USER MOD reduce.3.24.130724 H: found=0, std=0, add=520, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 520 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 18 TYR OH : rot 55:sc= 0.543 USER MOD Set 1.2: A 53 THR OG1 : rot -74:sc= 1.84 USER MOD Single : A 1 ALA N :NH3+ 140:sc= 0.0531 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0.16 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= -0.876 K(o=-0.88,f=-2.1) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot -120:sc= -0.0306 USER MOD Single : A 22 HIS : no HD1:sc= -0.164 K(o=-0.16,f=-2) USER MOD Single : A 23 ASN : amide:sc= -3.81 K(o=-3.8,f=-14!) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.403 USER MOD Single : A 35 TYR OH : rot 130:sc= -0.934 USER MOD Single : A 36 THR OG1 : rot 58:sc= 0.189 USER MOD Single : A 37 HIS :FLIP no HD1:sc= 0 F(o=-0.84,f=0) USER MOD Single : A 39 GLN : amide:sc= -0.231 X(o=-0.23,f=-0.59) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot -81:sc= 1.27 USER MOD Single : A 62 ASN :FLIP amide:sc= -0.805 F(o=-2.5,f=-0.81) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= -2.14! USER MOD Single : A 74 THR OG1 : rot 180:sc= 0.0377 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 2.709 8.365 14.353 1.00 10.00 N ATOM 2 CA ALA A 1 2.657 9.726 13.770 1.00 10.00 C ATOM 3 C ALA A 1 1.723 9.776 12.568 1.00 10.00 C ATOM 4 O ALA A 1 1.505 8.764 11.901 1.00 10.00 O ATOM 5 CB ALA A 1 4.050 10.176 13.372 1.00 10.00 C ATOM 0 H1 ALA A 1 3.686 8.143 14.631 1.00 10.00 H new ATOM 0 H2 ALA A 1 2.093 8.322 15.190 1.00 10.00 H new ATOM 0 H3 ALA A 1 2.384 7.673 13.648 1.00 10.00 H new ATOM 0 HA ALA A 1 2.265 10.405 14.528 1.00 10.00 H new ATOM 0 HB1 ALA A 1 4.001 11.177 12.945 1.00 10.00 H new ATOM 0 HB2 ALA A 1 4.694 10.188 14.252 1.00 10.00 H new ATOM 0 HB3 ALA A 1 4.458 9.486 12.633 1.00 10.00 H new ATOM 13 N THR A 2 1.195 10.960 12.287 1.00 10.00 N ATOM 14 CA THR A 2 0.241 11.141 11.206 1.00 10.00 C ATOM 15 C THR A 2 0.886 10.952 9.835 1.00 10.00 C ATOM 16 O THR A 2 0.339 10.263 8.974 1.00 10.00 O ATOM 17 CB THR A 2 -0.405 12.536 11.283 1.00 10.00 C ATOM 18 OG1 THR A 2 0.380 13.388 12.131 1.00 10.00 O ATOM 19 CG2 THR A 2 -1.834 12.449 11.810 1.00 10.00 C ATOM 0 H THR A 2 1.415 11.815 12.799 1.00 10.00 H new ATOM 0 HA THR A 2 -0.526 10.376 11.327 1.00 10.00 H new ATOM 0 HB THR A 2 -0.439 12.956 10.278 1.00 10.00 H new ATOM 0 HG1 THR A 2 -0.033 14.275 12.176 1.00 10.00 H new ATOM 0 HG21 THR A 2 -2.267 13.448 11.854 1.00 10.00 H new ATOM 0 HG22 THR A 2 -2.430 11.825 11.144 1.00 10.00 H new ATOM 0 HG23 THR A 2 -1.828 12.012 12.808 1.00 10.00 H new ATOM 27 N GLY A 3 2.049 11.556 9.633 1.00 10.00 N ATOM 28 CA GLY A 3 2.709 11.467 8.346 1.00 10.00 C ATOM 29 C GLY A 3 4.029 10.728 8.415 1.00 10.00 C ATOM 30 O GLY A 3 5.037 11.203 7.898 1.00 10.00 O ATOM 0 H GLY A 3 2.546 12.104 10.335 1.00 10.00 H new ATOM 0 HA2 GLY A 3 2.051 10.961 7.639 1.00 10.00 H new ATOM 0 HA3 GLY A 3 2.880 12.472 7.960 1.00 10.00 H new ATOM 34 N SER A 4 4.027 9.565 9.045 1.00 10.00 N ATOM 35 CA SER A 4 5.239 8.763 9.151 1.00 10.00 C ATOM 36 C SER A 4 4.935 7.269 8.952 1.00 10.00 C ATOM 37 O SER A 4 5.109 6.464 9.866 1.00 10.00 O ATOM 38 CB SER A 4 5.893 9.013 10.517 1.00 10.00 C ATOM 39 OG SER A 4 7.174 8.418 10.607 1.00 10.00 O ATOM 0 H SER A 4 3.205 9.155 9.489 1.00 10.00 H new ATOM 0 HA SER A 4 5.931 9.059 8.363 1.00 10.00 H new ATOM 0 HB2 SER A 4 5.979 10.086 10.687 1.00 10.00 H new ATOM 0 HB3 SER A 4 5.252 8.616 11.304 1.00 10.00 H new ATOM 0 HG SER A 4 7.558 8.600 11.490 1.00 10.00 H new ATOM 45 N PRO A 5 4.438 6.884 7.761 1.00 10.00 N ATOM 46 CA PRO A 5 4.183 5.498 7.424 1.00 10.00 C ATOM 47 C PRO A 5 5.319 4.882 6.609 1.00 10.00 C ATOM 48 O PRO A 5 5.877 5.528 5.719 1.00 10.00 O ATOM 49 CB PRO A 5 2.918 5.607 6.580 1.00 10.00 C ATOM 50 CG PRO A 5 3.031 6.930 5.881 1.00 10.00 C ATOM 51 CD PRO A 5 4.045 7.761 6.650 1.00 10.00 C ATOM 0 HA PRO A 5 4.091 4.857 8.301 1.00 10.00 H new ATOM 0 HB2 PRO A 5 2.849 4.787 5.865 1.00 10.00 H new ATOM 0 HB3 PRO A 5 2.024 5.564 7.202 1.00 10.00 H new ATOM 0 HG2 PRO A 5 3.350 6.793 4.848 1.00 10.00 H new ATOM 0 HG3 PRO A 5 2.065 7.433 5.852 1.00 10.00 H new ATOM 0 HD2 PRO A 5 4.899 8.028 6.028 1.00 10.00 H new ATOM 0 HD3 PRO A 5 3.609 8.693 7.010 1.00 10.00 H new ATOM 59 N VAL A 6 5.644 3.629 6.921 1.00 10.00 N ATOM 60 CA VAL A 6 6.703 2.873 6.240 1.00 10.00 C ATOM 61 C VAL A 6 8.005 3.696 6.133 1.00 10.00 C ATOM 62 O VAL A 6 8.325 4.480 7.027 1.00 10.00 O ATOM 63 CB VAL A 6 6.240 2.337 4.834 1.00 10.00 C ATOM 64 CG1 VAL A 6 4.833 1.815 4.878 1.00 10.00 C ATOM 65 CG2 VAL A 6 6.341 3.354 3.723 1.00 10.00 C ATOM 0 H VAL A 6 5.178 3.102 7.659 1.00 10.00 H new ATOM 0 HA VAL A 6 6.915 1.999 6.856 1.00 10.00 H new ATOM 0 HB VAL A 6 6.937 1.530 4.608 1.00 10.00 H new ATOM 0 HG11 VAL A 6 4.548 1.454 3.890 1.00 10.00 H new ATOM 0 HG12 VAL A 6 4.771 0.997 5.596 1.00 10.00 H new ATOM 0 HG13 VAL A 6 4.157 2.615 5.181 1.00 10.00 H new ATOM 0 HG21 VAL A 6 6.004 2.906 2.788 1.00 10.00 H new ATOM 0 HG22 VAL A 6 5.716 4.215 3.960 1.00 10.00 H new ATOM 0 HG23 VAL A 6 7.377 3.676 3.618 1.00 10.00 H new ATOM 75 N ALA A 7 8.753 3.482 5.057 1.00 10.00 N ATOM 76 CA ALA A 7 9.972 4.221 4.743 1.00 10.00 C ATOM 77 C ALA A 7 9.767 5.748 4.672 1.00 10.00 C ATOM 78 O ALA A 7 10.723 6.486 4.440 1.00 10.00 O ATOM 79 CB ALA A 7 10.505 3.702 3.414 1.00 10.00 C ATOM 0 H ALA A 7 8.524 2.772 4.361 1.00 10.00 H new ATOM 0 HA ALA A 7 10.683 4.056 5.552 1.00 10.00 H new ATOM 0 HB1 ALA A 7 11.418 4.238 3.154 1.00 10.00 H new ATOM 0 HB2 ALA A 7 10.721 2.637 3.500 1.00 10.00 H new ATOM 0 HB3 ALA A 7 9.758 3.859 2.636 1.00 10.00 H new ATOM 85 N GLU A 8 8.521 6.203 4.849 1.00 10.00 N ATOM 86 CA GLU A 8 8.149 7.632 4.808 1.00 10.00 C ATOM 87 C GLU A 8 8.254 8.248 3.408 1.00 10.00 C ATOM 88 O GLU A 8 7.578 9.235 3.106 1.00 10.00 O ATOM 89 CB GLU A 8 8.970 8.442 5.811 1.00 10.00 C ATOM 90 CG GLU A 8 8.600 8.154 7.251 1.00 10.00 C ATOM 91 CD GLU A 8 9.295 9.075 8.227 1.00 10.00 C ATOM 92 OE1 GLU A 8 9.041 10.292 8.186 1.00 10.00 O ATOM 93 OE2 GLU A 8 10.076 8.580 9.063 1.00 10.00 O ATOM 0 H GLU A 8 7.729 5.586 5.027 1.00 10.00 H new ATOM 0 HA GLU A 8 7.097 7.676 5.089 1.00 10.00 H new ATOM 0 HB2 GLU A 8 10.028 8.226 5.664 1.00 10.00 H new ATOM 0 HB3 GLU A 8 8.831 9.505 5.612 1.00 10.00 H new ATOM 0 HG2 GLU A 8 7.521 8.251 7.371 1.00 10.00 H new ATOM 0 HG3 GLU A 8 8.855 7.121 7.488 1.00 10.00 H new ATOM 100 N CYS A 9 9.081 7.667 2.556 1.00 10.00 N ATOM 101 CA CYS A 9 9.281 8.186 1.211 1.00 10.00 C ATOM 102 C CYS A 9 8.159 7.744 0.277 1.00 10.00 C ATOM 103 O CYS A 9 7.979 8.305 -0.803 1.00 10.00 O ATOM 104 CB CYS A 9 10.609 7.694 0.648 1.00 10.00 C ATOM 105 SG CYS A 9 12.052 7.943 1.728 1.00 10.00 S ATOM 0 H CYS A 9 9.627 6.833 2.771 1.00 10.00 H new ATOM 0 HA CYS A 9 9.283 9.274 1.276 1.00 10.00 H new ATOM 0 HB2 CYS A 9 10.520 6.630 0.428 1.00 10.00 H new ATOM 0 HB3 CYS A 9 10.793 8.201 -0.299 1.00 10.00 H new ATOM 110 N VAL A 10 7.421 6.722 0.684 1.00 10.00 N ATOM 111 CA VAL A 10 6.368 6.178 -0.158 1.00 10.00 C ATOM 112 C VAL A 10 5.048 6.873 0.179 1.00 10.00 C ATOM 113 O VAL A 10 4.776 7.172 1.345 1.00 10.00 O ATOM 114 CB VAL A 10 6.250 4.630 -0.022 1.00 10.00 C ATOM 115 CG1 VAL A 10 7.470 4.054 0.682 1.00 10.00 C ATOM 116 CG2 VAL A 10 4.967 4.202 0.684 1.00 10.00 C ATOM 0 H VAL A 10 7.531 6.256 1.585 1.00 10.00 H new ATOM 0 HA VAL A 10 6.620 6.372 -1.201 1.00 10.00 H new ATOM 0 HB VAL A 10 6.206 4.227 -1.034 1.00 10.00 H new ATOM 0 HG11 VAL A 10 7.365 2.972 0.765 1.00 10.00 H new ATOM 0 HG12 VAL A 10 8.366 4.288 0.107 1.00 10.00 H new ATOM 0 HG13 VAL A 10 7.554 4.488 1.678 1.00 10.00 H new ATOM 0 HG21 VAL A 10 4.935 3.115 0.752 1.00 10.00 H new ATOM 0 HG22 VAL A 10 4.943 4.630 1.686 1.00 10.00 H new ATOM 0 HG23 VAL A 10 4.105 4.556 0.118 1.00 10.00 H new ATOM 126 N GLU A 11 4.243 7.139 -0.835 1.00 10.00 N ATOM 127 CA GLU A 11 3.045 7.945 -0.668 1.00 10.00 C ATOM 128 C GLU A 11 1.862 7.327 -1.407 1.00 10.00 C ATOM 129 O GLU A 11 1.889 7.216 -2.627 1.00 10.00 O ATOM 130 CB GLU A 11 3.319 9.356 -1.197 1.00 10.00 C ATOM 131 CG GLU A 11 2.110 10.276 -1.190 1.00 10.00 C ATOM 132 CD GLU A 11 2.447 11.646 -1.735 1.00 10.00 C ATOM 133 OE1 GLU A 11 2.980 12.477 -0.971 1.00 10.00 O ATOM 134 OE2 GLU A 11 2.208 11.885 -2.937 1.00 10.00 O ATOM 0 H GLU A 11 4.398 6.807 -1.787 1.00 10.00 H new ATOM 0 HA GLU A 11 2.790 7.988 0.391 1.00 10.00 H new ATOM 0 HB2 GLU A 11 4.108 9.809 -0.597 1.00 10.00 H new ATOM 0 HB3 GLU A 11 3.697 9.281 -2.217 1.00 10.00 H new ATOM 0 HG2 GLU A 11 1.312 9.833 -1.786 1.00 10.00 H new ATOM 0 HG3 GLU A 11 1.732 10.372 -0.172 1.00 10.00 H new ATOM 141 N TYR A 12 0.841 6.894 -0.676 1.00 10.00 N ATOM 142 CA TYR A 12 -0.351 6.340 -1.318 1.00 10.00 C ATOM 143 C TYR A 12 -1.455 7.375 -1.514 1.00 10.00 C ATOM 144 O TYR A 12 -1.439 8.461 -0.924 1.00 10.00 O ATOM 145 CB TYR A 12 -0.903 5.106 -0.575 1.00 10.00 C ATOM 146 CG TYR A 12 -1.362 5.307 0.870 1.00 10.00 C ATOM 147 CD1 TYR A 12 -1.618 6.565 1.415 1.00 10.00 C ATOM 148 CD2 TYR A 12 -1.537 4.201 1.691 1.00 10.00 C ATOM 149 CE1 TYR A 12 -2.027 6.704 2.729 1.00 10.00 C ATOM 150 CE2 TYR A 12 -1.943 4.333 3.001 1.00 10.00 C ATOM 151 CZ TYR A 12 -2.185 5.585 3.517 1.00 10.00 C ATOM 152 OH TYR A 12 -2.585 5.718 4.827 1.00 10.00 O ATOM 0 H TYR A 12 0.811 6.913 0.343 1.00 10.00 H new ATOM 0 HA TYR A 12 -0.019 6.020 -2.305 1.00 10.00 H new ATOM 0 HB2 TYR A 12 -1.746 4.717 -1.146 1.00 10.00 H new ATOM 0 HB3 TYR A 12 -0.132 4.336 -0.580 1.00 10.00 H new ATOM 0 HD1 TYR A 12 -1.495 7.445 0.801 1.00 10.00 H new ATOM 0 HD2 TYR A 12 -1.351 3.214 1.293 1.00 10.00 H new ATOM 0 HE1 TYR A 12 -2.222 7.685 3.135 1.00 10.00 H new ATOM 0 HE2 TYR A 12 -2.071 3.457 3.620 1.00 10.00 H new ATOM 0 HH TYR A 12 -2.649 4.832 5.241 1.00 10.00 H new ATOM 162 N PHE A 13 -2.403 7.007 -2.361 1.00 10.00 N ATOM 163 CA PHE A 13 -3.620 7.763 -2.582 1.00 10.00 C ATOM 164 C PHE A 13 -4.727 6.758 -2.901 1.00 10.00 C ATOM 165 O PHE A 13 -4.446 5.564 -3.031 1.00 10.00 O ATOM 166 CB PHE A 13 -3.430 8.768 -3.729 1.00 10.00 C ATOM 167 CG PHE A 13 -4.514 9.807 -3.821 1.00 10.00 C ATOM 168 CD1 PHE A 13 -4.746 10.672 -2.766 1.00 10.00 C ATOM 169 CD2 PHE A 13 -5.294 9.923 -4.962 1.00 10.00 C ATOM 170 CE1 PHE A 13 -5.739 11.631 -2.844 1.00 10.00 C ATOM 171 CE2 PHE A 13 -6.287 10.880 -5.046 1.00 10.00 C ATOM 172 CZ PHE A 13 -6.510 11.734 -3.984 1.00 10.00 C ATOM 0 H PHE A 13 -2.345 6.158 -2.923 1.00 10.00 H new ATOM 0 HA PHE A 13 -3.884 8.342 -1.697 1.00 10.00 H new ATOM 0 HB2 PHE A 13 -2.471 9.270 -3.603 1.00 10.00 H new ATOM 0 HB3 PHE A 13 -3.383 8.223 -4.672 1.00 10.00 H new ATOM 0 HD1 PHE A 13 -4.145 10.597 -1.872 1.00 10.00 H new ATOM 0 HD2 PHE A 13 -5.123 9.257 -5.795 1.00 10.00 H new ATOM 0 HE1 PHE A 13 -5.911 12.299 -2.013 1.00 10.00 H new ATOM 0 HE2 PHE A 13 -6.887 10.960 -5.940 1.00 10.00 H new ATOM 0 HZ PHE A 13 -7.287 12.482 -4.045 1.00 10.00 H new ATOM 182 N GLN A 14 -5.969 7.205 -2.996 1.00 10.00 N ATOM 183 CA GLN A 14 -7.065 6.298 -3.301 1.00 10.00 C ATOM 184 C GLN A 14 -7.807 6.744 -4.557 1.00 10.00 C ATOM 185 O GLN A 14 -8.212 7.899 -4.679 1.00 10.00 O ATOM 186 CB GLN A 14 -8.035 6.169 -2.109 1.00 10.00 C ATOM 187 CG GLN A 14 -8.881 7.406 -1.809 1.00 10.00 C ATOM 188 CD GLN A 14 -8.079 8.595 -1.301 1.00 10.00 C ATOM 189 OE1 GLN A 14 -7.037 8.435 -0.668 1.00 10.00 O ATOM 190 NE2 GLN A 14 -8.566 9.799 -1.566 1.00 10.00 N ATOM 0 H GLN A 14 -6.242 8.179 -2.868 1.00 10.00 H new ATOM 0 HA GLN A 14 -6.637 5.314 -3.489 1.00 10.00 H new ATOM 0 HB2 GLN A 14 -8.705 5.330 -2.298 1.00 10.00 H new ATOM 0 HB3 GLN A 14 -7.457 5.921 -1.219 1.00 10.00 H new ATOM 0 HG2 GLN A 14 -9.412 7.699 -2.715 1.00 10.00 H new ATOM 0 HG3 GLN A 14 -9.636 7.146 -1.067 1.00 10.00 H new ATOM 0 HE21 GLN A 14 -9.434 9.893 -2.094 1.00 10.00 H new ATOM 0 HE22 GLN A 14 -8.073 10.631 -1.242 1.00 10.00 H new ATOM 199 N SER A 15 -7.967 5.825 -5.497 1.00 10.00 N ATOM 200 CA SER A 15 -8.694 6.117 -6.720 1.00 10.00 C ATOM 201 C SER A 15 -9.356 4.855 -7.270 1.00 10.00 C ATOM 202 O SER A 15 -8.751 4.116 -8.040 1.00 10.00 O ATOM 203 CB SER A 15 -7.758 6.735 -7.764 1.00 10.00 C ATOM 204 OG SER A 15 -8.483 7.214 -8.886 1.00 10.00 O ATOM 0 H SER A 15 -7.604 4.874 -5.436 1.00 10.00 H new ATOM 0 HA SER A 15 -9.478 6.838 -6.490 1.00 10.00 H new ATOM 0 HB2 SER A 15 -7.197 7.554 -7.314 1.00 10.00 H new ATOM 0 HB3 SER A 15 -7.030 5.991 -8.089 1.00 10.00 H new ATOM 0 HG SER A 15 -7.861 7.604 -9.535 1.00 10.00 H new ATOM 210 N TRP A 16 -10.594 4.614 -6.834 1.00 10.00 N ATOM 211 CA TRP A 16 -11.406 3.485 -7.302 1.00 10.00 C ATOM 212 C TRP A 16 -10.690 2.141 -7.121 1.00 10.00 C ATOM 213 O TRP A 16 -10.095 1.606 -8.053 1.00 10.00 O ATOM 214 CB TRP A 16 -11.823 3.688 -8.768 1.00 10.00 C ATOM 215 CG TRP A 16 -12.813 2.671 -9.255 1.00 10.00 C ATOM 216 CD1 TRP A 16 -14.110 2.534 -8.848 1.00 10.00 C ATOM 217 CD2 TRP A 16 -12.590 1.652 -10.239 1.00 10.00 C ATOM 218 NE1 TRP A 16 -14.705 1.489 -9.511 1.00 10.00 N ATOM 219 CE2 TRP A 16 -13.794 0.935 -10.373 1.00 10.00 C ATOM 220 CE3 TRP A 16 -11.490 1.275 -11.022 1.00 10.00 C ATOM 221 CZ2 TRP A 16 -13.929 -0.134 -11.256 1.00 10.00 C ATOM 222 CZ3 TRP A 16 -11.628 0.213 -11.897 1.00 10.00 C ATOM 223 CH2 TRP A 16 -12.839 -0.481 -12.008 1.00 10.00 C ATOM 0 H TRP A 16 -11.065 5.198 -6.143 1.00 10.00 H new ATOM 0 HA TRP A 16 -12.303 3.455 -6.684 1.00 10.00 H new ATOM 0 HB2 TRP A 16 -12.252 4.684 -8.881 1.00 10.00 H new ATOM 0 HB3 TRP A 16 -10.935 3.650 -9.399 1.00 10.00 H new ATOM 0 HD1 TRP A 16 -14.596 3.157 -8.112 1.00 10.00 H new ATOM 0 HE1 TRP A 16 -15.667 1.176 -9.383 1.00 10.00 H new ATOM 0 HE3 TRP A 16 -10.552 1.804 -10.943 1.00 10.00 H new ATOM 0 HZ2 TRP A 16 -14.862 -0.671 -11.344 1.00 10.00 H new ATOM 0 HZ3 TRP A 16 -10.787 -0.086 -12.505 1.00 10.00 H new ATOM 0 HH2 TRP A 16 -12.915 -1.306 -12.701 1.00 10.00 H new ATOM 234 N ARG A 17 -10.730 1.626 -5.889 1.00 10.00 N ATOM 235 CA ARG A 17 -10.210 0.291 -5.566 1.00 10.00 C ATOM 236 C ARG A 17 -8.718 0.167 -5.907 1.00 10.00 C ATOM 237 O ARG A 17 -8.199 -0.934 -6.099 1.00 10.00 O ATOM 238 CB ARG A 17 -11.026 -0.780 -6.308 1.00 10.00 C ATOM 239 CG ARG A 17 -11.019 -2.140 -5.627 1.00 10.00 C ATOM 240 CD ARG A 17 -12.022 -3.091 -6.262 1.00 10.00 C ATOM 241 NE ARG A 17 -11.566 -3.625 -7.548 1.00 10.00 N ATOM 242 CZ ARG A 17 -12.369 -4.219 -8.438 1.00 10.00 C ATOM 243 NH1 ARG A 17 -13.683 -4.234 -8.245 1.00 10.00 N ATOM 244 NH2 ARG A 17 -11.863 -4.766 -9.539 1.00 10.00 N ATOM 0 H ARG A 17 -11.123 2.120 -5.088 1.00 10.00 H new ATOM 0 HA ARG A 17 -10.311 0.138 -4.492 1.00 10.00 H new ATOM 0 HB2 ARG A 17 -12.056 -0.437 -6.403 1.00 10.00 H new ATOM 0 HB3 ARG A 17 -10.632 -0.888 -7.318 1.00 10.00 H new ATOM 0 HG2 ARG A 17 -10.020 -2.572 -5.686 1.00 10.00 H new ATOM 0 HG3 ARG A 17 -11.252 -2.019 -4.569 1.00 10.00 H new ATOM 0 HD2 ARG A 17 -12.214 -3.918 -5.578 1.00 10.00 H new ATOM 0 HD3 ARG A 17 -12.969 -2.570 -6.406 1.00 10.00 H new ATOM 0 HE ARG A 17 -10.576 -3.539 -7.779 1.00 10.00 H new ATOM 0 HH11 ARG A 17 -14.082 -3.792 -7.417 1.00 10.00 H new ATOM 0 HH12 ARG A 17 -14.293 -4.687 -8.925 1.00 10.00 H new ATOM 0 HH21 ARG A 17 -10.858 -4.734 -9.709 1.00 10.00 H new ATOM 0 HH22 ARG A 17 -12.480 -5.218 -10.214 1.00 10.00 H new ATOM 258 N TYR A 18 -8.026 1.300 -5.930 1.00 10.00 N ATOM 259 CA TYR A 18 -6.621 1.344 -6.302 1.00 10.00 C ATOM 260 C TYR A 18 -5.880 2.288 -5.370 1.00 10.00 C ATOM 261 O TYR A 18 -5.948 3.505 -5.533 1.00 10.00 O ATOM 262 CB TYR A 18 -6.480 1.851 -7.738 1.00 10.00 C ATOM 263 CG TYR A 18 -5.395 1.190 -8.562 1.00 10.00 C ATOM 264 CD1 TYR A 18 -4.056 1.486 -8.320 1.00 10.00 C ATOM 265 CD2 TYR A 18 -5.685 0.268 -9.569 1.00 10.00 C ATOM 266 CE1 TYR A 18 -3.047 0.892 -9.050 1.00 10.00 C ATOM 267 CE2 TYR A 18 -4.677 -0.325 -10.299 1.00 10.00 C ATOM 268 CZ TYR A 18 -3.438 -0.038 -10.116 1.00 10.00 C ATOM 269 OH TYR A 18 -2.363 -0.605 -10.774 1.00 10.00 O ATOM 0 H TYR A 18 -8.423 2.209 -5.692 1.00 10.00 H new ATOM 0 HA TYR A 18 -6.201 0.341 -6.226 1.00 10.00 H new ATOM 0 HB2 TYR A 18 -7.433 1.713 -8.248 1.00 10.00 H new ATOM 0 HB3 TYR A 18 -6.286 2.923 -7.708 1.00 10.00 H new ATOM 0 HD1 TYR A 18 -3.802 2.195 -7.545 1.00 10.00 H new ATOM 0 HD2 TYR A 18 -6.714 0.016 -9.779 1.00 10.00 H new ATOM 0 HE1 TYR A 18 -2.008 1.104 -8.845 1.00 10.00 H new ATOM 0 HE2 TYR A 18 -4.938 -1.056 -11.050 1.00 10.00 H new ATOM 0 HH TYR A 18 -1.772 -1.037 -10.123 1.00 10.00 H new ATOM 279 N THR A 19 -5.247 1.738 -4.359 1.00 10.00 N ATOM 280 CA THR A 19 -4.400 2.513 -3.483 1.00 10.00 C ATOM 281 C THR A 19 -2.975 2.540 -4.032 1.00 10.00 C ATOM 282 O THR A 19 -2.229 1.563 -3.922 1.00 10.00 O ATOM 283 CB THR A 19 -4.472 1.944 -2.049 1.00 10.00 C ATOM 284 OG1 THR A 19 -5.718 2.330 -1.461 1.00 10.00 O ATOM 285 CG2 THR A 19 -3.321 2.405 -1.161 1.00 10.00 C ATOM 0 H THR A 19 -5.304 0.748 -4.122 1.00 10.00 H new ATOM 0 HA THR A 19 -4.749 3.545 -3.439 1.00 10.00 H new ATOM 0 HB THR A 19 -4.392 0.860 -2.124 1.00 10.00 H new ATOM 0 HG1 THR A 19 -5.549 2.862 -0.655 1.00 10.00 H new ATOM 0 HG21 THR A 19 -3.431 1.970 -0.168 1.00 10.00 H new ATOM 0 HG22 THR A 19 -2.375 2.083 -1.595 1.00 10.00 H new ATOM 0 HG23 THR A 19 -3.334 3.492 -1.084 1.00 10.00 H new ATOM 293 N ASP A 20 -2.649 3.647 -4.693 1.00 10.00 N ATOM 294 CA ASP A 20 -1.348 3.844 -5.321 1.00 10.00 C ATOM 295 C ASP A 20 -0.316 4.364 -4.345 1.00 10.00 C ATOM 296 O ASP A 20 -0.375 5.515 -3.936 1.00 10.00 O ATOM 297 CB ASP A 20 -1.448 4.829 -6.494 1.00 10.00 C ATOM 298 CG ASP A 20 -2.227 6.099 -6.173 1.00 10.00 C ATOM 299 OD1 ASP A 20 -3.466 6.027 -6.047 1.00 10.00 O ATOM 300 OD2 ASP A 20 -1.602 7.181 -6.078 1.00 10.00 O ATOM 0 H ASP A 20 -3.284 4.437 -4.808 1.00 10.00 H new ATOM 0 HA ASP A 20 -1.031 2.865 -5.680 1.00 10.00 H new ATOM 0 HB2 ASP A 20 -0.442 5.103 -6.812 1.00 10.00 H new ATOM 0 HB3 ASP A 20 -1.923 4.327 -7.337 1.00 10.00 H new ATOM 305 N VAL A 21 0.647 3.530 -3.997 1.00 10.00 N ATOM 306 CA VAL A 21 1.750 3.978 -3.169 1.00 10.00 C ATOM 307 C VAL A 21 2.967 4.216 -4.041 1.00 10.00 C ATOM 308 O VAL A 21 3.542 3.298 -4.622 1.00 10.00 O ATOM 309 CB VAL A 21 2.055 3.039 -1.962 1.00 10.00 C ATOM 310 CG1 VAL A 21 1.204 1.785 -1.993 1.00 10.00 C ATOM 311 CG2 VAL A 21 3.528 2.686 -1.860 1.00 10.00 C ATOM 0 H VAL A 21 0.688 2.549 -4.272 1.00 10.00 H new ATOM 0 HA VAL A 21 1.453 4.919 -2.705 1.00 10.00 H new ATOM 0 HB VAL A 21 1.792 3.602 -1.067 1.00 10.00 H new ATOM 0 HG11 VAL A 21 1.448 1.158 -1.135 1.00 10.00 H new ATOM 0 HG12 VAL A 21 0.150 2.060 -1.954 1.00 10.00 H new ATOM 0 HG13 VAL A 21 1.401 1.234 -2.912 1.00 10.00 H new ATOM 0 HG21 VAL A 21 3.687 2.031 -1.004 1.00 10.00 H new ATOM 0 HG22 VAL A 21 3.844 2.176 -2.770 1.00 10.00 H new ATOM 0 HG23 VAL A 21 4.113 3.597 -1.733 1.00 10.00 H new ATOM 321 N HIS A 22 3.272 5.488 -4.192 1.00 10.00 N ATOM 322 CA HIS A 22 4.411 5.935 -4.967 1.00 10.00 C ATOM 323 C HIS A 22 5.575 6.285 -4.049 1.00 10.00 C ATOM 324 O HIS A 22 5.514 7.256 -3.300 1.00 10.00 O ATOM 325 CB HIS A 22 4.038 7.131 -5.875 1.00 10.00 C ATOM 326 CG HIS A 22 2.768 7.860 -5.518 1.00 10.00 C ATOM 327 ND1 HIS A 22 2.724 9.149 -5.025 1.00 10.00 N ATOM 328 CD2 HIS A 22 1.478 7.467 -5.638 1.00 10.00 C ATOM 329 CE1 HIS A 22 1.460 9.508 -4.860 1.00 10.00 C ATOM 330 NE2 HIS A 22 0.689 8.503 -5.226 1.00 10.00 N ATOM 0 H HIS A 22 2.732 6.247 -3.777 1.00 10.00 H new ATOM 0 HA HIS A 22 4.721 5.117 -5.617 1.00 10.00 H new ATOM 0 HB2 HIS A 22 4.861 7.846 -5.857 1.00 10.00 H new ATOM 0 HB3 HIS A 22 3.951 6.770 -6.900 1.00 10.00 H new ATOM 0 HD2 HIS A 22 1.135 6.507 -5.995 1.00 10.00 H new ATOM 0 HE1 HIS A 22 1.118 10.463 -4.488 1.00 10.00 H new ATOM 0 HE2 HIS A 22 -0.331 8.500 -5.205 1.00 10.00 H new ATOM 339 N ASN A 23 6.620 5.470 -4.096 1.00 10.00 N ATOM 340 CA ASN A 23 7.805 5.689 -3.271 1.00 10.00 C ATOM 341 C ASN A 23 8.720 6.756 -3.891 1.00 10.00 C ATOM 342 O ASN A 23 8.676 6.991 -5.092 1.00 10.00 O ATOM 343 CB ASN A 23 8.582 4.372 -3.101 1.00 10.00 C ATOM 344 CG ASN A 23 9.922 4.547 -2.401 1.00 10.00 C ATOM 345 OD1 ASN A 23 10.046 5.302 -1.440 1.00 10.00 O ATOM 346 ND2 ASN A 23 10.944 3.867 -2.898 1.00 10.00 N ATOM 0 H ASN A 23 6.673 4.648 -4.698 1.00 10.00 H new ATOM 0 HA ASN A 23 7.476 6.044 -2.294 1.00 10.00 H new ATOM 0 HB2 ASN A 23 7.972 3.670 -2.532 1.00 10.00 H new ATOM 0 HB3 ASN A 23 8.748 3.928 -4.082 1.00 10.00 H new ATOM 0 HD21 ASN A 23 11.870 3.962 -2.482 1.00 10.00 H new ATOM 0 HD22 ASN A 23 10.805 3.249 -3.697 1.00 10.00 H new ATOM 353 N GLY A 24 9.536 7.403 -3.064 1.00 10.00 N ATOM 354 CA GLY A 24 10.571 8.290 -3.569 1.00 10.00 C ATOM 355 C GLY A 24 11.805 8.283 -2.682 1.00 10.00 C ATOM 356 O GLY A 24 12.500 9.284 -2.565 1.00 10.00 O ATOM 0 H GLY A 24 9.499 7.328 -2.047 1.00 10.00 H new ATOM 0 HA2 GLY A 24 10.848 7.987 -4.579 1.00 10.00 H new ATOM 0 HA3 GLY A 24 10.178 9.305 -3.637 1.00 10.00 H new ATOM 360 N CYS A 25 12.069 7.139 -2.045 1.00 10.00 N ATOM 361 CA CYS A 25 13.216 6.992 -1.145 1.00 10.00 C ATOM 362 C CYS A 25 14.512 6.823 -1.931 1.00 10.00 C ATOM 363 O CYS A 25 15.598 7.013 -1.387 1.00 10.00 O ATOM 364 CB CYS A 25 13.015 5.792 -0.218 1.00 10.00 C ATOM 365 SG CYS A 25 13.054 6.183 1.567 1.00 10.00 S ATOM 0 H CYS A 25 11.501 6.297 -2.137 1.00 10.00 H new ATOM 0 HA CYS A 25 13.290 7.900 -0.547 1.00 10.00 H new ATOM 0 HB2 CYS A 25 12.057 5.327 -0.452 1.00 10.00 H new ATOM 0 HB3 CYS A 25 13.788 5.054 -0.430 1.00 10.00 H new ATOM 370 N ALA A 26 14.354 6.445 -3.204 1.00 10.00 N ATOM 371 CA ALA A 26 15.462 6.214 -4.149 1.00 10.00 C ATOM 372 C ALA A 26 15.955 4.775 -4.083 1.00 10.00 C ATOM 373 O ALA A 26 16.635 4.305 -4.995 1.00 10.00 O ATOM 374 CB ALA A 26 16.621 7.178 -3.950 1.00 10.00 C ATOM 0 H ALA A 26 13.436 6.287 -3.619 1.00 10.00 H new ATOM 0 HA ALA A 26 15.054 6.402 -5.142 1.00 10.00 H new ATOM 0 HB1 ALA A 26 17.405 6.958 -4.674 1.00 10.00 H new ATOM 0 HB2 ALA A 26 16.272 8.201 -4.092 1.00 10.00 H new ATOM 0 HB3 ALA A 26 17.018 7.067 -2.941 1.00 10.00 H new ATOM 380 N ASP A 27 15.628 4.076 -3.007 1.00 10.00 N ATOM 381 CA ASP A 27 15.949 2.662 -2.899 1.00 10.00 C ATOM 382 C ASP A 27 14.679 1.846 -2.720 1.00 10.00 C ATOM 383 O ASP A 27 13.625 2.380 -2.356 1.00 10.00 O ATOM 384 CB ASP A 27 16.925 2.400 -1.741 1.00 10.00 C ATOM 385 CG ASP A 27 16.305 2.588 -0.366 1.00 10.00 C ATOM 386 OD1 ASP A 27 15.583 3.594 -0.177 1.00 10.00 O ATOM 387 OD2 ASP A 27 16.516 1.728 0.516 1.00 10.00 O ATOM 0 H ASP A 27 15.142 4.464 -2.198 1.00 10.00 H new ATOM 0 HA ASP A 27 16.438 2.354 -3.823 1.00 10.00 H new ATOM 0 HB2 ASP A 27 17.306 1.382 -1.822 1.00 10.00 H new ATOM 0 HB3 ASP A 27 17.780 3.069 -1.839 1.00 10.00 H new ATOM 392 N ALA A 28 14.776 0.566 -3.041 1.00 10.00 N ATOM 393 CA ALA A 28 13.667 -0.366 -2.883 1.00 10.00 C ATOM 394 C ALA A 28 13.328 -0.567 -1.411 1.00 10.00 C ATOM 395 O ALA A 28 14.180 -0.958 -0.612 1.00 10.00 O ATOM 396 CB ALA A 28 14.006 -1.701 -3.529 1.00 10.00 C ATOM 0 H ALA A 28 15.624 0.142 -3.418 1.00 10.00 H new ATOM 0 HA ALA A 28 12.794 0.058 -3.379 1.00 10.00 H new ATOM 0 HB1 ALA A 28 13.169 -2.389 -3.404 1.00 10.00 H new ATOM 0 HB2 ALA A 28 14.198 -1.553 -4.592 1.00 10.00 H new ATOM 0 HB3 ALA A 28 14.894 -2.120 -3.055 1.00 10.00 H new ATOM 402 N VAL A 29 12.079 -0.308 -1.058 1.00 10.00 N ATOM 403 CA VAL A 29 11.634 -0.482 0.315 1.00 10.00 C ATOM 404 C VAL A 29 10.402 -1.356 0.381 1.00 10.00 C ATOM 405 O VAL A 29 9.495 -1.231 -0.431 1.00 10.00 O ATOM 406 CB VAL A 29 11.337 0.853 1.033 1.00 10.00 C ATOM 407 CG1 VAL A 29 12.592 1.703 1.154 1.00 10.00 C ATOM 408 CG2 VAL A 29 10.238 1.630 0.328 1.00 10.00 C ATOM 0 H VAL A 29 11.358 0.022 -1.700 1.00 10.00 H new ATOM 0 HA VAL A 29 12.465 -0.963 0.832 1.00 10.00 H new ATOM 0 HB VAL A 29 10.989 0.609 2.037 1.00 10.00 H new ATOM 0 HG11 VAL A 29 12.352 2.636 1.663 1.00 10.00 H new ATOM 0 HG12 VAL A 29 13.345 1.161 1.726 1.00 10.00 H new ATOM 0 HG13 VAL A 29 12.980 1.922 0.159 1.00 10.00 H new ATOM 0 HG21 VAL A 29 10.054 2.564 0.859 1.00 10.00 H new ATOM 0 HG22 VAL A 29 10.546 1.849 -0.695 1.00 10.00 H new ATOM 0 HG23 VAL A 29 9.325 1.036 0.313 1.00 10.00 H new ATOM 418 N SER A 30 10.369 -2.235 1.355 1.00 10.00 N ATOM 419 CA SER A 30 9.249 -3.128 1.516 1.00 10.00 C ATOM 420 C SER A 30 8.188 -2.456 2.358 1.00 10.00 C ATOM 421 O SER A 30 8.439 -2.038 3.481 1.00 10.00 O ATOM 422 CB SER A 30 9.724 -4.429 2.147 1.00 10.00 C ATOM 423 OG SER A 30 10.874 -4.916 1.475 1.00 10.00 O ATOM 0 H SER A 30 11.108 -2.350 2.049 1.00 10.00 H new ATOM 0 HA SER A 30 8.812 -3.364 0.546 1.00 10.00 H new ATOM 0 HB2 SER A 30 9.952 -4.267 3.200 1.00 10.00 H new ATOM 0 HB3 SER A 30 8.928 -5.173 2.104 1.00 10.00 H new ATOM 0 HG SER A 30 11.168 -5.752 1.894 1.00 10.00 H new ATOM 429 N VAL A 31 7.024 -2.293 1.771 1.00 10.00 N ATOM 430 CA VAL A 31 5.913 -1.671 2.442 1.00 10.00 C ATOM 431 C VAL A 31 4.774 -2.667 2.628 1.00 10.00 C ATOM 432 O VAL A 31 4.647 -3.631 1.887 1.00 10.00 O ATOM 433 CB VAL A 31 5.415 -0.428 1.655 1.00 10.00 C ATOM 434 CG1 VAL A 31 6.577 0.272 0.949 1.00 10.00 C ATOM 435 CG2 VAL A 31 4.312 -0.795 0.658 1.00 10.00 C ATOM 0 H VAL A 31 6.824 -2.589 0.815 1.00 10.00 H new ATOM 0 HA VAL A 31 6.254 -1.342 3.424 1.00 10.00 H new ATOM 0 HB VAL A 31 4.986 0.266 2.377 1.00 10.00 H new ATOM 0 HG11 VAL A 31 6.203 1.139 0.405 1.00 10.00 H new ATOM 0 HG12 VAL A 31 7.310 0.596 1.688 1.00 10.00 H new ATOM 0 HG13 VAL A 31 7.048 -0.419 0.250 1.00 10.00 H new ATOM 0 HG21 VAL A 31 3.989 0.100 0.127 1.00 10.00 H new ATOM 0 HG22 VAL A 31 4.695 -1.523 -0.057 1.00 10.00 H new ATOM 0 HG23 VAL A 31 3.465 -1.224 1.194 1.00 10.00 H new ATOM 445 N THR A 32 3.981 -2.437 3.639 1.00 10.00 N ATOM 446 CA THR A 32 2.797 -3.229 3.917 1.00 10.00 C ATOM 447 C THR A 32 1.637 -2.283 4.232 1.00 10.00 C ATOM 448 O THR A 32 1.864 -1.125 4.568 1.00 10.00 O ATOM 449 CB THR A 32 3.025 -4.242 5.088 1.00 10.00 C ATOM 450 OG1 THR A 32 1.860 -4.346 5.908 1.00 10.00 O ATOM 451 CG2 THR A 32 4.205 -3.866 5.960 1.00 10.00 C ATOM 0 H THR A 32 4.135 -1.683 4.308 1.00 10.00 H new ATOM 0 HA THR A 32 2.562 -3.826 3.036 1.00 10.00 H new ATOM 0 HB THR A 32 3.238 -5.203 4.619 1.00 10.00 H new ATOM 0 HG1 THR A 32 2.025 -4.986 6.632 1.00 10.00 H new ATOM 0 HG21 THR A 32 4.318 -4.602 6.756 1.00 10.00 H new ATOM 0 HG22 THR A 32 5.112 -3.843 5.355 1.00 10.00 H new ATOM 0 HG23 THR A 32 4.036 -2.882 6.397 1.00 10.00 H new ATOM 459 N VAL A 33 0.405 -2.761 4.107 1.00 10.00 N ATOM 460 CA VAL A 33 -0.770 -1.931 4.339 1.00 10.00 C ATOM 461 C VAL A 33 -1.769 -2.671 5.190 1.00 10.00 C ATOM 462 O VAL A 33 -1.967 -3.873 5.028 1.00 10.00 O ATOM 463 CB VAL A 33 -1.463 -1.505 3.027 1.00 10.00 C ATOM 464 CG1 VAL A 33 -1.237 -0.035 2.754 1.00 10.00 C ATOM 465 CG2 VAL A 33 -0.964 -2.342 1.864 1.00 10.00 C ATOM 0 H VAL A 33 0.193 -3.724 3.845 1.00 10.00 H new ATOM 0 HA VAL A 33 -0.420 -1.033 4.848 1.00 10.00 H new ATOM 0 HB VAL A 33 -2.534 -1.672 3.139 1.00 10.00 H new ATOM 0 HG11 VAL A 33 -1.734 0.243 1.825 1.00 10.00 H new ATOM 0 HG12 VAL A 33 -1.646 0.555 3.575 1.00 10.00 H new ATOM 0 HG13 VAL A 33 -0.168 0.158 2.666 1.00 10.00 H new ATOM 0 HG21 VAL A 33 -1.464 -2.027 0.948 1.00 10.00 H new ATOM 0 HG22 VAL A 33 0.112 -2.208 1.755 1.00 10.00 H new ATOM 0 HG23 VAL A 33 -1.181 -3.393 2.053 1.00 10.00 H new ATOM 475 N GLU A 34 -2.410 -1.950 6.082 1.00 10.00 N ATOM 476 CA GLU A 34 -3.375 -2.564 6.977 1.00 10.00 C ATOM 477 C GLU A 34 -4.760 -2.022 6.645 1.00 10.00 C ATOM 478 O GLU A 34 -4.983 -0.808 6.674 1.00 10.00 O ATOM 479 CB GLU A 34 -2.999 -2.311 8.447 1.00 10.00 C ATOM 480 CG GLU A 34 -3.048 -3.557 9.327 1.00 10.00 C ATOM 481 CD GLU A 34 -4.451 -4.073 9.559 1.00 10.00 C ATOM 482 OE1 GLU A 34 -4.956 -4.830 8.701 1.00 10.00 O ATOM 483 OE2 GLU A 34 -5.055 -3.721 10.589 1.00 10.00 O ATOM 0 H GLU A 34 -2.285 -0.946 6.210 1.00 10.00 H new ATOM 0 HA GLU A 34 -3.375 -3.645 6.838 1.00 10.00 H new ATOM 0 HB2 GLU A 34 -1.994 -1.891 8.486 1.00 10.00 H new ATOM 0 HB3 GLU A 34 -3.674 -1.561 8.860 1.00 10.00 H new ATOM 0 HG2 GLU A 34 -2.451 -4.343 8.864 1.00 10.00 H new ATOM 0 HG3 GLU A 34 -2.588 -3.332 10.289 1.00 10.00 H new ATOM 490 N TYR A 35 -5.664 -2.920 6.272 1.00 10.00 N ATOM 491 CA TYR A 35 -6.980 -2.528 5.783 1.00 10.00 C ATOM 492 C TYR A 35 -8.023 -2.514 6.884 1.00 10.00 C ATOM 493 O TYR A 35 -7.834 -3.065 7.967 1.00 10.00 O ATOM 494 CB TYR A 35 -7.461 -3.464 4.666 1.00 10.00 C ATOM 495 CG TYR A 35 -6.477 -3.626 3.532 1.00 10.00 C ATOM 496 CD1 TYR A 35 -5.425 -4.532 3.614 1.00 10.00 C ATOM 497 CD2 TYR A 35 -6.600 -2.871 2.379 1.00 10.00 C ATOM 498 CE1 TYR A 35 -4.526 -4.674 2.577 1.00 10.00 C ATOM 499 CE2 TYR A 35 -5.705 -3.011 1.338 1.00 10.00 C ATOM 500 CZ TYR A 35 -4.674 -3.910 1.443 1.00 10.00 C ATOM 501 OH TYR A 35 -3.784 -4.043 0.408 1.00 10.00 O ATOM 0 H TYR A 35 -5.509 -3.928 6.299 1.00 10.00 H new ATOM 0 HA TYR A 35 -6.866 -1.516 5.395 1.00 10.00 H new ATOM 0 HB2 TYR A 35 -7.671 -4.444 5.093 1.00 10.00 H new ATOM 0 HB3 TYR A 35 -8.400 -3.082 4.266 1.00 10.00 H new ATOM 0 HD1 TYR A 35 -5.310 -5.134 4.503 1.00 10.00 H new ATOM 0 HD2 TYR A 35 -7.409 -2.161 2.292 1.00 10.00 H new ATOM 0 HE1 TYR A 35 -3.712 -5.380 2.655 1.00 10.00 H new ATOM 0 HE2 TYR A 35 -5.816 -2.415 0.444 1.00 10.00 H new ATOM 0 HH TYR A 35 -4.275 -4.165 -0.432 1.00 10.00 H new ATOM 511 N THR A 36 -9.130 -1.869 6.566 1.00 10.00 N ATOM 512 CA THR A 36 -10.316 -1.861 7.397 1.00 10.00 C ATOM 513 C THR A 36 -10.772 -3.282 7.786 1.00 10.00 C ATOM 514 O THR A 36 -11.352 -3.482 8.854 1.00 10.00 O ATOM 515 CB THR A 36 -11.453 -1.119 6.654 1.00 10.00 C ATOM 516 OG1 THR A 36 -11.125 0.268 6.536 1.00 10.00 O ATOM 517 CG2 THR A 36 -12.796 -1.264 7.360 1.00 10.00 C ATOM 0 H THR A 36 -9.230 -1.327 5.708 1.00 10.00 H new ATOM 0 HA THR A 36 -10.071 -1.343 8.324 1.00 10.00 H new ATOM 0 HB THR A 36 -11.548 -1.572 5.667 1.00 10.00 H new ATOM 0 HG1 THR A 36 -10.276 0.364 6.056 1.00 10.00 H new ATOM 0 HG21 THR A 36 -13.561 -0.726 6.800 1.00 10.00 H new ATOM 0 HG22 THR A 36 -13.064 -2.319 7.419 1.00 10.00 H new ATOM 0 HG23 THR A 36 -12.725 -0.851 8.366 1.00 10.00 H new ATOM 525 N HIS A 37 -10.484 -4.272 6.937 1.00 10.00 N ATOM 526 CA HIS A 37 -10.899 -5.648 7.219 1.00 10.00 C ATOM 527 C HIS A 37 -9.694 -6.532 7.542 1.00 10.00 C ATOM 528 O HIS A 37 -9.354 -6.715 8.708 1.00 10.00 O ATOM 529 CB HIS A 37 -11.702 -6.244 6.058 1.00 10.00 C ATOM 530 CG HIS A 37 -13.086 -5.688 5.931 1.00 10.00 C ATOM 531 ND1 HIS A 37 -13.554 -4.648 5.209 1.00 10.00 N flip ATOM 532 CD2 HIS A 37 -14.172 -6.206 6.597 1.00 10.00 C flip ATOM 533 CE1 HIS A 37 -14.900 -4.556 5.449 1.00 10.00 C flip ATOM 534 NE2 HIS A 37 -15.248 -5.510 6.291 1.00 10.00 N flip ATOM 0 H HIS A 37 -9.973 -4.150 6.062 1.00 10.00 H new ATOM 0 HA HIS A 37 -11.548 -5.615 8.094 1.00 10.00 H new ATOM 0 HB2 HIS A 37 -11.163 -6.067 5.127 1.00 10.00 H new ATOM 0 HB3 HIS A 37 -11.765 -7.324 6.189 1.00 10.00 H new ATOM 0 HD2 HIS A 37 -14.147 -7.052 7.267 1.00 10.00 H new ATOM 0 HE1 HIS A 37 -15.567 -3.823 5.019 1.00 10.00 H new ATOM 0 HE2 HIS A 37 -16.189 -5.680 6.645 1.00 10.00 H new ATOM 543 N GLY A 38 -9.053 -7.086 6.518 1.00 10.00 N ATOM 544 CA GLY A 38 -7.869 -7.894 6.753 1.00 10.00 C ATOM 545 C GLY A 38 -7.458 -8.712 5.545 1.00 10.00 C ATOM 546 O GLY A 38 -7.125 -9.891 5.670 1.00 10.00 O ATOM 0 H GLY A 38 -9.327 -6.992 5.540 1.00 10.00 H new ATOM 0 HA2 GLY A 38 -7.044 -7.243 7.041 1.00 10.00 H new ATOM 0 HA3 GLY A 38 -8.055 -8.564 7.592 1.00 10.00 H new ATOM 550 N GLN A 39 -7.493 -8.096 4.371 1.00 10.00 N ATOM 551 CA GLN A 39 -7.092 -8.774 3.140 1.00 10.00 C ATOM 552 C GLN A 39 -5.584 -8.978 3.107 1.00 10.00 C ATOM 553 O GLN A 39 -4.830 -8.149 3.619 1.00 10.00 O ATOM 554 CB GLN A 39 -7.540 -7.970 1.912 1.00 10.00 C ATOM 555 CG GLN A 39 -9.037 -8.029 1.667 1.00 10.00 C ATOM 556 CD GLN A 39 -9.526 -9.431 1.348 1.00 10.00 C ATOM 557 OE1 GLN A 39 -9.850 -10.206 2.244 1.00 10.00 O ATOM 558 NE2 GLN A 39 -9.604 -9.758 0.070 1.00 10.00 N ATOM 0 H GLN A 39 -7.794 -7.130 4.242 1.00 10.00 H new ATOM 0 HA GLN A 39 -7.577 -9.750 3.117 1.00 10.00 H new ATOM 0 HB2 GLN A 39 -7.241 -6.930 2.039 1.00 10.00 H new ATOM 0 HB3 GLN A 39 -7.020 -8.346 1.031 1.00 10.00 H new ATOM 0 HG2 GLN A 39 -9.560 -7.659 2.549 1.00 10.00 H new ATOM 0 HG3 GLN A 39 -9.292 -7.364 0.842 1.00 10.00 H new ATOM 0 HE21 GLN A 39 -9.326 -9.087 -0.646 1.00 10.00 H new ATOM 0 HE22 GLN A 39 -9.943 -10.681 -0.200 1.00 10.00 H new ATOM 567 N TRP A 40 -5.146 -10.080 2.514 1.00 10.00 N ATOM 568 CA TRP A 40 -3.724 -10.322 2.352 1.00 10.00 C ATOM 569 C TRP A 40 -3.186 -9.431 1.231 1.00 10.00 C ATOM 570 O TRP A 40 -3.847 -9.246 0.205 1.00 10.00 O ATOM 571 CB TRP A 40 -3.439 -11.808 2.083 1.00 10.00 C ATOM 572 CG TRP A 40 -3.894 -12.280 0.740 1.00 10.00 C ATOM 573 CD1 TRP A 40 -3.192 -12.198 -0.425 1.00 10.00 C ATOM 574 CD2 TRP A 40 -5.135 -12.920 0.420 1.00 10.00 C ATOM 575 NE1 TRP A 40 -3.924 -12.720 -1.454 1.00 10.00 N ATOM 576 CE2 TRP A 40 -5.122 -13.179 -0.965 1.00 10.00 C ATOM 577 CE3 TRP A 40 -6.256 -13.296 1.165 1.00 10.00 C ATOM 578 CZ2 TRP A 40 -6.187 -13.792 -1.618 1.00 10.00 C ATOM 579 CZ3 TRP A 40 -7.310 -13.908 0.515 1.00 10.00 C ATOM 580 CH2 TRP A 40 -7.269 -14.152 -0.863 1.00 10.00 C ATOM 0 H TRP A 40 -5.750 -10.813 2.141 1.00 10.00 H new ATOM 0 HA TRP A 40 -3.209 -10.069 3.279 1.00 10.00 H new ATOM 0 HB2 TRP A 40 -2.367 -11.984 2.175 1.00 10.00 H new ATOM 0 HB3 TRP A 40 -3.928 -12.406 2.852 1.00 10.00 H new ATOM 0 HD1 TRP A 40 -2.200 -11.781 -0.521 1.00 10.00 H new ATOM 0 HE1 TRP A 40 -3.628 -12.762 -2.429 1.00 10.00 H new ATOM 0 HE3 TRP A 40 -6.297 -13.112 2.228 1.00 10.00 H new ATOM 0 HZ2 TRP A 40 -6.160 -13.977 -2.682 1.00 10.00 H new ATOM 0 HZ3 TRP A 40 -8.182 -14.204 1.080 1.00 10.00 H new ATOM 0 HH2 TRP A 40 -8.109 -14.635 -1.340 1.00 10.00 H new ATOM 591 N ALA A 41 -1.987 -8.903 1.449 1.00 10.00 N ATOM 592 CA ALA A 41 -1.390 -7.845 0.625 1.00 10.00 C ATOM 593 C ALA A 41 -0.261 -7.136 1.383 1.00 10.00 C ATOM 594 O ALA A 41 0.759 -6.816 0.781 1.00 10.00 O ATOM 595 CB ALA A 41 -2.416 -6.798 0.194 1.00 10.00 C ATOM 0 H ALA A 41 -1.386 -9.201 2.218 1.00 10.00 H new ATOM 0 HA ALA A 41 -0.996 -8.336 -0.265 1.00 10.00 H new ATOM 0 HB1 ALA A 41 -1.926 -6.037 -0.413 1.00 10.00 H new ATOM 0 HB2 ALA A 41 -3.202 -7.277 -0.390 1.00 10.00 H new ATOM 0 HB3 ALA A 41 -2.853 -6.332 1.077 1.00 10.00 H new ATOM 601 N PRO A 42 -0.466 -6.822 2.697 1.00 10.00 N ATOM 602 CA PRO A 42 0.527 -6.165 3.575 1.00 10.00 C ATOM 603 C PRO A 42 1.958 -6.745 3.554 1.00 10.00 C ATOM 604 O PRO A 42 2.410 -7.292 4.559 1.00 10.00 O ATOM 605 CB PRO A 42 -0.080 -6.339 4.996 1.00 10.00 C ATOM 606 CG PRO A 42 -1.262 -7.227 4.827 1.00 10.00 C ATOM 607 CD PRO A 42 -1.731 -6.994 3.433 1.00 10.00 C ATOM 0 HA PRO A 42 0.676 -5.139 3.237 1.00 10.00 H new ATOM 0 HB2 PRO A 42 0.646 -6.780 5.680 1.00 10.00 H new ATOM 0 HB3 PRO A 42 -0.371 -5.377 5.417 1.00 10.00 H new ATOM 0 HG2 PRO A 42 -0.994 -8.272 4.983 1.00 10.00 H new ATOM 0 HG3 PRO A 42 -2.042 -6.986 5.550 1.00 10.00 H new ATOM 0 HD2 PRO A 42 -2.310 -7.836 3.053 1.00 10.00 H new ATOM 0 HD3 PRO A 42 -2.366 -6.111 3.360 1.00 10.00 H new ATOM 615 N CYS A 43 2.647 -6.609 2.415 1.00 10.00 N ATOM 616 CA CYS A 43 4.100 -6.802 2.297 1.00 10.00 C ATOM 617 C CYS A 43 4.514 -6.829 0.822 1.00 10.00 C ATOM 618 O CYS A 43 4.314 -7.816 0.118 1.00 10.00 O ATOM 619 CB CYS A 43 4.600 -8.054 3.025 1.00 10.00 C ATOM 620 SG CYS A 43 5.408 -7.690 4.624 1.00 10.00 S ATOM 0 H CYS A 43 2.203 -6.357 1.532 1.00 10.00 H new ATOM 0 HA CYS A 43 4.573 -5.952 2.789 1.00 10.00 H new ATOM 0 HB2 CYS A 43 3.759 -8.726 3.196 1.00 10.00 H new ATOM 0 HB3 CYS A 43 5.304 -8.582 2.382 1.00 10.00 H new ATOM 625 N ARG A 44 5.075 -5.720 0.368 1.00 10.00 N ATOM 626 CA ARG A 44 5.483 -5.540 -1.016 1.00 10.00 C ATOM 627 C ARG A 44 6.698 -4.632 -1.081 1.00 10.00 C ATOM 628 O ARG A 44 6.677 -3.533 -0.541 1.00 10.00 O ATOM 629 CB ARG A 44 4.346 -4.908 -1.839 1.00 10.00 C ATOM 630 CG ARG A 44 3.331 -5.894 -2.385 1.00 10.00 C ATOM 631 CD ARG A 44 3.874 -6.609 -3.612 1.00 10.00 C ATOM 632 NE ARG A 44 4.792 -7.702 -3.266 1.00 10.00 N ATOM 633 CZ ARG A 44 5.891 -8.018 -3.963 1.00 10.00 C ATOM 634 NH1 ARG A 44 6.256 -7.285 -5.008 1.00 10.00 N ATOM 635 NH2 ARG A 44 6.623 -9.066 -3.610 1.00 10.00 N ATOM 0 H ARG A 44 5.262 -4.909 0.958 1.00 10.00 H new ATOM 0 HA ARG A 44 5.725 -6.519 -1.430 1.00 10.00 H new ATOM 0 HB2 ARG A 44 3.826 -4.181 -1.215 1.00 10.00 H new ATOM 0 HB3 ARG A 44 4.782 -4.358 -2.673 1.00 10.00 H new ATOM 0 HG2 ARG A 44 3.078 -6.624 -1.616 1.00 10.00 H new ATOM 0 HG3 ARG A 44 2.411 -5.370 -2.642 1.00 10.00 H new ATOM 0 HD2 ARG A 44 3.043 -7.007 -4.194 1.00 10.00 H new ATOM 0 HD3 ARG A 44 4.392 -5.891 -4.247 1.00 10.00 H new ATOM 0 HE ARG A 44 4.578 -8.258 -2.438 1.00 10.00 H new ATOM 0 HH11 ARG A 44 5.698 -6.477 -5.284 1.00 10.00 H new ATOM 0 HH12 ARG A 44 7.094 -7.530 -5.535 1.00 10.00 H new ATOM 0 HH21 ARG A 44 6.349 -9.632 -2.807 1.00 10.00 H new ATOM 0 HH22 ARG A 44 7.460 -9.306 -4.142 1.00 10.00 H new ATOM 649 N VAL A 45 7.756 -5.080 -1.734 1.00 10.00 N ATOM 650 CA VAL A 45 8.911 -4.224 -1.934 1.00 10.00 C ATOM 651 C VAL A 45 8.663 -3.292 -3.104 1.00 10.00 C ATOM 652 O VAL A 45 8.231 -3.713 -4.177 1.00 10.00 O ATOM 653 CB VAL A 45 10.229 -5.018 -2.130 1.00 10.00 C ATOM 654 CG1 VAL A 45 9.977 -6.324 -2.852 1.00 10.00 C ATOM 655 CG2 VAL A 45 11.267 -4.195 -2.890 1.00 10.00 C ATOM 0 H VAL A 45 7.839 -6.017 -2.129 1.00 10.00 H new ATOM 0 HA VAL A 45 9.042 -3.640 -1.023 1.00 10.00 H new ATOM 0 HB VAL A 45 10.623 -5.238 -1.138 1.00 10.00 H new ATOM 0 HG11 VAL A 45 10.919 -6.859 -2.975 1.00 10.00 H new ATOM 0 HG12 VAL A 45 9.286 -6.934 -2.270 1.00 10.00 H new ATOM 0 HG13 VAL A 45 9.544 -6.121 -3.832 1.00 10.00 H new ATOM 0 HG21 VAL A 45 12.178 -4.781 -3.010 1.00 10.00 H new ATOM 0 HG22 VAL A 45 10.874 -3.930 -3.871 1.00 10.00 H new ATOM 0 HG23 VAL A 45 11.491 -3.286 -2.331 1.00 10.00 H new ATOM 665 N ILE A 46 8.924 -2.025 -2.870 1.00 10.00 N ATOM 666 CA ILE A 46 8.704 -0.997 -3.840 1.00 10.00 C ATOM 667 C ILE A 46 9.974 -0.763 -4.613 1.00 10.00 C ATOM 668 O ILE A 46 11.074 -0.946 -4.098 1.00 10.00 O ATOM 669 CB ILE A 46 8.299 0.329 -3.155 1.00 10.00 C ATOM 670 CG1 ILE A 46 7.194 1.040 -3.917 1.00 10.00 C ATOM 671 CG2 ILE A 46 9.493 1.241 -2.984 1.00 10.00 C ATOM 672 CD1 ILE A 46 5.820 0.528 -3.558 1.00 10.00 C ATOM 0 H ILE A 46 9.300 -1.684 -1.985 1.00 10.00 H new ATOM 0 HA ILE A 46 7.901 -1.318 -4.503 1.00 10.00 H new ATOM 0 HB ILE A 46 7.914 0.075 -2.167 1.00 10.00 H new ATOM 0 HG12 ILE A 46 7.245 2.109 -3.710 1.00 10.00 H new ATOM 0 HG13 ILE A 46 7.357 0.914 -4.987 1.00 10.00 H new ATOM 0 HG21 ILE A 46 9.178 2.165 -2.500 1.00 10.00 H new ATOM 0 HG22 ILE A 46 10.244 0.746 -2.368 1.00 10.00 H new ATOM 0 HG23 ILE A 46 9.919 1.470 -3.961 1.00 10.00 H new ATOM 0 HD11 ILE A 46 5.068 1.070 -4.131 1.00 10.00 H new ATOM 0 HD12 ILE A 46 5.756 -0.535 -3.790 1.00 10.00 H new ATOM 0 HD13 ILE A 46 5.642 0.678 -2.493 1.00 10.00 H new ATOM 684 N GLU A 47 9.813 -0.390 -5.845 1.00 10.00 N ATOM 685 CA GLU A 47 10.915 0.088 -6.629 1.00 10.00 C ATOM 686 C GLU A 47 11.094 1.575 -6.348 1.00 10.00 C ATOM 687 O GLU A 47 10.118 2.263 -6.048 1.00 10.00 O ATOM 688 CB GLU A 47 10.648 -0.201 -8.102 1.00 10.00 C ATOM 689 CG GLU A 47 10.199 -1.636 -8.322 1.00 10.00 C ATOM 690 CD GLU A 47 10.123 -2.011 -9.788 1.00 10.00 C ATOM 691 OE1 GLU A 47 11.164 -2.384 -10.369 1.00 10.00 O ATOM 692 OE2 GLU A 47 9.017 -1.931 -10.363 1.00 10.00 O ATOM 0 H GLU A 47 8.919 -0.407 -6.336 1.00 10.00 H new ATOM 0 HA GLU A 47 11.842 -0.421 -6.365 1.00 10.00 H new ATOM 0 HB2 GLU A 47 9.883 0.481 -8.473 1.00 10.00 H new ATOM 0 HB3 GLU A 47 11.552 -0.010 -8.680 1.00 10.00 H new ATOM 0 HG2 GLU A 47 10.890 -2.310 -7.815 1.00 10.00 H new ATOM 0 HG3 GLU A 47 9.220 -1.780 -7.864 1.00 10.00 H new ATOM 699 N PRO A 48 12.339 2.064 -6.337 1.00 10.00 N ATOM 700 CA PRO A 48 12.631 3.487 -6.209 1.00 10.00 C ATOM 701 C PRO A 48 11.764 4.350 -7.119 1.00 10.00 C ATOM 702 O PRO A 48 12.077 4.527 -8.298 1.00 10.00 O ATOM 703 CB PRO A 48 14.089 3.606 -6.640 1.00 10.00 C ATOM 704 CG PRO A 48 14.683 2.241 -6.539 1.00 10.00 C ATOM 705 CD PRO A 48 13.558 1.247 -6.391 1.00 10.00 C ATOM 0 HA PRO A 48 12.435 3.835 -5.195 1.00 10.00 H new ATOM 0 HB2 PRO A 48 14.161 3.984 -7.660 1.00 10.00 H new ATOM 0 HB3 PRO A 48 14.624 4.309 -6.001 1.00 10.00 H new ATOM 0 HG2 PRO A 48 15.274 2.017 -7.427 1.00 10.00 H new ATOM 0 HG3 PRO A 48 15.357 2.182 -5.685 1.00 10.00 H new ATOM 0 HD2 PRO A 48 13.531 0.552 -7.230 1.00 10.00 H new ATOM 0 HD3 PRO A 48 13.674 0.650 -5.486 1.00 10.00 H new ATOM 713 N GLY A 49 10.664 4.864 -6.581 1.00 10.00 N ATOM 714 CA GLY A 49 9.802 5.722 -7.374 1.00 10.00 C ATOM 715 C GLY A 49 8.686 4.943 -8.033 1.00 10.00 C ATOM 716 O GLY A 49 8.012 5.445 -8.934 1.00 10.00 O ATOM 0 H GLY A 49 10.356 4.705 -5.622 1.00 10.00 H new ATOM 0 HA2 GLY A 49 9.377 6.498 -6.737 1.00 10.00 H new ATOM 0 HA3 GLY A 49 10.394 6.226 -8.138 1.00 10.00 H new ATOM 720 N GLY A 50 8.491 3.716 -7.580 1.00 10.00 N ATOM 721 CA GLY A 50 7.492 2.851 -8.157 1.00 10.00 C ATOM 722 C GLY A 50 6.209 2.838 -7.351 1.00 10.00 C ATOM 723 O GLY A 50 6.074 3.585 -6.378 1.00 10.00 O ATOM 0 H GLY A 50 9.017 3.301 -6.811 1.00 10.00 H new ATOM 0 HA2 GLY A 50 7.276 3.177 -9.175 1.00 10.00 H new ATOM 0 HA3 GLY A 50 7.887 1.837 -8.224 1.00 10.00 H new ATOM 727 N TRP A 51 5.281 1.978 -7.749 1.00 10.00 N ATOM 728 CA TRP A 51 3.987 1.871 -7.090 1.00 10.00 C ATOM 729 C TRP A 51 3.772 0.485 -6.505 1.00 10.00 C ATOM 730 O TRP A 51 4.499 -0.462 -6.813 1.00 10.00 O ATOM 731 CB TRP A 51 2.845 2.174 -8.070 1.00 10.00 C ATOM 732 CG TRP A 51 2.538 3.632 -8.245 1.00 10.00 C ATOM 733 CD1 TRP A 51 3.317 4.693 -7.898 1.00 10.00 C ATOM 734 CD2 TRP A 51 1.345 4.182 -8.811 1.00 10.00 C ATOM 735 NE1 TRP A 51 2.687 5.865 -8.234 1.00 10.00 N ATOM 736 CE2 TRP A 51 1.478 5.577 -8.795 1.00 10.00 C ATOM 737 CE3 TRP A 51 0.186 3.626 -9.342 1.00 10.00 C ATOM 738 CZ2 TRP A 51 0.492 6.424 -9.280 1.00 10.00 C ATOM 739 CZ3 TRP A 51 -0.799 4.465 -9.827 1.00 10.00 C ATOM 740 CH2 TRP A 51 -0.637 5.853 -9.798 1.00 10.00 C ATOM 0 H TRP A 51 5.403 1.338 -8.534 1.00 10.00 H new ATOM 0 HA TRP A 51 3.983 2.604 -6.283 1.00 10.00 H new ATOM 0 HB2 TRP A 51 3.097 1.751 -9.042 1.00 10.00 H new ATOM 0 HB3 TRP A 51 1.944 1.666 -7.725 1.00 10.00 H new ATOM 0 HD1 TRP A 51 4.287 4.623 -7.428 1.00 10.00 H new ATOM 0 HE1 TRP A 51 3.063 6.802 -8.088 1.00 10.00 H new ATOM 0 HE3 TRP A 51 0.058 2.554 -9.375 1.00 10.00 H new ATOM 0 HZ2 TRP A 51 0.612 7.497 -9.249 1.00 10.00 H new ATOM 0 HZ3 TRP A 51 -1.706 4.043 -10.234 1.00 10.00 H new ATOM 0 HH2 TRP A 51 -1.418 6.486 -10.192 1.00 10.00 H new ATOM 751 N ALA A 52 2.763 0.392 -5.657 1.00 10.00 N ATOM 752 CA ALA A 52 2.279 -0.864 -5.135 1.00 10.00 C ATOM 753 C ALA A 52 0.772 -0.767 -5.025 1.00 10.00 C ATOM 754 O ALA A 52 0.247 0.101 -4.335 1.00 10.00 O ATOM 755 CB ALA A 52 2.914 -1.194 -3.785 1.00 10.00 C ATOM 0 H ALA A 52 2.252 1.203 -5.309 1.00 10.00 H new ATOM 0 HA ALA A 52 2.555 -1.676 -5.807 1.00 10.00 H new ATOM 0 HB1 ALA A 52 2.526 -2.146 -3.423 1.00 10.00 H new ATOM 0 HB2 ALA A 52 3.996 -1.263 -3.899 1.00 10.00 H new ATOM 0 HB3 ALA A 52 2.674 -0.409 -3.068 1.00 10.00 H new ATOM 761 N THR A 53 0.084 -1.623 -5.745 1.00 10.00 N ATOM 762 CA THR A 53 -1.360 -1.555 -5.831 1.00 10.00 C ATOM 763 C THR A 53 -1.998 -2.317 -4.694 1.00 10.00 C ATOM 764 O THR A 53 -1.656 -3.476 -4.434 1.00 10.00 O ATOM 765 CB THR A 53 -1.839 -2.131 -7.172 1.00 10.00 C ATOM 766 OG1 THR A 53 -1.236 -1.408 -8.252 1.00 10.00 O ATOM 767 CG2 THR A 53 -3.357 -2.076 -7.289 1.00 10.00 C ATOM 0 H THR A 53 0.503 -2.381 -6.284 1.00 10.00 H new ATOM 0 HA THR A 53 -1.657 -0.508 -5.762 1.00 10.00 H new ATOM 0 HB THR A 53 -1.538 -3.177 -7.220 1.00 10.00 H new ATOM 0 HG1 THR A 53 -1.662 -0.529 -8.335 1.00 10.00 H new ATOM 0 HG21 THR A 53 -3.663 -2.491 -8.249 1.00 10.00 H new ATOM 0 HG22 THR A 53 -3.805 -2.657 -6.483 1.00 10.00 H new ATOM 0 HG23 THR A 53 -3.690 -1.041 -7.219 1.00 10.00 H new ATOM 775 N PHE A 54 -2.937 -1.666 -4.029 1.00 10.00 N ATOM 776 CA PHE A 54 -3.590 -2.252 -2.879 1.00 10.00 C ATOM 777 C PHE A 54 -5.068 -1.937 -2.952 1.00 10.00 C ATOM 778 O PHE A 54 -5.444 -0.888 -3.474 1.00 10.00 O ATOM 779 CB PHE A 54 -2.956 -1.741 -1.567 1.00 10.00 C ATOM 780 CG PHE A 54 -1.518 -2.151 -1.405 1.00 10.00 C ATOM 781 CD1 PHE A 54 -1.164 -3.493 -1.361 1.00 10.00 C ATOM 782 CD2 PHE A 54 -0.516 -1.199 -1.306 1.00 10.00 C ATOM 783 CE1 PHE A 54 0.153 -3.878 -1.221 1.00 10.00 C ATOM 784 CE2 PHE A 54 0.802 -1.578 -1.165 1.00 10.00 C ATOM 785 CZ PHE A 54 1.142 -2.916 -1.124 1.00 10.00 C ATOM 0 H PHE A 54 -3.262 -0.730 -4.269 1.00 10.00 H new ATOM 0 HA PHE A 54 -3.458 -3.334 -2.886 1.00 10.00 H new ATOM 0 HB2 PHE A 54 -3.022 -0.653 -1.538 1.00 10.00 H new ATOM 0 HB3 PHE A 54 -3.532 -2.118 -0.722 1.00 10.00 H new ATOM 0 HD1 PHE A 54 -1.933 -4.248 -1.438 1.00 10.00 H new ATOM 0 HD2 PHE A 54 -0.770 -0.150 -1.340 1.00 10.00 H new ATOM 0 HE1 PHE A 54 0.411 -4.926 -1.187 1.00 10.00 H new ATOM 0 HE2 PHE A 54 1.572 -0.825 -1.086 1.00 10.00 H new ATOM 0 HZ PHE A 54 2.176 -3.210 -1.017 1.00 10.00 H new ATOM 795 N ALA A 55 -5.893 -2.865 -2.485 1.00 10.00 N ATOM 796 CA ALA A 55 -7.339 -2.741 -2.604 1.00 10.00 C ATOM 797 C ALA A 55 -7.833 -1.452 -1.969 1.00 10.00 C ATOM 798 O ALA A 55 -7.976 -1.360 -0.750 1.00 10.00 O ATOM 799 CB ALA A 55 -8.039 -3.948 -1.992 1.00 10.00 C ATOM 0 H ALA A 55 -5.582 -3.717 -2.018 1.00 10.00 H new ATOM 0 HA ALA A 55 -7.584 -2.707 -3.665 1.00 10.00 H new ATOM 0 HB1 ALA A 55 -9.118 -3.833 -2.093 1.00 10.00 H new ATOM 0 HB2 ALA A 55 -7.721 -4.854 -2.509 1.00 10.00 H new ATOM 0 HB3 ALA A 55 -7.779 -4.023 -0.936 1.00 10.00 H new ATOM 805 N GLY A 56 -8.039 -0.442 -2.805 1.00 10.00 N ATOM 806 CA GLY A 56 -8.590 0.804 -2.331 1.00 10.00 C ATOM 807 C GLY A 56 -10.065 0.633 -2.016 1.00 10.00 C ATOM 808 O GLY A 56 -10.641 -0.397 -2.372 1.00 10.00 O ATOM 0 H GLY A 56 -7.833 -0.468 -3.804 1.00 10.00 H new ATOM 0 HA2 GLY A 56 -8.055 1.132 -1.440 1.00 10.00 H new ATOM 0 HA3 GLY A 56 -8.458 1.580 -3.085 1.00 10.00 H new ATOM 812 N TYR A 57 -10.710 1.625 -1.411 1.00 10.00 N ATOM 813 CA TYR A 57 -12.072 1.419 -0.951 1.00 10.00 C ATOM 814 C TYR A 57 -13.081 1.703 -2.072 1.00 10.00 C ATOM 815 O TYR A 57 -13.516 2.832 -2.299 1.00 10.00 O ATOM 816 CB TYR A 57 -12.352 2.219 0.338 1.00 10.00 C ATOM 817 CG TYR A 57 -12.654 3.702 0.173 1.00 10.00 C ATOM 818 CD1 TYR A 57 -11.664 4.602 -0.199 1.00 10.00 C ATOM 819 CD2 TYR A 57 -13.934 4.201 0.413 1.00 10.00 C ATOM 820 CE1 TYR A 57 -11.939 5.953 -0.330 1.00 10.00 C ATOM 821 CE2 TYR A 57 -14.213 5.549 0.281 1.00 10.00 C ATOM 822 CZ TYR A 57 -13.215 6.419 -0.090 1.00 10.00 C ATOM 823 OH TYR A 57 -13.494 7.761 -0.217 1.00 10.00 O ATOM 0 H TYR A 57 -10.323 2.552 -1.233 1.00 10.00 H new ATOM 0 HA TYR A 57 -12.195 0.368 -0.688 1.00 10.00 H new ATOM 0 HB2 TYR A 57 -13.196 1.755 0.849 1.00 10.00 H new ATOM 0 HB3 TYR A 57 -11.488 2.119 0.994 1.00 10.00 H new ATOM 0 HD1 TYR A 57 -10.663 4.243 -0.389 1.00 10.00 H new ATOM 0 HD2 TYR A 57 -14.721 3.523 0.707 1.00 10.00 H new ATOM 0 HE1 TYR A 57 -11.157 6.639 -0.619 1.00 10.00 H new ATOM 0 HE2 TYR A 57 -15.211 5.917 0.469 1.00 10.00 H new ATOM 0 HH TYR A 57 -14.439 7.919 -0.013 1.00 10.00 H new ATOM 833 N GLY A 58 -13.388 0.655 -2.825 1.00 10.00 N ATOM 834 CA GLY A 58 -14.365 0.753 -3.891 1.00 10.00 C ATOM 835 C GLY A 58 -15.577 -0.116 -3.618 1.00 10.00 C ATOM 836 O GLY A 58 -16.631 0.389 -3.240 1.00 10.00 O ATOM 0 H GLY A 58 -12.973 -0.270 -2.714 1.00 10.00 H new ATOM 0 HA2 GLY A 58 -14.679 1.791 -4.004 1.00 10.00 H new ATOM 0 HA3 GLY A 58 -13.907 0.454 -4.834 1.00 10.00 H new ATOM 840 N THR A 59 -15.424 -1.421 -3.792 1.00 10.00 N ATOM 841 CA THR A 59 -16.499 -2.362 -3.513 1.00 10.00 C ATOM 842 C THR A 59 -16.204 -3.094 -2.213 1.00 10.00 C ATOM 843 O THR A 59 -15.037 -3.352 -1.907 1.00 10.00 O ATOM 844 CB THR A 59 -16.670 -3.392 -4.656 1.00 10.00 C ATOM 845 OG1 THR A 59 -17.742 -4.298 -4.357 1.00 10.00 O ATOM 846 CG2 THR A 59 -15.388 -4.182 -4.884 1.00 10.00 C ATOM 0 H THR A 59 -14.563 -1.853 -4.126 1.00 10.00 H new ATOM 0 HA THR A 59 -17.427 -1.797 -3.428 1.00 10.00 H new ATOM 0 HB THR A 59 -16.904 -2.839 -5.566 1.00 10.00 H new ATOM 0 HG1 THR A 59 -17.421 -4.995 -3.747 1.00 10.00 H new ATOM 0 HG21 THR A 59 -15.540 -4.897 -5.693 1.00 10.00 H new ATOM 0 HG22 THR A 59 -14.582 -3.498 -5.151 1.00 10.00 H new ATOM 0 HG23 THR A 59 -15.123 -4.717 -3.972 1.00 10.00 H new ATOM 854 N ASP A 60 -17.260 -3.388 -1.448 1.00 10.00 N ATOM 855 CA ASP A 60 -17.164 -4.168 -0.207 1.00 10.00 C ATOM 856 C ASP A 60 -16.502 -3.365 0.920 1.00 10.00 C ATOM 857 O ASP A 60 -16.953 -3.395 2.064 1.00 10.00 O ATOM 858 CB ASP A 60 -16.408 -5.488 -0.441 1.00 10.00 C ATOM 859 CG ASP A 60 -17.109 -6.403 -1.436 1.00 10.00 C ATOM 860 OD1 ASP A 60 -16.939 -6.201 -2.657 1.00 10.00 O ATOM 861 OD2 ASP A 60 -17.836 -7.328 -1.003 1.00 10.00 O ATOM 0 H ASP A 60 -18.210 -3.091 -1.672 1.00 10.00 H new ATOM 0 HA ASP A 60 -18.182 -4.402 0.104 1.00 10.00 H new ATOM 0 HB2 ASP A 60 -15.404 -5.267 -0.803 1.00 10.00 H new ATOM 0 HB3 ASP A 60 -16.296 -6.010 0.509 1.00 10.00 H new ATOM 866 N GLY A 61 -15.439 -2.658 0.593 1.00 10.00 N ATOM 867 CA GLY A 61 -14.760 -1.827 1.559 1.00 10.00 C ATOM 868 C GLY A 61 -13.269 -2.055 1.517 1.00 10.00 C ATOM 869 O GLY A 61 -12.621 -1.725 0.525 1.00 10.00 O ATOM 0 H GLY A 61 -15.027 -2.645 -0.340 1.00 10.00 H new ATOM 0 HA2 GLY A 61 -14.977 -0.778 1.357 1.00 10.00 H new ATOM 0 HA3 GLY A 61 -15.136 -2.044 2.559 1.00 10.00 H new ATOM 873 N ASN A 62 -12.735 -2.626 2.598 1.00 10.00 N ATOM 874 CA ASN A 62 -11.331 -3.022 2.669 1.00 10.00 C ATOM 875 C ASN A 62 -10.405 -1.837 2.437 1.00 10.00 C ATOM 876 O ASN A 62 -9.374 -1.966 1.786 1.00 10.00 O ATOM 877 CB ASN A 62 -11.034 -4.121 1.647 1.00 10.00 C ATOM 878 CG ASN A 62 -11.867 -5.376 1.885 1.00 10.00 C ATOM 879 OD1 ASN A 62 -11.439 -6.260 2.788 1.00 10.00 O flip ATOM 880 ND2 ASN A 62 -12.922 -5.540 1.282 1.00 10.00 N flip ATOM 0 H ASN A 62 -13.264 -2.826 3.447 1.00 10.00 H new ATOM 0 HA ASN A 62 -11.148 -3.405 3.673 1.00 10.00 H new ATOM 0 HB2 ASN A 62 -11.230 -3.743 0.644 1.00 10.00 H new ATOM 0 HB3 ASN A 62 -9.975 -4.377 1.690 1.00 10.00 H new ATOM 0 HD21 ASN A 62 -13.230 -4.851 0.596 1.00 10.00 H new ATOM 0 HD22 ASN A 62 -13.492 -6.365 1.467 1.00 10.00 H new ATOM 887 N TYR A 63 -10.757 -0.701 3.014 1.00 10.00 N ATOM 888 CA TYR A 63 -9.955 0.505 2.856 1.00 10.00 C ATOM 889 C TYR A 63 -8.629 0.367 3.581 1.00 10.00 C ATOM 890 O TYR A 63 -8.597 0.062 4.771 1.00 10.00 O ATOM 891 CB TYR A 63 -10.709 1.739 3.372 1.00 10.00 C ATOM 892 CG TYR A 63 -9.940 3.039 3.240 1.00 10.00 C ATOM 893 CD1 TYR A 63 -9.394 3.434 2.024 1.00 10.00 C ATOM 894 CD2 TYR A 63 -9.758 3.868 4.340 1.00 10.00 C ATOM 895 CE1 TYR A 63 -8.691 4.619 1.910 1.00 10.00 C ATOM 896 CE2 TYR A 63 -9.055 5.053 4.233 1.00 10.00 C ATOM 897 CZ TYR A 63 -8.523 5.422 3.016 1.00 10.00 C ATOM 898 OH TYR A 63 -7.817 6.599 2.906 1.00 10.00 O ATOM 0 H TYR A 63 -11.588 -0.586 3.594 1.00 10.00 H new ATOM 0 HA TYR A 63 -9.761 0.638 1.792 1.00 10.00 H new ATOM 0 HB2 TYR A 63 -11.649 1.830 2.828 1.00 10.00 H new ATOM 0 HB3 TYR A 63 -10.961 1.584 4.421 1.00 10.00 H new ATOM 0 HD1 TYR A 63 -9.521 2.805 1.155 1.00 10.00 H new ATOM 0 HD2 TYR A 63 -10.173 3.581 5.295 1.00 10.00 H new ATOM 0 HE1 TYR A 63 -8.275 4.914 0.958 1.00 10.00 H new ATOM 0 HE2 TYR A 63 -8.923 5.686 5.098 1.00 10.00 H new ATOM 0 HH TYR A 63 -7.792 7.048 3.777 1.00 10.00 H new ATOM 908 N VAL A 64 -7.541 0.550 2.848 1.00 10.00 N ATOM 909 CA VAL A 64 -6.227 0.638 3.456 1.00 10.00 C ATOM 910 C VAL A 64 -6.183 1.886 4.326 1.00 10.00 C ATOM 911 O VAL A 64 -6.581 2.970 3.890 1.00 10.00 O ATOM 912 CB VAL A 64 -5.082 0.657 2.396 1.00 10.00 C ATOM 913 CG1 VAL A 64 -5.633 0.479 0.983 1.00 10.00 C ATOM 914 CG2 VAL A 64 -4.256 1.932 2.488 1.00 10.00 C ATOM 0 H VAL A 64 -7.545 0.640 1.832 1.00 10.00 H new ATOM 0 HA VAL A 64 -6.062 -0.252 4.064 1.00 10.00 H new ATOM 0 HB VAL A 64 -4.426 -0.185 2.616 1.00 10.00 H new ATOM 0 HG11 VAL A 64 -4.811 0.497 0.267 1.00 10.00 H new ATOM 0 HG12 VAL A 64 -6.155 -0.476 0.913 1.00 10.00 H new ATOM 0 HG13 VAL A 64 -6.327 1.289 0.758 1.00 10.00 H new ATOM 0 HG21 VAL A 64 -3.468 1.910 1.735 1.00 10.00 H new ATOM 0 HG22 VAL A 64 -4.899 2.795 2.316 1.00 10.00 H new ATOM 0 HG23 VAL A 64 -3.809 2.005 3.479 1.00 10.00 H new ATOM 924 N THR A 65 -5.757 1.740 5.566 1.00 10.00 N ATOM 925 CA THR A 65 -5.775 2.867 6.475 1.00 10.00 C ATOM 926 C THR A 65 -4.386 3.196 6.999 1.00 10.00 C ATOM 927 O THR A 65 -4.127 4.323 7.423 1.00 10.00 O ATOM 928 CB THR A 65 -6.716 2.602 7.673 1.00 10.00 C ATOM 929 OG1 THR A 65 -6.297 1.417 8.354 1.00 10.00 O ATOM 930 CG2 THR A 65 -8.163 2.437 7.233 1.00 10.00 C ATOM 0 H THR A 65 -5.401 0.869 5.961 1.00 10.00 H new ATOM 0 HA THR A 65 -6.144 3.719 5.904 1.00 10.00 H new ATOM 0 HB THR A 65 -6.660 3.466 8.336 1.00 10.00 H new ATOM 0 HG1 THR A 65 -6.892 1.249 9.114 1.00 10.00 H new ATOM 0 HG21 THR A 65 -8.790 2.253 8.105 1.00 10.00 H new ATOM 0 HG22 THR A 65 -8.497 3.346 6.732 1.00 10.00 H new ATOM 0 HG23 THR A 65 -8.241 1.594 6.546 1.00 10.00 H new ATOM 938 N GLY A 66 -3.496 2.222 6.972 1.00 10.00 N ATOM 939 CA GLY A 66 -2.165 2.455 7.479 1.00 10.00 C ATOM 940 C GLY A 66 -1.099 1.704 6.721 1.00 10.00 C ATOM 941 O GLY A 66 -1.193 0.489 6.536 1.00 10.00 O ATOM 0 H GLY A 66 -3.668 1.283 6.612 1.00 10.00 H new ATOM 0 HA2 GLY A 66 -1.949 3.522 7.435 1.00 10.00 H new ATOM 0 HA3 GLY A 66 -2.127 2.165 8.529 1.00 10.00 H new ATOM 945 N LEU A 67 -0.092 2.435 6.276 1.00 10.00 N ATOM 946 CA LEU A 67 1.082 1.826 5.676 1.00 10.00 C ATOM 947 C LEU A 67 2.096 1.487 6.761 1.00 10.00 C ATOM 948 O LEU A 67 2.302 2.253 7.700 1.00 10.00 O ATOM 949 CB LEU A 67 1.708 2.738 4.609 1.00 10.00 C ATOM 950 CG LEU A 67 1.279 2.457 3.167 1.00 10.00 C ATOM 951 CD1 LEU A 67 1.540 3.672 2.311 1.00 10.00 C ATOM 952 CD2 LEU A 67 2.045 1.282 2.583 1.00 10.00 C ATOM 0 H LEU A 67 -0.064 3.454 6.319 1.00 10.00 H new ATOM 0 HA LEU A 67 0.775 0.908 5.175 1.00 10.00 H new ATOM 0 HB2 LEU A 67 1.459 3.772 4.849 1.00 10.00 H new ATOM 0 HB3 LEU A 67 2.793 2.649 4.671 1.00 10.00 H new ATOM 0 HG LEU A 67 0.216 2.218 3.177 1.00 10.00 H new ATOM 0 HD11 LEU A 67 1.233 3.467 1.285 1.00 10.00 H new ATOM 0 HD12 LEU A 67 0.972 4.518 2.698 1.00 10.00 H new ATOM 0 HD13 LEU A 67 2.604 3.909 2.331 1.00 10.00 H new ATOM 0 HD21 LEU A 67 1.718 1.108 1.558 1.00 10.00 H new ATOM 0 HD22 LEU A 67 3.112 1.504 2.590 1.00 10.00 H new ATOM 0 HD23 LEU A 67 1.855 0.391 3.181 1.00 10.00 H new ATOM 964 N HIS A 68 2.707 0.331 6.621 1.00 10.00 N ATOM 965 CA HIS A 68 3.693 -0.164 7.566 1.00 10.00 C ATOM 966 C HIS A 68 4.928 -0.603 6.804 1.00 10.00 C ATOM 967 O HIS A 68 4.810 -1.031 5.669 1.00 10.00 O ATOM 968 CB HIS A 68 3.107 -1.352 8.330 1.00 10.00 C ATOM 969 CG HIS A 68 2.315 -0.967 9.540 1.00 10.00 C ATOM 970 ND1 HIS A 68 2.835 -0.977 10.814 1.00 10.00 N ATOM 971 CD2 HIS A 68 1.025 -0.578 9.668 1.00 10.00 C ATOM 972 CE1 HIS A 68 1.900 -0.613 11.671 1.00 10.00 C ATOM 973 NE2 HIS A 68 0.790 -0.365 11.001 1.00 10.00 N ATOM 0 H HIS A 68 2.533 -0.302 5.840 1.00 10.00 H new ATOM 0 HA HIS A 68 3.961 0.621 8.273 1.00 10.00 H new ATOM 0 HB2 HIS A 68 2.468 -1.924 7.657 1.00 10.00 H new ATOM 0 HB3 HIS A 68 3.920 -2.011 8.635 1.00 10.00 H new ATOM 0 HD2 HIS A 68 0.311 -0.458 8.866 1.00 10.00 H new ATOM 0 HE1 HIS A 68 2.022 -0.532 12.741 1.00 10.00 H new ATOM 0 HE2 HIS A 68 -0.096 -0.065 11.408 1.00 10.00 H new ATOM 982 N THR A 69 6.110 -0.473 7.365 1.00 10.00 N ATOM 983 CA THR A 69 7.281 -0.928 6.643 1.00 10.00 C ATOM 984 C THR A 69 7.441 -2.432 6.788 1.00 10.00 C ATOM 985 O THR A 69 7.462 -2.974 7.894 1.00 10.00 O ATOM 986 CB THR A 69 8.563 -0.217 7.082 1.00 10.00 C ATOM 987 OG1 THR A 69 8.228 0.862 7.966 1.00 10.00 O ATOM 988 CG2 THR A 69 9.309 0.329 5.867 1.00 10.00 C ATOM 0 H THR A 69 6.286 -0.071 8.286 1.00 10.00 H new ATOM 0 HA THR A 69 7.120 -0.677 5.595 1.00 10.00 H new ATOM 0 HB THR A 69 9.207 -0.930 7.597 1.00 10.00 H new ATOM 0 HG1 THR A 69 9.047 1.318 8.250 1.00 10.00 H new ATOM 0 HG21 THR A 69 10.219 0.832 6.195 1.00 10.00 H new ATOM 0 HG22 THR A 69 9.569 -0.493 5.200 1.00 10.00 H new ATOM 0 HG23 THR A 69 8.673 1.038 5.338 1.00 10.00 H new ATOM 996 N CYS A 70 7.528 -3.100 5.660 1.00 10.00 N ATOM 997 CA CYS A 70 7.641 -4.539 5.631 1.00 10.00 C ATOM 998 C CYS A 70 9.110 -4.937 5.725 1.00 10.00 C ATOM 999 O CYS A 70 9.992 -4.136 5.415 1.00 10.00 O ATOM 1000 CB CYS A 70 7.011 -5.095 4.347 1.00 10.00 C ATOM 1001 SG CYS A 70 7.208 -6.897 4.105 1.00 10.00 S ATOM 0 H CYS A 70 7.522 -2.661 4.739 1.00 10.00 H new ATOM 0 HA CYS A 70 7.106 -4.960 6.482 1.00 10.00 H new ATOM 0 HB2 CYS A 70 5.947 -4.859 4.351 1.00 10.00 H new ATOM 0 HB3 CYS A 70 7.449 -4.579 3.493 1.00 10.00 H new ATOM 1006 N ASP A 71 9.371 -6.163 6.140 1.00 10.00 N ATOM 1007 CA ASP A 71 10.724 -6.672 6.210 1.00 10.00 C ATOM 1008 C ASP A 71 10.739 -8.090 5.684 1.00 10.00 C ATOM 1009 O ASP A 71 9.792 -8.822 5.929 1.00 10.00 O ATOM 1010 CB ASP A 71 11.269 -6.633 7.643 1.00 10.00 C ATOM 1011 CG ASP A 71 10.389 -7.345 8.652 1.00 10.00 C ATOM 1012 OD1 ASP A 71 9.301 -6.816 8.964 1.00 10.00 O ATOM 1013 OD2 ASP A 71 10.751 -8.456 9.101 1.00 10.00 O ATOM 0 H ASP A 71 8.656 -6.828 6.435 1.00 10.00 H new ATOM 0 HA ASP A 71 11.368 -6.038 5.601 1.00 10.00 H new ATOM 0 HB2 ASP A 71 12.261 -7.085 7.657 1.00 10.00 H new ATOM 0 HB3 ASP A 71 11.388 -5.593 7.948 1.00 10.00 H new ATOM 1018 N PRO A 72 11.810 -8.459 4.943 1.00 10.00 N ATOM 1019 CA PRO A 72 12.029 -9.747 4.275 1.00 10.00 C ATOM 1020 C PRO A 72 11.109 -10.885 4.703 1.00 10.00 C ATOM 1021 O PRO A 72 11.518 -11.825 5.390 1.00 10.00 O ATOM 1022 CB PRO A 72 13.488 -10.020 4.662 1.00 10.00 C ATOM 1023 CG PRO A 72 14.081 -8.656 4.946 1.00 10.00 C ATOM 1024 CD PRO A 72 12.982 -7.645 4.698 1.00 10.00 C ATOM 0 HA PRO A 72 11.815 -9.697 3.207 1.00 10.00 H new ATOM 0 HB2 PRO A 72 13.550 -10.667 5.537 1.00 10.00 H new ATOM 0 HB3 PRO A 72 14.023 -10.523 3.856 1.00 10.00 H new ATOM 0 HG2 PRO A 72 14.438 -8.595 5.974 1.00 10.00 H new ATOM 0 HG3 PRO A 72 14.937 -8.464 4.299 1.00 10.00 H new ATOM 0 HD2 PRO A 72 13.043 -6.793 5.375 1.00 10.00 H new ATOM 0 HD3 PRO A 72 13.006 -7.248 3.683 1.00 10.00 H new ATOM 1032 N ALA A 73 9.868 -10.794 4.256 1.00 10.00 N ATOM 1033 CA ALA A 73 8.836 -11.746 4.624 1.00 10.00 C ATOM 1034 C ALA A 73 7.592 -11.496 3.785 1.00 10.00 C ATOM 1035 O ALA A 73 6.592 -10.973 4.274 1.00 10.00 O ATOM 1036 CB ALA A 73 8.521 -11.633 6.111 1.00 10.00 C ATOM 0 H ALA A 73 9.548 -10.057 3.627 1.00 10.00 H new ATOM 0 HA ALA A 73 9.191 -12.758 4.431 1.00 10.00 H new ATOM 0 HB1 ALA A 73 7.745 -12.352 6.374 1.00 10.00 H new ATOM 0 HB2 ALA A 73 9.421 -11.841 6.690 1.00 10.00 H new ATOM 0 HB3 ALA A 73 8.171 -10.625 6.333 1.00 10.00 H new ATOM 1042 N THR A 74 7.678 -11.839 2.511 1.00 10.00 N ATOM 1043 CA THR A 74 6.608 -11.571 1.570 1.00 10.00 C ATOM 1044 C THR A 74 5.493 -12.607 1.680 1.00 10.00 C ATOM 1045 O THR A 74 5.738 -13.760 2.043 1.00 10.00 O ATOM 1046 CB THR A 74 7.157 -11.549 0.133 1.00 10.00 C ATOM 1047 OG1 THR A 74 8.039 -12.664 -0.063 1.00 10.00 O ATOM 1048 CG2 THR A 74 7.896 -10.245 -0.145 1.00 10.00 C ATOM 0 H THR A 74 8.487 -12.308 2.103 1.00 10.00 H new ATOM 0 HA THR A 74 6.189 -10.595 1.815 1.00 10.00 H new ATOM 0 HB THR A 74 6.319 -11.621 -0.561 1.00 10.00 H new ATOM 0 HG1 THR A 74 8.386 -12.649 -0.979 1.00 10.00 H new ATOM 0 HG21 THR A 74 8.275 -10.252 -1.167 1.00 10.00 H new ATOM 0 HG22 THR A 74 7.213 -9.405 -0.018 1.00 10.00 H new ATOM 0 HG23 THR A 74 8.729 -10.144 0.550 1.00 10.00 H new ATOM 1056 N PRO A 75 4.248 -12.205 1.379 1.00 10.00 N ATOM 1057 CA PRO A 75 3.099 -13.109 1.413 1.00 10.00 C ATOM 1058 C PRO A 75 3.192 -14.191 0.342 1.00 10.00 C ATOM 1059 O PRO A 75 2.961 -13.928 -0.843 1.00 10.00 O ATOM 1060 CB PRO A 75 1.902 -12.190 1.153 1.00 10.00 C ATOM 1061 CG PRO A 75 2.464 -10.998 0.468 1.00 10.00 C ATOM 1062 CD PRO A 75 3.865 -10.838 0.987 1.00 10.00 C ATOM 0 HA PRO A 75 3.030 -13.647 2.359 1.00 10.00 H new ATOM 0 HB2 PRO A 75 1.154 -12.684 0.532 1.00 10.00 H new ATOM 0 HB3 PRO A 75 1.410 -11.912 2.085 1.00 10.00 H new ATOM 0 HG2 PRO A 75 2.463 -11.134 -0.614 1.00 10.00 H new ATOM 0 HG3 PRO A 75 1.867 -10.111 0.679 1.00 10.00 H new ATOM 0 HD2 PRO A 75 4.532 -10.438 0.223 1.00 10.00 H new ATOM 0 HD3 PRO A 75 3.903 -10.153 1.834 1.00 10.00 H new ATOM 1070 N SER A 76 3.572 -15.392 0.769 1.00 10.00 N ATOM 1071 CA SER A 76 3.682 -16.543 -0.119 1.00 10.00 C ATOM 1072 C SER A 76 4.778 -16.335 -1.170 1.00 10.00 C ATOM 1073 O SER A 76 5.680 -15.512 -0.992 1.00 10.00 O ATOM 1074 CB SER A 76 2.326 -16.829 -0.778 1.00 10.00 C ATOM 1075 OG SER A 76 1.325 -17.011 0.210 1.00 10.00 O ATOM 0 H SER A 76 3.812 -15.594 1.740 1.00 10.00 H new ATOM 0 HA SER A 76 3.969 -17.411 0.475 1.00 10.00 H new ATOM 0 HB2 SER A 76 2.052 -16.003 -1.435 1.00 10.00 H new ATOM 0 HB3 SER A 76 2.398 -17.721 -1.401 1.00 10.00 H new ATOM 0 HG SER A 76 0.465 -17.191 -0.225 1.00 10.00 H new ATOM 1081 N GLY A 77 4.711 -17.108 -2.243 1.00 10.00 N ATOM 1082 CA GLY A 77 5.728 -17.053 -3.269 1.00 10.00 C ATOM 1083 C GLY A 77 6.442 -18.381 -3.386 1.00 10.00 C ATOM 1084 O GLY A 77 6.711 -18.865 -4.483 1.00 10.00 O ATOM 0 H GLY A 77 3.963 -17.778 -2.421 1.00 10.00 H new ATOM 0 HA2 GLY A 77 5.273 -16.794 -4.225 1.00 10.00 H new ATOM 0 HA3 GLY A 77 6.446 -16.268 -3.034 1.00 10.00 H new ATOM 1088 N VAL A 78 6.734 -18.971 -2.237 1.00 10.00 N ATOM 1089 CA VAL A 78 7.312 -20.306 -2.165 1.00 10.00 C ATOM 1090 C VAL A 78 6.650 -21.070 -1.028 1.00 10.00 C ATOM 1091 O VAL A 78 7.030 -20.851 0.141 1.00 10.00 O ATOM 1092 CB VAL A 78 8.842 -20.290 -1.932 1.00 10.00 C ATOM 1093 CG1 VAL A 78 9.391 -21.711 -1.896 1.00 10.00 C ATOM 1094 CG2 VAL A 78 9.557 -19.478 -3.001 1.00 10.00 C ATOM 1095 OXT VAL A 78 5.735 -21.865 -1.304 1.00 10.00 O ATOM 0 H VAL A 78 6.577 -18.538 -1.327 1.00 10.00 H new ATOM 0 HA VAL A 78 7.135 -20.787 -3.127 1.00 10.00 H new ATOM 0 HB VAL A 78 9.026 -19.815 -0.968 1.00 10.00 H new ATOM 0 HG11 VAL A 78 10.468 -21.681 -1.731 1.00 10.00 H new ATOM 0 HG12 VAL A 78 8.915 -22.264 -1.086 1.00 10.00 H new ATOM 0 HG13 VAL A 78 9.183 -22.206 -2.845 1.00 10.00 H new ATOM 0 HG21 VAL A 78 10.630 -19.487 -2.808 1.00 10.00 H new ATOM 0 HG22 VAL A 78 9.361 -19.914 -3.981 1.00 10.00 H new ATOM 0 HG23 VAL A 78 9.193 -18.451 -2.981 1.00 10.00 H new TER 1105 VAL A 78