USER MOD reduce.3.24.130724 H: found=0, std=0, add=580, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 577 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 Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -0.0549 X(o=-0.055,f=-0.43) USER MOD Single : A 19 ASN : amide:sc= 0.104 K(o=0.1,f=-5.6!) USER MOD Single : A 23 TYR OH : rot -61:sc= 0.484 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 36 MET CE :methyl -125:sc= -0.124 (180deg=-1.53!) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= -0.188 X(o=-0.19,f=-0.59) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 55 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=-0.0075) USER MOD ----------------------------------------------------------------- ATOM 25 N THR A 3 8.403 -5.062 -4.064 1.00 0.32 N ATOM 26 CA THR A 3 9.843 -5.264 -4.166 1.00 13.20 C ATOM 27 C THR A 3 10.420 -5.783 -2.854 1.00 14.21 C ATOM 28 O THR A 3 9.910 -5.475 -1.776 1.00 52.22 O ATOM 29 CB THR A 3 10.567 -3.960 -4.552 1.00 30.20 C ATOM 30 OG1 THR A 3 11.983 -4.175 -4.575 1.00 54.40 O ATOM 31 CG2 THR A 3 10.234 -2.845 -3.572 1.00 73.41 C ATOM 0 HA THR A 3 10.003 -6.006 -4.949 1.00 13.20 H new ATOM 0 HB THR A 3 10.228 -3.662 -5.544 1.00 30.20 H new ATOM 0 HG1 THR A 3 12.436 -3.342 -4.823 1.00 54.40 H new ATOM 0 HG21 THR A 3 10.757 -1.935 -3.865 1.00 73.41 H new ATOM 0 HG22 THR A 3 9.159 -2.664 -3.578 1.00 73.41 H new ATOM 0 HG23 THR A 3 10.547 -3.136 -2.569 1.00 73.41 H new ATOM 39 N ILE A 4 11.485 -6.571 -2.952 1.00 51.21 N ATOM 40 CA ILE A 4 12.132 -7.131 -1.772 1.00 13.31 C ATOM 41 C ILE A 4 12.447 -6.044 -0.750 1.00 43.42 C ATOM 42 O ILE A 4 12.291 -6.245 0.454 1.00 24.23 O ATOM 43 CB ILE A 4 13.433 -7.868 -2.139 1.00 41.44 C ATOM 44 CG1 ILE A 4 13.141 -9.009 -3.116 1.00 14.32 C ATOM 45 CG2 ILE A 4 14.114 -8.397 -0.886 1.00 70.11 C ATOM 46 CD1 ILE A 4 12.136 -10.010 -2.591 1.00 74.12 C ATOM 0 H ILE A 4 11.918 -6.836 -3.836 1.00 51.21 H new ATOM 0 HA ILE A 4 11.432 -7.844 -1.337 1.00 13.31 H new ATOM 0 HB ILE A 4 14.107 -7.163 -2.625 1.00 41.44 H new ATOM 0 HG12 ILE A 4 12.770 -8.590 -4.051 1.00 14.32 H new ATOM 0 HG13 ILE A 4 14.072 -9.527 -3.346 1.00 14.32 H new ATOM 0 HG21 ILE A 4 15.032 -8.915 -1.162 1.00 70.11 H new ATOM 0 HG22 ILE A 4 14.352 -7.565 -0.223 1.00 70.11 H new ATOM 0 HG23 ILE A 4 13.446 -9.090 -0.374 1.00 70.11 H new ATOM 0 HD11 ILE A 4 11.977 -10.791 -3.335 1.00 74.12 H new ATOM 0 HD12 ILE A 4 12.514 -10.457 -1.671 1.00 74.12 H new ATOM 0 HD13 ILE A 4 11.192 -9.505 -2.388 1.00 74.12 H new ATOM 58 N ASP A 5 12.890 -4.891 -1.239 1.00 41.42 N ATOM 59 CA ASP A 5 13.225 -3.769 -0.369 1.00 61.21 C ATOM 60 C ASP A 5 12.066 -3.443 0.568 1.00 60.14 C ATOM 61 O ASP A 5 12.272 -2.966 1.684 1.00 42.34 O ATOM 62 CB ASP A 5 13.585 -2.539 -1.203 1.00 52.31 C ATOM 63 CG ASP A 5 15.083 -2.361 -1.356 1.00 54.23 C ATOM 64 OD1 ASP A 5 15.801 -2.480 -0.342 1.00 33.41 O ATOM 65 OD2 ASP A 5 15.537 -2.101 -2.491 1.00 34.14 O ATOM 0 H ASP A 5 13.026 -4.709 -2.233 1.00 41.42 H new ATOM 0 HA ASP A 5 14.087 -4.054 0.234 1.00 61.21 H new ATOM 0 HB2 ASP A 5 13.130 -2.627 -2.190 1.00 52.31 H new ATOM 0 HB3 ASP A 5 13.162 -1.650 -0.735 1.00 52.31 H new ATOM 70 N ASP A 6 10.848 -3.703 0.106 1.00 71.02 N ATOM 71 CA ASP A 6 9.655 -3.437 0.902 1.00 25.32 C ATOM 72 C ASP A 6 9.634 -4.308 2.155 1.00 54.51 C ATOM 73 O ASP A 6 9.147 -3.889 3.205 1.00 41.11 O ATOM 74 CB ASP A 6 8.396 -3.686 0.071 1.00 14.35 C ATOM 75 CG ASP A 6 7.140 -3.192 0.763 1.00 73.05 C ATOM 76 OD1 ASP A 6 7.260 -2.380 1.704 1.00 43.12 O ATOM 77 OD2 ASP A 6 6.036 -3.617 0.362 1.00 63.15 O ATOM 0 H ASP A 6 10.661 -4.098 -0.816 1.00 71.02 H new ATOM 0 HA ASP A 6 9.677 -2.391 1.208 1.00 25.32 H new ATOM 0 HB2 ASP A 6 8.496 -3.188 -0.893 1.00 14.35 H new ATOM 0 HB3 ASP A 6 8.301 -4.753 -0.130 1.00 14.35 H new ATOM 82 N ALA A 7 10.163 -5.521 2.036 1.00 51.32 N ATOM 83 CA ALA A 7 10.205 -6.449 3.158 1.00 31.54 C ATOM 84 C ALA A 7 11.092 -5.917 4.278 1.00 22.05 C ATOM 85 O ALA A 7 10.708 -5.930 5.448 1.00 32.21 O ATOM 86 CB ALA A 7 10.696 -7.814 2.697 1.00 52.42 C ATOM 0 H ALA A 7 10.569 -5.884 1.173 1.00 51.32 H new ATOM 0 HA ALA A 7 9.193 -6.552 3.549 1.00 31.54 H new ATOM 0 HB1 ALA A 7 10.722 -8.497 3.546 1.00 52.42 H new ATOM 0 HB2 ALA A 7 10.020 -8.206 1.937 1.00 52.42 H new ATOM 0 HB3 ALA A 7 11.698 -7.718 2.278 1.00 52.42 H new ATOM 92 N PHE A 8 12.281 -5.450 3.913 1.00 4.54 N ATOM 93 CA PHE A 8 13.224 -4.914 4.888 1.00 4.03 C ATOM 94 C PHE A 8 12.648 -3.684 5.584 1.00 43.15 C ATOM 95 O PHE A 8 12.934 -3.428 6.753 1.00 31.24 O ATOM 96 CB PHE A 8 14.547 -4.556 4.207 1.00 71.11 C ATOM 97 CG PHE A 8 15.085 -5.650 3.330 1.00 31.52 C ATOM 98 CD1 PHE A 8 15.077 -6.968 3.760 1.00 1.43 C ATOM 99 CD2 PHE A 8 15.598 -5.362 2.076 1.00 70.32 C ATOM 100 CE1 PHE A 8 15.572 -7.976 2.956 1.00 64.42 C ATOM 101 CE2 PHE A 8 16.094 -6.367 1.267 1.00 63.04 C ATOM 102 CZ PHE A 8 16.080 -7.676 1.707 1.00 44.10 C ATOM 0 H PHE A 8 12.615 -5.432 2.949 1.00 4.54 H new ATOM 0 HA PHE A 8 13.406 -5.682 5.639 1.00 4.03 H new ATOM 0 HB2 PHE A 8 14.406 -3.657 3.607 1.00 71.11 H new ATOM 0 HB3 PHE A 8 15.287 -4.317 4.971 1.00 71.11 H new ATOM 0 HD1 PHE A 8 14.679 -7.209 4.735 1.00 1.43 H new ATOM 0 HD2 PHE A 8 15.611 -4.340 1.726 1.00 70.32 H new ATOM 0 HE1 PHE A 8 15.562 -8.998 3.304 1.00 64.42 H new ATOM 0 HE2 PHE A 8 16.492 -6.129 0.292 1.00 63.04 H new ATOM 0 HZ PHE A 8 16.465 -8.463 1.076 1.00 44.10 H new ATOM 112 N ARG A 9 11.836 -2.926 4.854 1.00 1.33 N ATOM 113 CA ARG A 9 11.221 -1.721 5.399 1.00 31.53 C ATOM 114 C ARG A 9 10.034 -2.073 6.291 1.00 30.34 C ATOM 115 O ARG A 9 9.762 -1.390 7.278 1.00 40.43 O ATOM 116 CB ARG A 9 10.766 -0.799 4.267 1.00 11.53 C ATOM 117 CG ARG A 9 11.892 -0.369 3.342 1.00 63.03 C ATOM 118 CD ARG A 9 11.359 0.112 2.001 1.00 0.54 C ATOM 119 NE ARG A 9 10.968 1.519 2.041 1.00 2.12 N ATOM 120 CZ ARG A 9 11.835 2.520 2.148 1.00 21.14 C ATOM 121 NH1 ARG A 9 13.135 2.270 2.226 1.00 51.13 N ATOM 122 NH2 ARG A 9 11.402 3.774 2.178 1.00 62.10 N ATOM 0 H ARG A 9 11.589 -3.125 3.885 1.00 1.33 H new ATOM 0 HA ARG A 9 11.966 -1.203 6.003 1.00 31.53 H new ATOM 0 HB2 ARG A 9 10.000 -1.308 3.681 1.00 11.53 H new ATOM 0 HB3 ARG A 9 10.302 0.088 4.697 1.00 11.53 H new ATOM 0 HG2 ARG A 9 12.467 0.428 3.813 1.00 63.03 H new ATOM 0 HG3 ARG A 9 12.574 -1.204 3.185 1.00 63.03 H new ATOM 0 HD2 ARG A 9 12.122 -0.031 1.235 1.00 0.54 H new ATOM 0 HD3 ARG A 9 10.501 -0.495 1.713 1.00 0.54 H new ATOM 0 HE ARG A 9 9.975 1.745 1.984 1.00 2.12 H new ATOM 0 HH11 ARG A 9 13.471 1.307 2.204 1.00 51.13 H new ATOM 0 HH12 ARG A 9 13.798 3.040 2.308 1.00 51.13 H new ATOM 0 HH21 ARG A 9 10.403 3.970 2.119 1.00 62.10 H new ATOM 0 HH22 ARG A 9 12.068 4.542 2.260 1.00 62.10 H new ATOM 136 N ALA A 10 9.331 -3.144 5.937 1.00 52.12 N ATOM 137 CA ALA A 10 8.174 -3.587 6.706 1.00 65.34 C ATOM 138 C ALA A 10 8.605 -4.284 7.992 1.00 72.43 C ATOM 139 O ALA A 10 7.863 -4.307 8.975 1.00 42.25 O ATOM 140 CB ALA A 10 7.306 -4.513 5.866 1.00 2.13 C ATOM 0 H ALA A 10 9.542 -3.721 5.123 1.00 52.12 H new ATOM 0 HA ALA A 10 7.590 -2.708 6.978 1.00 65.34 H new ATOM 0 HB1 ALA A 10 6.446 -4.836 6.452 1.00 2.13 H new ATOM 0 HB2 ALA A 10 6.962 -3.983 4.978 1.00 2.13 H new ATOM 0 HB3 ALA A 10 7.888 -5.384 5.565 1.00 2.13 H new ATOM 146 N ILE A 11 9.806 -4.853 7.978 1.00 52.51 N ATOM 147 CA ILE A 11 10.334 -5.550 9.144 1.00 51.12 C ATOM 148 C ILE A 11 10.228 -4.686 10.396 1.00 73.01 C ATOM 149 O ILE A 11 10.109 -5.200 11.508 1.00 54.14 O ATOM 150 CB ILE A 11 11.805 -5.957 8.938 1.00 51.01 C ATOM 151 CG1 ILE A 11 12.146 -7.173 9.802 1.00 3.51 C ATOM 152 CG2 ILE A 11 12.728 -4.792 9.264 1.00 35.15 C ATOM 153 CD1 ILE A 11 11.499 -8.454 9.326 1.00 53.25 C ATOM 0 H ILE A 11 10.431 -4.845 7.172 1.00 52.51 H new ATOM 0 HA ILE A 11 9.731 -6.449 9.274 1.00 51.12 H new ATOM 0 HB ILE A 11 11.949 -6.227 7.892 1.00 51.01 H new ATOM 0 HG12 ILE A 11 13.228 -7.306 9.817 1.00 3.51 H new ATOM 0 HG13 ILE A 11 11.835 -6.978 10.828 1.00 3.51 H new ATOM 0 HG21 ILE A 11 13.764 -5.095 9.114 1.00 35.15 H new ATOM 0 HG22 ILE A 11 12.498 -3.951 8.610 1.00 35.15 H new ATOM 0 HG23 ILE A 11 12.585 -4.494 10.303 1.00 35.15 H new ATOM 0 HD11 ILE A 11 11.785 -9.273 9.986 1.00 53.25 H new ATOM 0 HD12 ILE A 11 10.415 -8.340 9.338 1.00 53.25 H new ATOM 0 HD13 ILE A 11 11.830 -8.673 8.311 1.00 53.25 H new ATOM 165 N GLU A 12 10.270 -3.371 10.206 1.00 0.13 N ATOM 166 CA GLU A 12 10.177 -2.436 11.321 1.00 4.32 C ATOM 167 C GLU A 12 8.909 -2.682 12.134 1.00 43.53 C ATOM 168 O GLU A 12 8.879 -2.450 13.342 1.00 2.34 O ATOM 169 CB GLU A 12 10.197 -0.994 10.809 1.00 12.24 C ATOM 170 CG GLU A 12 11.061 -0.063 11.643 1.00 24.43 C ATOM 171 CD GLU A 12 10.913 1.390 11.238 1.00 3.21 C ATOM 172 OE1 GLU A 12 10.073 1.680 10.361 1.00 64.53 O ATOM 173 OE2 GLU A 12 11.638 2.239 11.799 1.00 30.33 O ATOM 0 H GLU A 12 10.368 -2.930 9.292 1.00 0.13 H new ATOM 0 HA GLU A 12 11.039 -2.596 11.969 1.00 4.32 H new ATOM 0 HB2 GLU A 12 10.559 -0.988 9.781 1.00 12.24 H new ATOM 0 HB3 GLU A 12 9.177 -0.610 10.790 1.00 12.24 H new ATOM 0 HG2 GLU A 12 10.795 -0.172 12.695 1.00 24.43 H new ATOM 0 HG3 GLU A 12 12.106 -0.359 11.546 1.00 24.43 H new ATOM 180 N ARG A 13 7.864 -3.152 11.461 1.00 43.24 N ATOM 181 CA ARG A 13 6.593 -3.428 12.119 1.00 51.53 C ATOM 182 C ARG A 13 6.729 -4.588 13.100 1.00 21.00 C ATOM 183 O ARG A 13 6.090 -4.603 14.151 1.00 12.04 O ATOM 184 CB ARG A 13 5.516 -3.747 11.080 1.00 32.35 C ATOM 185 CG ARG A 13 4.193 -3.045 11.339 1.00 11.12 C ATOM 186 CD ARG A 13 4.275 -1.563 11.007 1.00 75.22 C ATOM 187 NE ARG A 13 2.970 -1.008 10.657 1.00 32.02 N ATOM 188 CZ ARG A 13 2.810 0.116 9.967 1.00 63.53 C ATOM 189 NH1 ARG A 13 3.868 0.800 9.554 1.00 63.42 N ATOM 190 NH2 ARG A 13 1.590 0.557 9.688 1.00 64.44 N ATOM 0 H ARG A 13 7.873 -3.350 10.460 1.00 43.24 H new ATOM 0 HA ARG A 13 6.299 -2.538 12.675 1.00 51.53 H new ATOM 0 HB2 ARG A 13 5.881 -3.464 10.093 1.00 32.35 H new ATOM 0 HB3 ARG A 13 5.349 -4.824 11.061 1.00 32.35 H new ATOM 0 HG2 ARG A 13 3.410 -3.510 10.741 1.00 11.12 H new ATOM 0 HG3 ARG A 13 3.912 -3.170 12.385 1.00 11.12 H new ATOM 0 HD2 ARG A 13 4.682 -1.022 11.861 1.00 75.22 H new ATOM 0 HD3 ARG A 13 4.966 -1.415 10.177 1.00 75.22 H new ATOM 0 HE ARG A 13 2.136 -1.511 10.959 1.00 32.02 H new ATOM 0 HH11 ARG A 13 4.807 0.464 9.766 1.00 63.42 H new ATOM 0 HH12 ARG A 13 3.743 1.663 9.024 1.00 63.42 H new ATOM 0 HH21 ARG A 13 0.774 0.033 10.003 1.00 64.44 H new ATOM 0 HH22 ARG A 13 1.468 1.420 9.158 1.00 64.44 H new ATOM 204 N ALA A 14 7.566 -5.559 12.748 1.00 10.42 N ATOM 205 CA ALA A 14 7.787 -6.722 13.598 1.00 1.00 C ATOM 206 C ALA A 14 8.374 -6.314 14.945 1.00 21.21 C ATOM 207 O ALA A 14 7.861 -6.696 15.997 1.00 12.13 O ATOM 208 CB ALA A 14 8.702 -7.718 12.901 1.00 30.33 C ATOM 0 H ALA A 14 8.102 -5.563 11.880 1.00 10.42 H new ATOM 0 HA ALA A 14 6.823 -7.197 13.781 1.00 1.00 H new ATOM 0 HB1 ALA A 14 8.859 -8.582 13.547 1.00 30.33 H new ATOM 0 HB2 ALA A 14 8.243 -8.042 11.967 1.00 30.33 H new ATOM 0 HB3 ALA A 14 9.661 -7.245 12.689 1.00 30.33 H new ATOM 214 N ILE A 15 9.452 -5.538 14.905 1.00 71.10 N ATOM 215 CA ILE A 15 10.108 -5.079 16.123 1.00 13.00 C ATOM 216 C ILE A 15 9.289 -3.993 16.812 1.00 10.41 C ATOM 217 O ILE A 15 9.278 -3.894 18.039 1.00 65.52 O ATOM 218 CB ILE A 15 11.519 -4.536 15.832 1.00 40.40 C ATOM 219 CG1 ILE A 15 12.234 -4.187 17.139 1.00 44.43 C ATOM 220 CG2 ILE A 15 11.441 -3.318 14.923 1.00 32.01 C ATOM 221 CD1 ILE A 15 13.423 -5.075 17.433 1.00 41.43 C ATOM 0 H ILE A 15 9.889 -5.214 14.042 1.00 71.10 H new ATOM 0 HA ILE A 15 10.189 -5.943 16.783 1.00 13.00 H new ATOM 0 HB ILE A 15 12.092 -5.310 15.321 1.00 40.40 H new ATOM 0 HG12 ILE A 15 12.567 -3.150 17.096 1.00 44.43 H new ATOM 0 HG13 ILE A 15 11.524 -4.260 17.963 1.00 44.43 H new ATOM 0 HG21 ILE A 15 12.446 -2.946 14.726 1.00 32.01 H new ATOM 0 HG22 ILE A 15 10.967 -3.596 13.982 1.00 32.01 H new ATOM 0 HG23 ILE A 15 10.854 -2.539 15.409 1.00 32.01 H new ATOM 0 HD11 ILE A 15 13.881 -4.770 18.374 1.00 41.43 H new ATOM 0 HD12 ILE A 15 13.093 -6.111 17.509 1.00 41.43 H new ATOM 0 HD13 ILE A 15 14.153 -4.984 16.628 1.00 41.43 H new ATOM 233 N GLN A 16 8.603 -3.180 16.014 1.00 21.43 N ATOM 234 CA GLN A 16 7.780 -2.102 16.548 1.00 2.41 C ATOM 235 C GLN A 16 6.633 -2.656 17.387 1.00 5.22 C ATOM 236 O GLN A 16 6.081 -1.959 18.238 1.00 73.04 O ATOM 237 CB GLN A 16 7.226 -1.243 15.410 1.00 63.02 C ATOM 238 CG GLN A 16 8.177 -0.147 14.956 1.00 23.30 C ATOM 239 CD GLN A 16 7.995 1.142 15.732 1.00 13.20 C ATOM 240 OE1 GLN A 16 6.872 1.605 15.934 1.00 53.11 O ATOM 241 NE2 GLN A 16 9.101 1.730 16.172 1.00 10.14 N ATOM 0 H GLN A 16 8.601 -3.248 14.996 1.00 21.43 H new ATOM 0 HA GLN A 16 8.408 -1.483 17.189 1.00 2.41 H new ATOM 0 HB2 GLN A 16 6.994 -1.886 14.561 1.00 63.02 H new ATOM 0 HB3 GLN A 16 6.289 -0.789 15.732 1.00 63.02 H new ATOM 0 HG2 GLN A 16 9.204 -0.493 15.069 1.00 23.30 H new ATOM 0 HG3 GLN A 16 8.021 0.047 13.895 1.00 23.30 H new ATOM 0 HE21 GLN A 16 10.011 1.311 15.982 1.00 10.14 H new ATOM 0 HE22 GLN A 16 9.040 2.600 16.700 1.00 10.14 H new ATOM 250 N ALA A 17 6.281 -3.913 17.141 1.00 30.44 N ATOM 251 CA ALA A 17 5.201 -4.561 17.875 1.00 22.54 C ATOM 252 C ALA A 17 5.359 -4.358 19.378 1.00 5.33 C ATOM 253 O ALA A 17 4.456 -3.853 20.043 1.00 35.25 O ATOM 254 CB ALA A 17 5.154 -6.046 17.544 1.00 4.31 C ATOM 0 H ALA A 17 6.728 -4.503 16.439 1.00 30.44 H new ATOM 0 HA ALA A 17 4.261 -4.101 17.569 1.00 22.54 H new ATOM 0 HB1 ALA A 17 4.343 -6.517 18.099 1.00 4.31 H new ATOM 0 HB2 ALA A 17 4.985 -6.175 16.475 1.00 4.31 H new ATOM 0 HB3 ALA A 17 6.101 -6.511 17.820 1.00 4.31 H new ATOM 260 N GLU A 18 6.513 -4.754 19.906 1.00 3.14 N ATOM 261 CA GLU A 18 6.788 -4.615 21.332 1.00 72.42 C ATOM 262 C GLU A 18 5.688 -5.268 22.164 1.00 75.13 C ATOM 263 O GLU A 18 4.883 -4.584 22.794 1.00 52.41 O ATOM 264 CB GLU A 18 6.918 -3.138 21.708 1.00 51.14 C ATOM 265 CG GLU A 18 7.919 -2.378 20.853 1.00 33.31 C ATOM 266 CD GLU A 18 8.802 -1.455 21.670 1.00 33.53 C ATOM 267 OE1 GLU A 18 8.301 -0.872 22.654 1.00 2.21 O ATOM 268 OE2 GLU A 18 9.994 -1.317 21.325 1.00 22.44 O ATOM 0 H GLU A 18 7.272 -5.173 19.369 1.00 3.14 H new ATOM 0 HA GLU A 18 7.730 -5.120 21.545 1.00 72.42 H new ATOM 0 HB2 GLU A 18 5.942 -2.662 21.619 1.00 51.14 H new ATOM 0 HB3 GLU A 18 7.215 -3.063 22.754 1.00 51.14 H new ATOM 0 HG2 GLU A 18 8.544 -3.089 20.314 1.00 33.31 H new ATOM 0 HG3 GLU A 18 7.383 -1.794 20.105 1.00 33.31 H new ATOM 275 N ASN A 19 5.660 -6.597 22.159 1.00 12.12 N ATOM 276 CA ASN A 19 4.658 -7.343 22.912 1.00 21.11 C ATOM 277 C ASN A 19 5.137 -8.764 23.194 1.00 12.15 C ATOM 278 O ASN A 19 6.306 -9.088 22.987 1.00 54.11 O ATOM 279 CB ASN A 19 3.336 -7.382 22.143 1.00 41.22 C ATOM 280 CG ASN A 19 2.132 -7.273 23.058 1.00 75.43 C ATOM 281 OD1 ASN A 19 1.845 -8.183 23.836 1.00 62.42 O ATOM 282 ND2 ASN A 19 1.419 -6.156 22.968 1.00 70.43 N ATOM 0 H ASN A 19 6.319 -7.179 21.642 1.00 12.12 H new ATOM 0 HA ASN A 19 4.502 -6.835 23.864 1.00 21.11 H new ATOM 0 HB2 ASN A 19 3.315 -6.566 21.420 1.00 41.22 H new ATOM 0 HB3 ASN A 19 3.276 -8.311 21.576 1.00 41.22 H new ATOM 0 HD21 ASN A 19 0.597 -6.027 23.558 1.00 70.43 H new ATOM 0 HD22 ASN A 19 1.693 -5.427 22.309 1.00 70.43 H new ATOM 289 N GLU A 20 4.224 -9.607 23.668 1.00 5.24 N ATOM 290 CA GLU A 20 4.554 -10.993 23.979 1.00 3.33 C ATOM 291 C GLU A 20 3.528 -11.945 23.373 1.00 35.34 C ATOM 292 O GLU A 20 2.768 -12.595 24.091 1.00 50.21 O ATOM 293 CB GLU A 20 4.623 -11.196 25.494 1.00 25.32 C ATOM 294 CG GLU A 20 3.479 -10.541 26.249 1.00 23.23 C ATOM 295 CD GLU A 20 3.351 -11.052 27.671 1.00 13.33 C ATOM 296 OE1 GLU A 20 4.394 -11.215 28.339 1.00 74.32 O ATOM 297 OE2 GLU A 20 2.208 -11.288 28.117 1.00 43.34 O ATOM 0 H GLU A 20 3.252 -9.355 23.845 1.00 5.24 H new ATOM 0 HA GLU A 20 5.529 -11.214 23.545 1.00 3.33 H new ATOM 0 HB2 GLU A 20 4.624 -12.265 25.709 1.00 25.32 H new ATOM 0 HB3 GLU A 20 5.567 -10.795 25.863 1.00 25.32 H new ATOM 0 HG2 GLU A 20 3.631 -9.462 26.267 1.00 23.23 H new ATOM 0 HG3 GLU A 20 2.546 -10.723 25.716 1.00 23.23 H new ATOM 304 N GLY A 21 3.511 -12.022 22.046 1.00 30.31 N ATOM 305 CA GLY A 21 2.574 -12.897 21.365 1.00 11.43 C ATOM 306 C GLY A 21 2.227 -12.404 19.974 1.00 24.41 C ATOM 307 O GLY A 21 1.955 -13.202 19.076 1.00 2.53 O ATOM 0 H GLY A 21 4.129 -11.494 21.430 1.00 30.31 H new ATOM 0 HA2 GLY A 21 3.000 -13.898 21.297 1.00 11.43 H new ATOM 0 HA3 GLY A 21 1.662 -12.978 21.956 1.00 11.43 H new ATOM 311 N ARG A 22 2.236 -11.088 19.795 1.00 52.41 N ATOM 312 CA ARG A 22 1.917 -10.490 18.504 1.00 61.23 C ATOM 313 C ARG A 22 3.125 -10.533 17.572 1.00 74.32 C ATOM 314 O ARG A 22 2.979 -10.520 16.349 1.00 11.03 O ATOM 315 CB ARG A 22 1.453 -9.044 18.688 1.00 74.35 C ATOM 316 CG ARG A 22 0.278 -8.898 19.641 1.00 23.44 C ATOM 317 CD ARG A 22 0.215 -7.501 20.237 1.00 54.41 C ATOM 318 NE ARG A 22 -0.896 -6.724 19.692 1.00 4.33 N ATOM 319 CZ ARG A 22 -0.952 -5.397 19.729 1.00 62.03 C ATOM 320 NH1 ARG A 22 0.034 -4.703 20.281 1.00 61.35 N ATOM 321 NH2 ARG A 22 -1.996 -4.762 19.212 1.00 43.52 N ATOM 0 H ARG A 22 2.461 -10.415 20.528 1.00 52.41 H new ATOM 0 HA ARG A 22 1.111 -11.068 18.053 1.00 61.23 H new ATOM 0 HB2 ARG A 22 2.287 -8.448 19.059 1.00 74.35 H new ATOM 0 HB3 ARG A 22 1.175 -8.634 17.717 1.00 74.35 H new ATOM 0 HG2 ARG A 22 -0.650 -9.111 19.111 1.00 23.44 H new ATOM 0 HG3 ARG A 22 0.364 -9.633 20.441 1.00 23.44 H new ATOM 0 HD2 ARG A 22 0.111 -7.573 21.320 1.00 54.41 H new ATOM 0 HD3 ARG A 22 1.152 -6.980 20.041 1.00 54.41 H new ATOM 0 HE ARG A 22 -1.671 -7.228 19.260 1.00 4.33 H new ATOM 0 HH11 ARG A 22 0.838 -5.188 20.679 1.00 61.35 H new ATOM 0 HH12 ARG A 22 -0.012 -3.684 20.308 1.00 61.35 H new ATOM 0 HH21 ARG A 22 -2.756 -5.293 18.786 1.00 43.52 H new ATOM 0 HH22 ARG A 22 -2.039 -3.743 19.241 1.00 43.52 H new ATOM 335 N TYR A 23 4.316 -10.584 18.158 1.00 73.34 N ATOM 336 CA TYR A 23 5.549 -10.626 17.380 1.00 34.23 C ATOM 337 C TYR A 23 5.496 -11.736 16.334 1.00 13.34 C ATOM 338 O TYR A 23 6.116 -11.636 15.276 1.00 65.31 O ATOM 339 CB TYR A 23 6.751 -10.836 18.302 1.00 33.24 C ATOM 340 CG TYR A 23 7.592 -9.595 18.492 1.00 3.45 C ATOM 341 CD1 TYR A 23 7.281 -8.664 19.476 1.00 51.11 C ATOM 342 CD2 TYR A 23 8.700 -9.353 17.689 1.00 51.31 C ATOM 343 CE1 TYR A 23 8.047 -7.528 19.652 1.00 14.23 C ATOM 344 CE2 TYR A 23 9.472 -8.220 17.859 1.00 23.02 C ATOM 345 CZ TYR A 23 9.141 -7.310 18.842 1.00 63.42 C ATOM 346 OH TYR A 23 9.907 -6.181 19.015 1.00 5.44 O ATOM 0 H TYR A 23 4.454 -10.597 19.169 1.00 73.34 H new ATOM 0 HA TYR A 23 5.657 -9.671 16.865 1.00 34.23 H new ATOM 0 HB2 TYR A 23 6.397 -11.177 19.275 1.00 33.24 H new ATOM 0 HB3 TYR A 23 7.377 -11.630 17.894 1.00 33.24 H new ATOM 0 HD1 TYR A 23 6.426 -8.832 20.114 1.00 51.11 H new ATOM 0 HD2 TYR A 23 8.962 -10.063 16.919 1.00 51.31 H new ATOM 0 HE1 TYR A 23 7.790 -6.814 20.421 1.00 14.23 H new ATOM 0 HE2 TYR A 23 10.330 -8.047 17.226 1.00 23.02 H new ATOM 0 HH TYR A 23 9.354 -5.385 18.869 1.00 5.44 H new ATOM 356 N ARG A 24 4.749 -12.792 16.639 1.00 22.13 N ATOM 357 CA ARG A 24 4.615 -13.921 15.727 1.00 34.40 C ATOM 358 C ARG A 24 3.714 -13.564 14.548 1.00 1.32 C ATOM 359 O ARG A 24 3.955 -13.990 13.420 1.00 62.15 O ATOM 360 CB ARG A 24 4.048 -15.136 16.465 1.00 3.20 C ATOM 361 CG ARG A 24 2.580 -14.995 16.832 1.00 60.40 C ATOM 362 CD ARG A 24 1.678 -15.580 15.756 1.00 45.53 C ATOM 363 NE ARG A 24 0.551 -16.313 16.325 1.00 51.33 N ATOM 364 CZ ARG A 24 0.677 -17.459 16.984 1.00 61.24 C ATOM 365 NH1 ARG A 24 1.875 -18.000 17.156 1.00 62.20 N ATOM 366 NH2 ARG A 24 -0.397 -18.067 17.472 1.00 3.33 N ATOM 0 H ARG A 24 4.228 -12.889 17.510 1.00 22.13 H new ATOM 0 HA ARG A 24 5.606 -14.166 15.344 1.00 34.40 H new ATOM 0 HB2 ARG A 24 4.174 -16.021 15.841 1.00 3.20 H new ATOM 0 HB3 ARG A 24 4.627 -15.301 17.374 1.00 3.20 H new ATOM 0 HG2 ARG A 24 2.391 -15.498 17.780 1.00 60.40 H new ATOM 0 HG3 ARG A 24 2.340 -13.942 16.977 1.00 60.40 H new ATOM 0 HD2 ARG A 24 1.304 -14.777 15.120 1.00 45.53 H new ATOM 0 HD3 ARG A 24 2.259 -16.247 15.119 1.00 45.53 H new ATOM 0 HE ARG A 24 -0.385 -15.923 16.210 1.00 51.33 H new ATOM 0 HH11 ARG A 24 2.703 -17.536 16.782 1.00 62.20 H new ATOM 0 HH12 ARG A 24 1.969 -18.880 17.663 1.00 62.20 H new ATOM 0 HH21 ARG A 24 -1.320 -17.654 17.341 1.00 3.33 H new ATOM 0 HH22 ARG A 24 -0.299 -18.947 17.978 1.00 3.33 H new ATOM 380 N GLU A 25 2.676 -12.779 14.820 1.00 50.21 N ATOM 381 CA GLU A 25 1.739 -12.366 13.782 1.00 43.45 C ATOM 382 C GLU A 25 2.341 -11.266 12.912 1.00 45.30 C ATOM 383 O GLU A 25 1.962 -11.098 11.753 1.00 20.24 O ATOM 384 CB GLU A 25 0.432 -11.877 14.408 1.00 33.13 C ATOM 385 CG GLU A 25 0.377 -10.372 14.607 1.00 41.32 C ATOM 386 CD GLU A 25 -0.120 -9.639 13.376 1.00 1.51 C ATOM 387 OE1 GLU A 25 -1.136 -10.075 12.796 1.00 32.22 O ATOM 388 OE2 GLU A 25 0.507 -8.629 12.993 1.00 70.04 O ATOM 0 H GLU A 25 2.463 -12.417 15.749 1.00 50.21 H new ATOM 0 HA GLU A 25 1.530 -13.231 13.152 1.00 43.45 H new ATOM 0 HB2 GLU A 25 -0.401 -12.182 13.774 1.00 33.13 H new ATOM 0 HB3 GLU A 25 0.295 -12.367 15.372 1.00 33.13 H new ATOM 0 HG2 GLU A 25 -0.276 -10.144 15.449 1.00 41.32 H new ATOM 0 HG3 GLU A 25 1.371 -10.007 14.866 1.00 41.32 H new ATOM 395 N ALA A 26 3.282 -10.518 13.481 1.00 71.34 N ATOM 396 CA ALA A 26 3.938 -9.436 12.758 1.00 11.41 C ATOM 397 C ALA A 26 4.964 -9.978 11.769 1.00 74.23 C ATOM 398 O ALA A 26 4.970 -9.601 10.596 1.00 22.30 O ATOM 399 CB ALA A 26 4.600 -8.475 13.734 1.00 2.14 C ATOM 0 H ALA A 26 3.606 -10.642 14.440 1.00 71.34 H new ATOM 0 HA ALA A 26 3.178 -8.897 12.193 1.00 11.41 H new ATOM 0 HB1 ALA A 26 5.086 -7.672 13.180 1.00 2.14 H new ATOM 0 HB2 ALA A 26 3.845 -8.053 14.398 1.00 2.14 H new ATOM 0 HB3 ALA A 26 5.344 -9.011 14.324 1.00 2.14 H new ATOM 405 N LEU A 27 5.830 -10.864 12.248 1.00 32.00 N ATOM 406 CA LEU A 27 6.862 -11.458 11.405 1.00 34.53 C ATOM 407 C LEU A 27 6.243 -12.160 10.200 1.00 1.22 C ATOM 408 O LEU A 27 6.863 -12.260 9.141 1.00 74.30 O ATOM 409 CB LEU A 27 7.698 -12.452 12.214 1.00 45.53 C ATOM 410 CG LEU A 27 8.918 -11.873 12.932 1.00 11.22 C ATOM 411 CD1 LEU A 27 9.624 -12.952 13.739 1.00 40.44 C ATOM 412 CD2 LEU A 27 9.875 -11.239 11.933 1.00 73.11 C ATOM 0 H LEU A 27 5.838 -11.187 13.215 1.00 32.00 H new ATOM 0 HA LEU A 27 7.508 -10.657 11.044 1.00 34.53 H new ATOM 0 HB2 LEU A 27 7.052 -12.920 12.957 1.00 45.53 H new ATOM 0 HB3 LEU A 27 8.037 -13.242 11.544 1.00 45.53 H new ATOM 0 HG LEU A 27 8.577 -11.098 13.619 1.00 11.22 H new ATOM 0 HD11 LEU A 27 10.489 -12.522 14.243 1.00 40.44 H new ATOM 0 HD12 LEU A 27 8.937 -13.359 14.481 1.00 40.44 H new ATOM 0 HD13 LEU A 27 9.952 -13.749 13.072 1.00 40.44 H new ATOM 0 HD21 LEU A 27 10.737 -10.833 12.462 1.00 73.11 H new ATOM 0 HD22 LEU A 27 10.209 -11.993 11.220 1.00 73.11 H new ATOM 0 HD23 LEU A 27 9.365 -10.437 11.400 1.00 73.11 H new ATOM 424 N LYS A 28 5.016 -12.642 10.368 1.00 25.22 N ATOM 425 CA LYS A 28 4.311 -13.331 9.294 1.00 21.32 C ATOM 426 C LYS A 28 4.327 -12.503 8.014 1.00 40.25 C ATOM 427 O LYS A 28 4.326 -13.048 6.909 1.00 35.24 O ATOM 428 CB LYS A 28 2.867 -13.621 9.709 1.00 72.34 C ATOM 429 CG LYS A 28 2.401 -15.023 9.352 1.00 4.43 C ATOM 430 CD LYS A 28 1.229 -15.457 10.215 1.00 33.03 C ATOM 431 CE LYS A 28 0.768 -16.863 9.863 1.00 22.21 C ATOM 432 NZ LYS A 28 -0.490 -16.852 9.067 1.00 50.33 N ATOM 0 H LYS A 28 4.489 -12.568 11.238 1.00 25.22 H new ATOM 0 HA LYS A 28 4.824 -14.273 9.102 1.00 21.32 H new ATOM 0 HB2 LYS A 28 2.772 -13.479 10.785 1.00 72.34 H new ATOM 0 HB3 LYS A 28 2.208 -12.896 9.232 1.00 72.34 H new ATOM 0 HG2 LYS A 28 2.112 -15.055 8.301 1.00 4.43 H new ATOM 0 HG3 LYS A 28 3.226 -15.725 9.477 1.00 4.43 H new ATOM 0 HD2 LYS A 28 1.516 -15.420 11.266 1.00 33.03 H new ATOM 0 HD3 LYS A 28 0.402 -14.759 10.085 1.00 33.03 H new ATOM 0 HE2 LYS A 28 1.550 -17.371 9.299 1.00 22.21 H new ATOM 0 HE3 LYS A 28 0.613 -17.434 10.778 1.00 22.21 H new ATOM 0 HZ1 LYS A 28 -0.771 -17.829 8.848 1.00 50.33 H new ATOM 0 HZ2 LYS A 28 -1.244 -16.390 9.615 1.00 50.33 H new ATOM 0 HZ3 LYS A 28 -0.336 -16.329 8.181 1.00 50.33 H new ATOM 446 N HIS A 29 4.344 -11.183 8.168 1.00 14.32 N ATOM 447 CA HIS A 29 4.362 -10.279 7.023 1.00 1.04 C ATOM 448 C HIS A 29 5.670 -10.411 6.248 1.00 13.34 C ATOM 449 O HIS A 29 5.675 -10.423 5.017 1.00 30.12 O ATOM 450 CB HIS A 29 4.173 -8.834 7.485 1.00 55.43 C ATOM 451 CG HIS A 29 3.308 -8.022 6.570 1.00 15.35 C ATOM 452 ND1 HIS A 29 2.288 -7.211 7.022 1.00 12.14 N ATOM 453 CD2 HIS A 29 3.316 -7.897 5.223 1.00 73.53 C ATOM 454 CE1 HIS A 29 1.705 -6.624 5.992 1.00 21.40 C ATOM 455 NE2 HIS A 29 2.310 -7.024 4.888 1.00 5.21 N ATOM 0 H HIS A 29 4.346 -10.715 9.074 1.00 14.32 H new ATOM 0 HA HIS A 29 3.539 -10.552 6.362 1.00 1.04 H new ATOM 0 HB2 HIS A 29 3.733 -8.834 8.482 1.00 55.43 H new ATOM 0 HB3 HIS A 29 5.149 -8.357 7.567 1.00 55.43 H new ATOM 0 HD2 HIS A 29 3.989 -8.392 4.538 1.00 73.53 H new ATOM 0 HE1 HIS A 29 0.875 -5.935 6.044 1.00 21.40 H new ATOM 0 HE2 HIS A 29 2.069 -6.732 3.941 1.00 5.21 H new ATOM 463 N PHE A 30 6.777 -10.508 6.977 1.00 13.12 N ATOM 464 CA PHE A 30 8.091 -10.637 6.358 1.00 13.21 C ATOM 465 C PHE A 30 8.230 -11.982 5.652 1.00 32.53 C ATOM 466 O PHE A 30 8.772 -12.065 4.549 1.00 14.11 O ATOM 467 CB PHE A 30 9.191 -10.484 7.410 1.00 31.15 C ATOM 468 CG PHE A 30 10.552 -10.243 6.824 1.00 44.13 C ATOM 469 CD1 PHE A 30 10.867 -9.023 6.247 1.00 55.01 C ATOM 470 CD2 PHE A 30 11.518 -11.236 6.849 1.00 72.55 C ATOM 471 CE1 PHE A 30 12.119 -8.798 5.706 1.00 14.44 C ATOM 472 CE2 PHE A 30 12.772 -11.017 6.310 1.00 15.20 C ATOM 473 CZ PHE A 30 13.072 -9.796 5.737 1.00 31.41 C ATOM 0 H PHE A 30 6.790 -10.500 7.997 1.00 13.12 H new ATOM 0 HA PHE A 30 8.195 -9.845 5.616 1.00 13.21 H new ATOM 0 HB2 PHE A 30 8.937 -9.656 8.071 1.00 31.15 H new ATOM 0 HB3 PHE A 30 9.223 -11.384 8.024 1.00 31.15 H new ATOM 0 HD1 PHE A 30 10.125 -8.238 6.220 1.00 55.01 H new ATOM 0 HD2 PHE A 30 11.289 -12.193 7.295 1.00 72.55 H new ATOM 0 HE1 PHE A 30 12.351 -7.842 5.260 1.00 14.44 H new ATOM 0 HE2 PHE A 30 13.516 -11.799 6.337 1.00 15.20 H new ATOM 0 HZ PHE A 30 14.051 -9.623 5.314 1.00 31.41 H new ATOM 483 N LEU A 31 7.737 -13.035 6.296 1.00 4.11 N ATOM 484 CA LEU A 31 7.806 -14.378 5.732 1.00 64.35 C ATOM 485 C LEU A 31 7.124 -14.432 4.368 1.00 3.33 C ATOM 486 O LEU A 31 7.505 -15.220 3.503 1.00 64.12 O ATOM 487 CB LEU A 31 7.155 -15.386 6.680 1.00 13.34 C ATOM 488 CG LEU A 31 8.019 -16.579 7.090 1.00 44.51 C ATOM 489 CD1 LEU A 31 9.184 -16.122 7.954 1.00 45.41 C ATOM 490 CD2 LEU A 31 7.183 -17.616 7.824 1.00 21.24 C ATOM 0 H LEU A 31 7.285 -12.984 7.209 1.00 4.11 H new ATOM 0 HA LEU A 31 8.857 -14.637 5.603 1.00 64.35 H new ATOM 0 HB2 LEU A 31 6.848 -14.859 7.583 1.00 13.34 H new ATOM 0 HB3 LEU A 31 6.249 -15.765 6.208 1.00 13.34 H new ATOM 0 HG LEU A 31 8.421 -17.039 6.187 1.00 44.51 H new ATOM 0 HD11 LEU A 31 9.788 -16.984 8.236 1.00 45.41 H new ATOM 0 HD12 LEU A 31 9.798 -15.417 7.394 1.00 45.41 H new ATOM 0 HD13 LEU A 31 8.802 -15.637 8.852 1.00 45.41 H new ATOM 0 HD21 LEU A 31 7.815 -18.458 8.108 1.00 21.24 H new ATOM 0 HD22 LEU A 31 6.751 -17.168 8.719 1.00 21.24 H new ATOM 0 HD23 LEU A 31 6.383 -17.966 7.172 1.00 21.24 H new ATOM 502 N ASP A 32 6.116 -13.587 4.184 1.00 51.13 N ATOM 503 CA ASP A 32 5.382 -13.535 2.924 1.00 24.23 C ATOM 504 C ASP A 32 6.240 -12.924 1.821 1.00 51.42 C ATOM 505 O ASP A 32 6.104 -13.274 0.649 1.00 1.52 O ATOM 506 CB ASP A 32 4.094 -12.728 3.093 1.00 61.34 C ATOM 507 CG ASP A 32 2.899 -13.404 2.449 1.00 23.32 C ATOM 508 OD1 ASP A 32 3.005 -13.799 1.269 1.00 51.33 O ATOM 509 OD2 ASP A 32 1.859 -13.540 3.126 1.00 1.23 O ATOM 0 H ASP A 32 5.788 -12.929 4.891 1.00 51.13 H new ATOM 0 HA ASP A 32 5.127 -14.555 2.637 1.00 24.23 H new ATOM 0 HB2 ASP A 32 3.897 -12.582 4.155 1.00 61.34 H new ATOM 0 HB3 ASP A 32 4.228 -11.739 2.655 1.00 61.34 H new ATOM 514 N GLY A 33 7.123 -12.006 2.204 1.00 21.50 N ATOM 515 CA GLY A 33 7.989 -11.360 1.235 1.00 13.23 C ATOM 516 C GLY A 33 9.113 -12.263 0.768 1.00 74.21 C ATOM 517 O GLY A 33 9.449 -12.286 -0.415 1.00 71.13 O ATOM 0 H GLY A 33 7.254 -11.699 3.168 1.00 21.50 H new ATOM 0 HA2 GLY A 33 7.397 -11.048 0.375 1.00 13.23 H new ATOM 0 HA3 GLY A 33 8.412 -10.457 1.676 1.00 13.23 H new ATOM 521 N GLY A 34 9.697 -13.009 1.700 1.00 31.55 N ATOM 522 CA GLY A 34 10.785 -13.907 1.358 1.00 34.23 C ATOM 523 C GLY A 34 10.402 -14.895 0.274 1.00 33.35 C ATOM 524 O GLY A 34 11.251 -15.339 -0.497 1.00 62.21 O ATOM 0 H GLY A 34 9.436 -13.008 2.686 1.00 31.55 H new ATOM 0 HA2 GLY A 34 11.643 -13.323 1.026 1.00 34.23 H new ATOM 0 HA3 GLY A 34 11.096 -14.452 2.249 1.00 34.23 H new ATOM 528 N GLU A 35 9.119 -15.241 0.217 1.00 24.44 N ATOM 529 CA GLU A 35 8.627 -16.186 -0.779 1.00 4.32 C ATOM 530 C GLU A 35 8.588 -15.545 -2.163 1.00 53.21 C ATOM 531 O GLU A 35 8.511 -16.238 -3.177 1.00 43.43 O ATOM 532 CB GLU A 35 7.233 -16.685 -0.396 1.00 13.13 C ATOM 533 CG GLU A 35 7.176 -17.340 0.974 1.00 72.41 C ATOM 534 CD GLU A 35 7.045 -18.849 0.894 1.00 62.03 C ATOM 535 OE1 GLU A 35 7.917 -19.488 0.268 1.00 35.22 O ATOM 536 OE2 GLU A 35 6.071 -19.390 1.457 1.00 32.22 O ATOM 0 H GLU A 35 8.403 -14.881 0.848 1.00 24.44 H new ATOM 0 HA GLU A 35 9.312 -17.033 -0.809 1.00 4.32 H new ATOM 0 HB2 GLU A 35 6.537 -15.846 -0.418 1.00 13.13 H new ATOM 0 HB3 GLU A 35 6.894 -17.400 -1.146 1.00 13.13 H new ATOM 0 HG2 GLU A 35 8.078 -17.086 1.532 1.00 72.41 H new ATOM 0 HG3 GLU A 35 6.332 -16.935 1.532 1.00 72.41 H new ATOM 543 N MET A 36 8.639 -14.217 -2.196 1.00 25.23 N ATOM 544 CA MET A 36 8.610 -13.482 -3.455 1.00 20.30 C ATOM 545 C MET A 36 9.895 -13.707 -4.246 1.00 30.03 C ATOM 546 O MET A 36 9.861 -13.891 -5.463 1.00 23.12 O ATOM 547 CB MET A 36 8.413 -11.988 -3.194 1.00 0.15 C ATOM 548 CG MET A 36 7.144 -11.668 -2.420 1.00 71.34 C ATOM 549 SD MET A 36 5.675 -11.665 -3.467 1.00 24.44 S ATOM 550 CE MET A 36 5.135 -13.364 -3.296 1.00 73.40 C ATOM 0 H MET A 36 8.701 -13.628 -1.365 1.00 25.23 H new ATOM 0 HA MET A 36 7.772 -13.854 -4.044 1.00 20.30 H new ATOM 0 HB2 MET A 36 9.272 -11.608 -2.641 1.00 0.15 H new ATOM 0 HB3 MET A 36 8.390 -11.461 -4.148 1.00 0.15 H new ATOM 0 HG2 MET A 36 7.015 -12.399 -1.622 1.00 71.34 H new ATOM 0 HG3 MET A 36 7.249 -10.693 -1.945 1.00 71.34 H new ATOM 0 HE1 MET A 36 5.043 -13.817 -4.283 1.00 73.40 H new ATOM 0 HE2 MET A 36 5.865 -13.920 -2.708 1.00 73.40 H new ATOM 0 HE3 MET A 36 4.168 -13.390 -2.793 1.00 73.40 H new ATOM 560 N ILE A 37 11.025 -13.690 -3.547 1.00 30.31 N ATOM 561 CA ILE A 37 12.320 -13.893 -4.185 1.00 31.14 C ATOM 562 C ILE A 37 12.584 -15.374 -4.435 1.00 34.13 C ATOM 563 O ILE A 37 13.334 -15.738 -5.340 1.00 50.13 O ATOM 564 CB ILE A 37 13.464 -13.317 -3.331 1.00 5.55 C ATOM 565 CG1 ILE A 37 14.685 -13.024 -4.205 1.00 41.53 C ATOM 566 CG2 ILE A 37 13.827 -14.281 -2.211 1.00 5.40 C ATOM 567 CD1 ILE A 37 15.763 -12.235 -3.494 1.00 73.24 C ATOM 0 H ILE A 37 11.070 -13.538 -2.539 1.00 30.31 H new ATOM 0 HA ILE A 37 12.288 -13.366 -5.139 1.00 31.14 H new ATOM 0 HB ILE A 37 13.128 -12.382 -2.884 1.00 5.55 H new ATOM 0 HG12 ILE A 37 15.107 -13.967 -4.554 1.00 41.53 H new ATOM 0 HG13 ILE A 37 14.365 -12.472 -5.089 1.00 41.53 H new ATOM 0 HG21 ILE A 37 14.637 -13.859 -1.616 1.00 5.40 H new ATOM 0 HG22 ILE A 37 12.957 -14.444 -1.575 1.00 5.40 H new ATOM 0 HG23 ILE A 37 14.147 -15.231 -2.638 1.00 5.40 H new ATOM 0 HD11 ILE A 37 16.598 -12.064 -4.174 1.00 73.24 H new ATOM 0 HD12 ILE A 37 15.358 -11.277 -3.169 1.00 73.24 H new ATOM 0 HD13 ILE A 37 16.111 -12.795 -2.626 1.00 73.24 H new ATOM 579 N VAL A 38 11.960 -16.225 -3.627 1.00 32.45 N ATOM 580 CA VAL A 38 12.124 -17.668 -3.762 1.00 3.25 C ATOM 581 C VAL A 38 11.369 -18.196 -4.976 1.00 12.21 C ATOM 582 O VAL A 38 11.939 -18.877 -5.829 1.00 22.14 O ATOM 583 CB VAL A 38 11.634 -18.409 -2.503 1.00 52.25 C ATOM 584 CG1 VAL A 38 11.751 -19.914 -2.690 1.00 43.22 C ATOM 585 CG2 VAL A 38 12.413 -17.953 -1.279 1.00 42.22 C ATOM 0 H VAL A 38 11.336 -15.940 -2.872 1.00 32.45 H new ATOM 0 HA VAL A 38 13.190 -17.855 -3.892 1.00 3.25 H new ATOM 0 HB VAL A 38 10.583 -18.167 -2.346 1.00 52.25 H new ATOM 0 HG11 VAL A 38 11.400 -20.421 -1.791 1.00 43.22 H new ATOM 0 HG12 VAL A 38 11.144 -20.223 -3.541 1.00 43.22 H new ATOM 0 HG13 VAL A 38 12.793 -20.178 -2.873 1.00 43.22 H new ATOM 0 HG21 VAL A 38 12.053 -18.487 -0.399 1.00 42.22 H new ATOM 0 HG22 VAL A 38 13.473 -18.163 -1.423 1.00 42.22 H new ATOM 0 HG23 VAL A 38 12.272 -16.882 -1.136 1.00 42.22 H new ATOM 595 N THR A 39 10.080 -17.876 -5.049 1.00 63.53 N ATOM 596 CA THR A 39 9.245 -18.319 -6.159 1.00 3.21 C ATOM 597 C THR A 39 9.887 -17.979 -7.499 1.00 53.43 C ATOM 598 O THR A 39 9.689 -18.682 -8.489 1.00 74.32 O ATOM 599 CB THR A 39 7.844 -17.681 -6.097 1.00 24.54 C ATOM 600 OG1 THR A 39 6.978 -18.309 -7.049 1.00 1.32 O ATOM 601 CG2 THR A 39 7.916 -16.188 -6.376 1.00 4.23 C ATOM 0 H THR A 39 9.592 -17.312 -4.353 1.00 63.53 H new ATOM 0 HA THR A 39 9.148 -19.401 -6.070 1.00 3.21 H new ATOM 0 HB THR A 39 7.446 -17.827 -5.093 1.00 24.54 H new ATOM 0 HG1 THR A 39 6.089 -17.899 -7.003 1.00 1.32 H new ATOM 0 HG21 THR A 39 6.915 -15.760 -6.327 1.00 4.23 H new ATOM 0 HG22 THR A 39 8.552 -15.709 -5.632 1.00 4.23 H new ATOM 0 HG23 THR A 39 8.332 -16.023 -7.370 1.00 4.23 H new ATOM 609 N ALA A 40 10.657 -16.896 -7.524 1.00 12.33 N ATOM 610 CA ALA A 40 11.330 -16.464 -8.743 1.00 33.24 C ATOM 611 C ALA A 40 12.513 -17.369 -9.066 1.00 64.51 C ATOM 612 O ALA A 40 12.796 -17.644 -10.232 1.00 22.32 O ATOM 613 CB ALA A 40 11.789 -15.020 -8.609 1.00 15.30 C ATOM 0 H ALA A 40 10.830 -16.301 -6.713 1.00 12.33 H new ATOM 0 HA ALA A 40 10.618 -16.532 -9.566 1.00 33.24 H new ATOM 0 HB1 ALA A 40 12.290 -14.711 -9.526 1.00 15.30 H new ATOM 0 HB2 ALA A 40 10.925 -14.379 -8.433 1.00 15.30 H new ATOM 0 HB3 ALA A 40 12.481 -14.934 -7.771 1.00 15.30 H new ATOM 619 N ALA A 41 13.202 -17.829 -8.027 1.00 22.33 N ATOM 620 CA ALA A 41 14.355 -18.705 -8.201 1.00 14.41 C ATOM 621 C ALA A 41 13.919 -20.117 -8.577 1.00 44.24 C ATOM 622 O ALA A 41 14.489 -20.732 -9.478 1.00 50.43 O ATOM 623 CB ALA A 41 15.195 -18.730 -6.933 1.00 12.33 C ATOM 0 H ALA A 41 12.982 -17.610 -7.055 1.00 22.33 H new ATOM 0 HA ALA A 41 14.961 -18.310 -9.017 1.00 14.41 H new ATOM 0 HB1 ALA A 41 16.052 -19.388 -7.077 1.00 12.33 H new ATOM 0 HB2 ALA A 41 15.545 -17.722 -6.708 1.00 12.33 H new ATOM 0 HB3 ALA A 41 14.591 -19.098 -6.104 1.00 12.33 H new ATOM 629 N GLU A 42 12.907 -20.625 -7.881 1.00 3.20 N ATOM 630 CA GLU A 42 12.398 -21.966 -8.143 1.00 12.25 C ATOM 631 C GLU A 42 11.919 -22.094 -9.586 1.00 11.13 C ATOM 632 O GLU A 42 12.369 -22.969 -10.326 1.00 55.11 O ATOM 633 CB GLU A 42 11.253 -22.297 -7.182 1.00 43.25 C ATOM 634 CG GLU A 42 11.674 -22.330 -5.723 1.00 14.13 C ATOM 635 CD GLU A 42 10.943 -23.396 -4.929 1.00 50.32 C ATOM 636 OE1 GLU A 42 9.843 -23.104 -4.415 1.00 5.34 O ATOM 637 OE2 GLU A 42 11.472 -24.522 -4.823 1.00 75.44 O ATOM 0 H GLU A 42 12.424 -20.129 -7.132 1.00 3.20 H new ATOM 0 HA GLU A 42 13.212 -22.674 -7.985 1.00 12.25 H new ATOM 0 HB2 GLU A 42 10.461 -21.559 -7.306 1.00 43.25 H new ATOM 0 HB3 GLU A 42 10.832 -23.265 -7.452 1.00 43.25 H new ATOM 0 HG2 GLU A 42 12.747 -22.509 -5.662 1.00 14.13 H new ATOM 0 HG3 GLU A 42 11.488 -21.355 -5.273 1.00 14.13 H new ATOM 644 N LYS A 43 11.003 -21.216 -9.979 1.00 13.40 N ATOM 645 CA LYS A 43 10.462 -21.228 -11.333 1.00 34.02 C ATOM 646 C LYS A 43 11.568 -21.026 -12.363 1.00 3.10 C ATOM 647 O LYS A 43 11.443 -21.448 -13.512 1.00 20.21 O ATOM 648 CB LYS A 43 9.399 -20.138 -11.490 1.00 1.25 C ATOM 649 CG LYS A 43 7.987 -20.680 -11.624 1.00 53.11 C ATOM 650 CD LYS A 43 6.954 -19.665 -11.164 1.00 53.12 C ATOM 651 CE LYS A 43 6.268 -18.993 -12.344 1.00 64.23 C ATOM 652 NZ LYS A 43 7.042 -17.822 -12.842 1.00 20.11 N ATOM 0 H LYS A 43 10.619 -20.486 -9.378 1.00 13.40 H new ATOM 0 HA LYS A 43 10.003 -22.202 -11.505 1.00 34.02 H new ATOM 0 HB2 LYS A 43 9.443 -19.472 -10.628 1.00 1.25 H new ATOM 0 HB3 LYS A 43 9.634 -19.537 -12.369 1.00 1.25 H new ATOM 0 HG2 LYS A 43 7.797 -20.949 -12.663 1.00 53.11 H new ATOM 0 HG3 LYS A 43 7.889 -21.592 -11.036 1.00 53.11 H new ATOM 0 HD2 LYS A 43 6.208 -20.160 -10.542 1.00 53.12 H new ATOM 0 HD3 LYS A 43 7.436 -18.909 -10.544 1.00 53.12 H new ATOM 0 HE2 LYS A 43 6.143 -19.715 -13.151 1.00 64.23 H new ATOM 0 HE3 LYS A 43 5.270 -18.669 -12.048 1.00 64.23 H new ATOM 0 HZ1 LYS A 43 6.542 -17.392 -13.646 1.00 20.11 H new ATOM 0 HZ2 LYS A 43 7.140 -17.121 -12.080 1.00 20.11 H new ATOM 0 HZ3 LYS A 43 7.985 -18.134 -13.148 1.00 20.11 H new ATOM 666 N GLU A 44 12.651 -20.379 -11.943 1.00 30.03 N ATOM 667 CA GLU A 44 13.779 -20.122 -12.830 1.00 63.50 C ATOM 668 C GLU A 44 14.810 -21.244 -12.738 1.00 10.02 C ATOM 669 O GLU A 44 14.614 -22.224 -12.020 1.00 74.22 O ATOM 670 CB GLU A 44 14.434 -18.783 -12.485 1.00 21.44 C ATOM 671 CG GLU A 44 13.665 -17.579 -13.000 1.00 14.33 C ATOM 672 CD GLU A 44 13.469 -17.610 -14.503 1.00 64.42 C ATOM 673 OE1 GLU A 44 14.407 -18.030 -15.214 1.00 10.12 O ATOM 674 OE2 GLU A 44 12.380 -17.216 -14.969 1.00 42.00 O ATOM 0 H GLU A 44 12.771 -20.024 -10.994 1.00 30.03 H new ATOM 0 HA GLU A 44 13.402 -20.081 -13.852 1.00 63.50 H new ATOM 0 HB2 GLU A 44 14.533 -18.705 -11.402 1.00 21.44 H new ATOM 0 HB3 GLU A 44 15.442 -18.764 -12.899 1.00 21.44 H new ATOM 0 HG2 GLU A 44 12.691 -17.539 -12.511 1.00 14.33 H new ATOM 0 HG3 GLU A 44 14.197 -16.668 -12.726 1.00 14.33 H new ATOM 681 N ALA A 45 15.909 -21.092 -13.470 1.00 55.31 N ATOM 682 CA ALA A 45 16.971 -22.090 -13.470 1.00 52.23 C ATOM 683 C ALA A 45 18.215 -21.567 -14.180 1.00 2.22 C ATOM 684 O ALA A 45 19.337 -21.761 -13.711 1.00 34.23 O ATOM 685 CB ALA A 45 16.488 -23.375 -14.127 1.00 14.35 C ATOM 0 H ALA A 45 16.087 -20.287 -14.071 1.00 55.31 H new ATOM 0 HA ALA A 45 17.237 -22.302 -12.434 1.00 52.23 H new ATOM 0 HB1 ALA A 45 17.291 -24.112 -14.120 1.00 14.35 H new ATOM 0 HB2 ALA A 45 15.633 -23.766 -13.576 1.00 14.35 H new ATOM 0 HB3 ALA A 45 16.194 -23.169 -15.156 1.00 14.35 H new ATOM 691 N SER A 46 18.010 -20.903 -15.313 1.00 31.11 N ATOM 692 CA SER A 46 19.116 -20.356 -16.090 1.00 1.04 C ATOM 693 C SER A 46 19.389 -18.906 -15.700 1.00 21.43 C ATOM 694 O SER A 46 19.404 -18.017 -16.550 1.00 10.21 O ATOM 695 CB SER A 46 18.809 -20.444 -17.586 1.00 24.42 C ATOM 696 OG SER A 46 19.021 -21.758 -18.073 1.00 33.31 O ATOM 0 H SER A 46 17.088 -20.731 -15.713 1.00 31.11 H new ATOM 0 HA SER A 46 20.006 -20.946 -15.874 1.00 1.04 H new ATOM 0 HB2 SER A 46 17.776 -20.148 -17.767 1.00 24.42 H new ATOM 0 HB3 SER A 46 19.441 -19.744 -18.132 1.00 24.42 H new ATOM 0 HG SER A 46 18.816 -21.789 -19.031 1.00 33.31 H new ATOM 702 N GLN A 47 19.604 -18.678 -14.408 1.00 62.21 N ATOM 703 CA GLN A 47 19.876 -17.337 -13.905 1.00 11.02 C ATOM 704 C GLN A 47 21.049 -17.348 -12.931 1.00 24.42 C ATOM 705 O GLN A 47 21.142 -18.217 -12.063 1.00 53.01 O ATOM 706 CB GLN A 47 18.634 -16.766 -13.219 1.00 11.52 C ATOM 707 CG GLN A 47 18.503 -15.257 -13.356 1.00 32.31 C ATOM 708 CD GLN A 47 18.204 -14.824 -14.778 1.00 33.43 C ATOM 709 OE1 GLN A 47 19.115 -14.584 -15.570 1.00 73.04 O ATOM 710 NE2 GLN A 47 16.922 -14.723 -15.109 1.00 13.35 N ATOM 0 H GLN A 47 19.595 -19.404 -13.692 1.00 62.21 H new ATOM 0 HA GLN A 47 20.138 -16.704 -14.753 1.00 11.02 H new ATOM 0 HB2 GLN A 47 17.747 -17.239 -13.640 1.00 11.52 H new ATOM 0 HB3 GLN A 47 18.662 -17.025 -12.161 1.00 11.52 H new ATOM 0 HG2 GLN A 47 17.709 -14.904 -12.698 1.00 32.31 H new ATOM 0 HG3 GLN A 47 19.427 -14.784 -13.023 1.00 32.31 H new ATOM 0 HE21 GLN A 47 16.199 -14.932 -14.420 1.00 13.35 H new ATOM 0 HE22 GLN A 47 16.660 -14.437 -16.052 1.00 13.35 H new ATOM 719 N LYS A 48 21.945 -16.378 -13.080 1.00 62.51 N ATOM 720 CA LYS A 48 23.113 -16.275 -12.214 1.00 24.24 C ATOM 721 C LYS A 48 22.743 -15.650 -10.873 1.00 13.42 C ATOM 722 O LYS A 48 23.346 -15.957 -9.845 1.00 20.42 O ATOM 723 CB LYS A 48 24.205 -15.444 -12.892 1.00 20.23 C ATOM 724 CG LYS A 48 24.677 -16.023 -14.214 1.00 62.40 C ATOM 725 CD LYS A 48 26.170 -15.817 -14.412 1.00 34.41 C ATOM 726 CE LYS A 48 26.921 -17.140 -14.405 1.00 34.04 C ATOM 727 NZ LYS A 48 27.386 -17.506 -13.038 1.00 60.13 N ATOM 0 H LYS A 48 21.884 -15.651 -13.793 1.00 62.51 H new ATOM 0 HA LYS A 48 23.490 -17.282 -12.034 1.00 24.24 H new ATOM 0 HB2 LYS A 48 23.830 -14.435 -13.060 1.00 20.23 H new ATOM 0 HB3 LYS A 48 25.057 -15.359 -12.217 1.00 20.23 H new ATOM 0 HG2 LYS A 48 24.448 -17.088 -14.248 1.00 62.40 H new ATOM 0 HG3 LYS A 48 24.132 -15.553 -15.033 1.00 62.40 H new ATOM 0 HD2 LYS A 48 26.345 -15.303 -15.357 1.00 34.41 H new ATOM 0 HD3 LYS A 48 26.557 -15.173 -13.622 1.00 34.41 H new ATOM 0 HE2 LYS A 48 26.274 -17.927 -14.791 1.00 34.04 H new ATOM 0 HE3 LYS A 48 27.778 -17.075 -15.075 1.00 34.04 H new ATOM 0 HZ1 LYS A 48 27.893 -18.413 -13.075 1.00 60.13 H new ATOM 0 HZ2 LYS A 48 28.024 -16.767 -12.679 1.00 60.13 H new ATOM 0 HZ3 LYS A 48 26.566 -17.593 -12.404 1.00 60.13 H new ATOM 741 N VAL A 49 21.745 -14.771 -10.890 1.00 44.23 N ATOM 742 CA VAL A 49 21.293 -14.104 -9.675 1.00 74.14 C ATOM 743 C VAL A 49 20.423 -15.030 -8.832 1.00 2.21 C ATOM 744 O VAL A 49 20.423 -14.949 -7.603 1.00 61.44 O ATOM 745 CB VAL A 49 20.497 -12.826 -10.000 1.00 3.51 C ATOM 746 CG1 VAL A 49 21.339 -11.869 -10.831 1.00 23.31 C ATOM 747 CG2 VAL A 49 19.203 -13.172 -10.720 1.00 33.15 C ATOM 0 H VAL A 49 21.235 -14.505 -11.732 1.00 44.23 H new ATOM 0 HA VAL A 49 22.186 -13.834 -9.111 1.00 74.14 H new ATOM 0 HB VAL A 49 20.243 -12.330 -9.063 1.00 3.51 H new ATOM 0 HG11 VAL A 49 20.760 -10.972 -11.051 1.00 23.31 H new ATOM 0 HG12 VAL A 49 22.235 -11.595 -10.274 1.00 23.31 H new ATOM 0 HG13 VAL A 49 21.626 -12.353 -11.764 1.00 23.31 H new ATOM 0 HG21 VAL A 49 18.654 -12.257 -10.941 1.00 33.15 H new ATOM 0 HG22 VAL A 49 19.432 -13.692 -11.650 1.00 33.15 H new ATOM 0 HG23 VAL A 49 18.594 -13.816 -10.085 1.00 33.15 H new ATOM 757 N ARG A 50 19.683 -15.909 -9.500 1.00 4.12 N ATOM 758 CA ARG A 50 18.808 -16.850 -8.812 1.00 23.34 C ATOM 759 C ARG A 50 19.510 -17.461 -7.602 1.00 65.03 C ATOM 760 O ARG A 50 18.923 -17.584 -6.528 1.00 65.43 O ATOM 761 CB ARG A 50 18.362 -17.957 -9.768 1.00 73.33 C ATOM 762 CG ARG A 50 17.636 -19.102 -9.080 1.00 1.55 C ATOM 763 CD ARG A 50 18.401 -20.409 -9.216 1.00 53.23 C ATOM 764 NE ARG A 50 19.243 -20.674 -8.053 1.00 61.52 N ATOM 765 CZ ARG A 50 19.724 -21.876 -7.753 1.00 44.34 C ATOM 766 NH1 ARG A 50 19.448 -22.916 -8.527 1.00 63.33 N ATOM 767 NH2 ARG A 50 20.484 -22.038 -6.678 1.00 1.24 N ATOM 0 H ARG A 50 19.672 -15.989 -10.517 1.00 4.12 H new ATOM 0 HA ARG A 50 17.931 -16.304 -8.464 1.00 23.34 H new ATOM 0 HB2 ARG A 50 17.708 -17.528 -10.527 1.00 73.33 H new ATOM 0 HB3 ARG A 50 19.236 -18.352 -10.286 1.00 73.33 H new ATOM 0 HG2 ARG A 50 17.501 -18.866 -8.024 1.00 1.55 H new ATOM 0 HG3 ARG A 50 16.641 -19.215 -9.511 1.00 1.55 H new ATOM 0 HD2 ARG A 50 17.696 -21.230 -9.347 1.00 53.23 H new ATOM 0 HD3 ARG A 50 19.021 -20.375 -10.112 1.00 53.23 H new ATOM 0 HE ARG A 50 19.475 -19.894 -7.437 1.00 61.52 H new ATOM 0 HH11 ARG A 50 18.865 -22.795 -9.355 1.00 63.33 H new ATOM 0 HH12 ARG A 50 19.819 -23.837 -8.294 1.00 63.33 H new ATOM 0 HH21 ARG A 50 20.700 -21.240 -6.081 1.00 1.24 H new ATOM 0 HH22 ARG A 50 20.853 -22.961 -6.448 1.00 1.24 H new ATOM 781 N ASN A 51 20.771 -17.842 -7.786 1.00 55.12 N ATOM 782 CA ASN A 51 21.553 -18.441 -6.711 1.00 15.13 C ATOM 783 C ASN A 51 21.575 -17.534 -5.484 1.00 52.11 C ATOM 784 O ASN A 51 21.318 -17.979 -4.365 1.00 0.25 O ATOM 785 CB ASN A 51 22.982 -18.714 -7.183 1.00 20.33 C ATOM 786 CG ASN A 51 23.817 -19.409 -6.125 1.00 4.24 C ATOM 787 OD1 ASN A 51 23.302 -20.189 -5.324 1.00 14.32 O ATOM 788 ND2 ASN A 51 25.115 -19.128 -6.117 1.00 2.51 N ATOM 0 H ASN A 51 21.272 -17.746 -8.669 1.00 55.12 H new ATOM 0 HA ASN A 51 21.082 -19.385 -6.435 1.00 15.13 H new ATOM 0 HB2 ASN A 51 22.953 -19.330 -8.082 1.00 20.33 H new ATOM 0 HB3 ASN A 51 23.458 -17.772 -7.457 1.00 20.33 H new ATOM 0 HD21 ASN A 51 25.727 -19.565 -5.428 1.00 2.51 H new ATOM 0 HD22 ASN A 51 25.500 -18.475 -6.800 1.00 2.51 H new ATOM 795 N LEU A 52 21.883 -16.260 -5.703 1.00 32.35 N ATOM 796 CA LEU A 52 21.938 -15.289 -4.615 1.00 61.23 C ATOM 797 C LEU A 52 20.537 -14.942 -4.124 1.00 14.41 C ATOM 798 O LEU A 52 20.341 -14.614 -2.953 1.00 21.34 O ATOM 799 CB LEU A 52 22.659 -14.021 -5.074 1.00 42.34 C ATOM 800 CG LEU A 52 23.263 -13.154 -3.969 1.00 33.14 C ATOM 801 CD1 LEU A 52 24.338 -13.922 -3.216 1.00 0.13 C ATOM 802 CD2 LEU A 52 23.831 -11.868 -4.549 1.00 41.45 C ATOM 0 H LEU A 52 22.098 -15.876 -6.623 1.00 32.35 H new ATOM 0 HA LEU A 52 22.492 -15.736 -3.789 1.00 61.23 H new ATOM 0 HB2 LEU A 52 23.457 -14.309 -5.759 1.00 42.34 H new ATOM 0 HB3 LEU A 52 21.955 -13.412 -5.642 1.00 42.34 H new ATOM 0 HG LEU A 52 22.472 -12.893 -3.266 1.00 33.14 H new ATOM 0 HD11 LEU A 52 24.757 -13.289 -2.433 1.00 0.13 H new ATOM 0 HD12 LEU A 52 23.901 -14.814 -2.767 1.00 0.13 H new ATOM 0 HD13 LEU A 52 25.128 -14.214 -3.908 1.00 0.13 H new ATOM 0 HD21 LEU A 52 24.256 -11.264 -3.747 1.00 41.45 H new ATOM 0 HD22 LEU A 52 24.609 -12.108 -5.274 1.00 41.45 H new ATOM 0 HD23 LEU A 52 23.036 -11.309 -5.042 1.00 41.45 H new ATOM 814 N LEU A 53 19.564 -15.017 -5.025 1.00 52.43 N ATOM 815 CA LEU A 53 18.179 -14.712 -4.683 1.00 73.14 C ATOM 816 C LEU A 53 17.689 -15.605 -3.548 1.00 22.22 C ATOM 817 O LEU A 53 16.992 -15.148 -2.641 1.00 22.43 O ATOM 818 CB LEU A 53 17.280 -14.887 -5.909 1.00 31.12 C ATOM 819 CG LEU A 53 17.022 -13.628 -6.738 1.00 25.24 C ATOM 820 CD1 LEU A 53 18.246 -12.725 -6.730 1.00 13.31 C ATOM 821 CD2 LEU A 53 16.639 -13.997 -8.163 1.00 72.52 C ATOM 0 H LEU A 53 19.708 -15.286 -5.998 1.00 52.43 H new ATOM 0 HA LEU A 53 18.133 -13.675 -4.351 1.00 73.14 H new ATOM 0 HB2 LEU A 53 17.727 -15.640 -6.558 1.00 31.12 H new ATOM 0 HB3 LEU A 53 16.320 -15.282 -5.577 1.00 31.12 H new ATOM 0 HG LEU A 53 16.191 -13.084 -6.289 1.00 25.24 H new ATOM 0 HD11 LEU A 53 18.045 -11.834 -7.325 1.00 13.31 H new ATOM 0 HD12 LEU A 53 18.476 -12.433 -5.705 1.00 13.31 H new ATOM 0 HD13 LEU A 53 19.096 -13.260 -7.154 1.00 13.31 H new ATOM 0 HD21 LEU A 53 16.459 -13.089 -8.738 1.00 72.52 H new ATOM 0 HD22 LEU A 53 17.449 -14.563 -8.623 1.00 72.52 H new ATOM 0 HD23 LEU A 53 15.734 -14.604 -8.151 1.00 72.52 H new ATOM 833 N LEU A 54 18.060 -16.880 -3.603 1.00 11.42 N ATOM 834 CA LEU A 54 17.661 -17.837 -2.577 1.00 74.44 C ATOM 835 C LEU A 54 18.490 -17.656 -1.310 1.00 53.50 C ATOM 836 O LEU A 54 17.946 -17.533 -0.212 1.00 32.51 O ATOM 837 CB LEU A 54 17.814 -19.267 -3.100 1.00 15.03 C ATOM 838 CG LEU A 54 17.034 -19.604 -4.371 1.00 34.10 C ATOM 839 CD1 LEU A 54 17.897 -20.409 -5.330 1.00 5.43 C ATOM 840 CD2 LEU A 54 15.761 -20.366 -4.030 1.00 0.43 C ATOM 0 H LEU A 54 18.636 -17.274 -4.347 1.00 11.42 H new ATOM 0 HA LEU A 54 16.615 -17.655 -2.333 1.00 74.44 H new ATOM 0 HB2 LEU A 54 18.872 -19.453 -3.287 1.00 15.03 H new ATOM 0 HB3 LEU A 54 17.503 -19.955 -2.314 1.00 15.03 H new ATOM 0 HG LEU A 54 16.756 -18.671 -4.861 1.00 34.10 H new ATOM 0 HD11 LEU A 54 17.325 -20.639 -6.229 1.00 5.43 H new ATOM 0 HD12 LEU A 54 18.779 -19.829 -5.600 1.00 5.43 H new ATOM 0 HD13 LEU A 54 18.207 -21.337 -4.849 1.00 5.43 H new ATOM 0 HD21 LEU A 54 15.219 -20.597 -4.947 1.00 0.43 H new ATOM 0 HD22 LEU A 54 16.018 -21.293 -3.517 1.00 0.43 H new ATOM 0 HD23 LEU A 54 15.133 -19.754 -3.382 1.00 0.43 H new ATOM 852 N HIS A 55 19.809 -17.636 -1.470 1.00 22.22 N ATOM 853 CA HIS A 55 20.714 -17.466 -0.338 1.00 71.04 C ATOM 854 C HIS A 55 20.374 -16.201 0.443 1.00 2.53 C ATOM 855 O HIS A 55 20.437 -16.182 1.673 1.00 55.33 O ATOM 856 CB HIS A 55 22.163 -17.407 -0.822 1.00 23.55 C ATOM 857 CG HIS A 55 23.161 -17.789 0.229 1.00 74.55 C ATOM 858 ND1 HIS A 55 23.926 -16.867 0.910 1.00 25.30 N ATOM 859 CD2 HIS A 55 23.514 -19.002 0.714 1.00 22.41 C ATOM 860 CE1 HIS A 55 24.709 -17.497 1.768 1.00 4.41 C ATOM 861 NE2 HIS A 55 24.478 -18.793 1.669 1.00 23.34 N ATOM 0 H HIS A 55 20.275 -17.735 -2.372 1.00 22.22 H new ATOM 0 HA HIS A 55 20.595 -18.324 0.324 1.00 71.04 H new ATOM 0 HB2 HIS A 55 22.278 -18.070 -1.679 1.00 23.55 H new ATOM 0 HB3 HIS A 55 22.381 -16.397 -1.169 1.00 23.55 H new ATOM 0 HD2 HIS A 55 23.112 -19.956 0.407 1.00 22.41 H new ATOM 0 HE1 HIS A 55 25.418 -17.031 2.437 1.00 4.41 H new ATOM 0 HE2 HIS A 55 24.941 -19.521 2.214 1.00 23.34 H new ATOM 869 N LYS A 56 20.015 -15.144 -0.278 1.00 45.10 N ATOM 870 CA LYS A 56 19.665 -13.874 0.347 1.00 43.35 C ATOM 871 C LYS A 56 18.299 -13.957 1.019 1.00 12.42 C ATOM 872 O LYS A 56 18.061 -13.320 2.045 1.00 43.34 O ATOM 873 CB LYS A 56 19.666 -12.753 -0.695 1.00 54.51 C ATOM 874 CG LYS A 56 21.056 -12.264 -1.062 1.00 40.31 C ATOM 875 CD LYS A 56 21.766 -11.653 0.134 1.00 24.13 C ATOM 876 CE LYS A 56 23.077 -10.997 -0.271 1.00 25.20 C ATOM 877 NZ LYS A 56 22.915 -9.537 -0.516 1.00 72.43 N ATOM 0 H LYS A 56 19.959 -15.142 -1.296 1.00 45.10 H new ATOM 0 HA LYS A 56 20.412 -13.654 1.109 1.00 43.35 H new ATOM 0 HB2 LYS A 56 19.165 -13.106 -1.596 1.00 54.51 H new ATOM 0 HB3 LYS A 56 19.084 -11.914 -0.314 1.00 54.51 H new ATOM 0 HG2 LYS A 56 21.645 -13.095 -1.450 1.00 40.31 H new ATOM 0 HG3 LYS A 56 20.984 -11.525 -1.860 1.00 40.31 H new ATOM 0 HD2 LYS A 56 21.118 -10.913 0.604 1.00 24.13 H new ATOM 0 HD3 LYS A 56 21.959 -12.426 0.878 1.00 24.13 H new ATOM 0 HE2 LYS A 56 23.818 -11.154 0.512 1.00 25.20 H new ATOM 0 HE3 LYS A 56 23.459 -11.476 -1.172 1.00 25.20 H new ATOM 0 HZ1 LYS A 56 23.831 -9.127 -0.790 1.00 72.43 H new ATOM 0 HZ2 LYS A 56 22.226 -9.388 -1.281 1.00 72.43 H new ATOM 0 HZ3 LYS A 56 22.574 -9.075 0.351 1.00 72.43 H new ATOM 891 N GLY A 57 17.404 -14.748 0.435 1.00 15.53 N ATOM 892 CA GLY A 57 16.073 -14.900 0.993 1.00 14.03 C ATOM 893 C GLY A 57 16.075 -15.681 2.293 1.00 54.43 C ATOM 894 O GLY A 57 15.476 -15.257 3.282 1.00 42.33 O ATOM 0 H GLY A 57 17.577 -15.286 -0.414 1.00 15.53 H new ATOM 0 HA2 GLY A 57 15.640 -13.915 1.165 1.00 14.03 H new ATOM 0 HA3 GLY A 57 15.435 -15.407 0.269 1.00 14.03 H new ATOM 898 N LYS A 58 16.748 -16.826 2.292 1.00 71.02 N ATOM 899 CA LYS A 58 16.826 -17.669 3.479 1.00 73.33 C ATOM 900 C LYS A 58 17.601 -16.972 4.592 1.00 15.50 C ATOM 901 O LYS A 58 17.433 -17.289 5.769 1.00 4.21 O ATOM 902 CB LYS A 58 17.492 -19.004 3.138 1.00 20.24 C ATOM 903 CG LYS A 58 18.864 -18.855 2.503 1.00 14.12 C ATOM 904 CD LYS A 58 19.945 -18.652 3.552 1.00 74.14 C ATOM 905 CE LYS A 58 21.020 -19.724 3.458 1.00 34.14 C ATOM 906 NZ LYS A 58 20.552 -21.027 4.006 1.00 21.54 N ATOM 0 H LYS A 58 17.248 -17.192 1.482 1.00 71.02 H new ATOM 0 HA LYS A 58 15.811 -17.855 3.829 1.00 73.33 H new ATOM 0 HB2 LYS A 58 17.585 -19.597 4.048 1.00 20.24 H new ATOM 0 HB3 LYS A 58 16.845 -19.560 2.459 1.00 20.24 H new ATOM 0 HG2 LYS A 58 19.091 -19.743 1.912 1.00 14.12 H new ATOM 0 HG3 LYS A 58 18.858 -18.008 1.817 1.00 14.12 H new ATOM 0 HD2 LYS A 58 20.398 -17.669 3.424 1.00 74.14 H new ATOM 0 HD3 LYS A 58 19.497 -18.670 4.546 1.00 74.14 H new ATOM 0 HE2 LYS A 58 21.315 -19.853 2.417 1.00 34.14 H new ATOM 0 HE3 LYS A 58 21.906 -19.398 4.002 1.00 34.14 H new ATOM 0 HZ1 LYS A 58 21.313 -21.731 3.924 1.00 21.54 H new ATOM 0 HZ2 LYS A 58 20.295 -20.910 5.007 1.00 21.54 H new ATOM 0 HZ3 LYS A 58 19.721 -21.351 3.470 1.00 21.54 H new ATOM 920 N GLU A 59 18.447 -16.020 4.211 1.00 13.42 N ATOM 921 CA GLU A 59 19.246 -15.277 5.179 1.00 61.32 C ATOM 922 C GLU A 59 18.413 -14.192 5.854 1.00 10.31 C ATOM 923 O GLU A 59 18.236 -14.197 7.072 1.00 2.25 O ATOM 924 CB GLU A 59 20.463 -14.650 4.495 1.00 73.33 C ATOM 925 CG GLU A 59 21.287 -13.762 5.412 1.00 34.51 C ATOM 926 CD GLU A 59 21.619 -14.435 6.730 1.00 0.41 C ATOM 927 OE1 GLU A 59 22.664 -15.114 6.803 1.00 2.24 O ATOM 928 OE2 GLU A 59 20.833 -14.281 7.689 1.00 43.44 O ATOM 0 H GLU A 59 18.597 -15.745 3.240 1.00 13.42 H new ATOM 0 HA GLU A 59 19.587 -15.976 5.943 1.00 61.32 H new ATOM 0 HB2 GLU A 59 21.099 -15.444 4.105 1.00 73.33 H new ATOM 0 HB3 GLU A 59 20.126 -14.063 3.641 1.00 73.33 H new ATOM 0 HG2 GLU A 59 22.212 -13.483 4.907 1.00 34.51 H new ATOM 0 HG3 GLU A 59 20.740 -12.840 5.607 1.00 34.51 H new ATOM 935 N VAL A 60 17.904 -13.261 5.053 1.00 14.14 N ATOM 936 CA VAL A 60 17.089 -12.169 5.572 1.00 13.22 C ATOM 937 C VAL A 60 15.966 -12.694 6.459 1.00 32.44 C ATOM 938 O VAL A 60 15.537 -12.024 7.400 1.00 25.40 O ATOM 939 CB VAL A 60 16.478 -11.333 4.431 1.00 24.05 C ATOM 940 CG1 VAL A 60 17.569 -10.819 3.504 1.00 54.42 C ATOM 941 CG2 VAL A 60 15.454 -12.152 3.661 1.00 52.11 C ATOM 0 H VAL A 60 18.042 -13.241 4.043 1.00 14.14 H new ATOM 0 HA VAL A 60 17.750 -11.535 6.164 1.00 13.22 H new ATOM 0 HB VAL A 60 15.968 -10.473 4.865 1.00 24.05 H new ATOM 0 HG11 VAL A 60 17.119 -10.231 2.704 1.00 54.42 H new ATOM 0 HG12 VAL A 60 18.262 -10.195 4.068 1.00 54.42 H new ATOM 0 HG13 VAL A 60 18.109 -11.663 3.074 1.00 54.42 H new ATOM 0 HG21 VAL A 60 15.032 -11.546 2.859 1.00 52.11 H new ATOM 0 HG22 VAL A 60 15.937 -13.032 3.236 1.00 52.11 H new ATOM 0 HG23 VAL A 60 14.657 -12.466 4.336 1.00 52.11 H new ATOM 951 N LEU A 61 15.493 -13.898 6.155 1.00 52.34 N ATOM 952 CA LEU A 61 14.419 -14.515 6.925 1.00 72.20 C ATOM 953 C LEU A 61 14.902 -14.902 8.319 1.00 34.12 C ATOM 954 O LEU A 61 14.293 -14.531 9.322 1.00 51.51 O ATOM 955 CB LEU A 61 13.887 -15.750 6.196 1.00 33.31 C ATOM 956 CG LEU A 61 12.557 -15.576 5.462 1.00 12.50 C ATOM 957 CD1 LEU A 61 12.745 -14.733 4.210 1.00 71.42 C ATOM 958 CD2 LEU A 61 11.959 -16.930 5.111 1.00 22.31 C ATOM 0 H LEU A 61 15.837 -14.466 5.381 1.00 52.34 H new ATOM 0 HA LEU A 61 13.614 -13.787 7.028 1.00 72.20 H new ATOM 0 HB2 LEU A 61 14.638 -16.073 5.474 1.00 33.31 H new ATOM 0 HB3 LEU A 61 13.776 -16.556 6.922 1.00 33.31 H new ATOM 0 HG LEU A 61 11.864 -15.057 6.124 1.00 12.50 H new ATOM 0 HD11 LEU A 61 11.788 -14.620 3.701 1.00 71.42 H new ATOM 0 HD12 LEU A 61 13.127 -13.750 4.487 1.00 71.42 H new ATOM 0 HD13 LEU A 61 13.455 -15.224 3.544 1.00 71.42 H new ATOM 0 HD21 LEU A 61 11.013 -16.786 4.589 1.00 22.31 H new ATOM 0 HD22 LEU A 61 12.649 -17.477 4.468 1.00 22.31 H new ATOM 0 HD23 LEU A 61 11.786 -17.499 6.024 1.00 22.31 H new ATOM 970 N GLU A 62 16.000 -15.649 8.374 1.00 42.35 N ATOM 971 CA GLU A 62 16.565 -16.084 9.645 1.00 31.14 C ATOM 972 C GLU A 62 17.114 -14.897 10.432 1.00 62.24 C ATOM 973 O GLU A 62 17.111 -14.900 11.663 1.00 40.14 O ATOM 974 CB GLU A 62 17.674 -17.112 9.411 1.00 10.12 C ATOM 975 CG GLU A 62 18.844 -16.572 8.607 1.00 43.24 C ATOM 976 CD GLU A 62 20.030 -17.517 8.596 1.00 42.34 C ATOM 977 OE1 GLU A 62 20.818 -17.490 9.564 1.00 21.03 O ATOM 978 OE2 GLU A 62 20.171 -18.282 7.619 1.00 33.12 O ATOM 0 H GLU A 62 16.516 -15.965 7.553 1.00 42.35 H new ATOM 0 HA GLU A 62 15.768 -16.546 10.228 1.00 31.14 H new ATOM 0 HB2 GLU A 62 18.039 -17.466 10.375 1.00 10.12 H new ATOM 0 HB3 GLU A 62 17.255 -17.974 8.893 1.00 10.12 H new ATOM 0 HG2 GLU A 62 18.522 -16.388 7.582 1.00 43.24 H new ATOM 0 HG3 GLU A 62 19.153 -15.612 9.021 1.00 43.24 H new ATOM 985 N TRP A 63 17.585 -13.886 9.712 1.00 41.44 N ATOM 986 CA TRP A 63 18.139 -12.692 10.341 1.00 15.02 C ATOM 987 C TRP A 63 17.035 -11.844 10.964 1.00 42.32 C ATOM 988 O TRP A 63 17.117 -11.462 12.131 1.00 72.40 O ATOM 989 CB TRP A 63 18.918 -11.865 9.317 1.00 23.35 C ATOM 990 CG TRP A 63 19.620 -10.684 9.918 1.00 74.53 C ATOM 991 CD1 TRP A 63 20.512 -10.700 10.952 1.00 54.43 C ATOM 992 CD2 TRP A 63 19.485 -9.315 9.521 1.00 23.41 C ATOM 993 NE1 TRP A 63 20.940 -9.422 11.222 1.00 72.21 N ATOM 994 CE2 TRP A 63 20.326 -8.555 10.358 1.00 53.04 C ATOM 995 CE3 TRP A 63 18.739 -8.658 8.540 1.00 53.03 C ATOM 996 CZ2 TRP A 63 20.437 -7.172 10.241 1.00 2.04 C ATOM 997 CZ3 TRP A 63 18.850 -7.285 8.426 1.00 62.31 C ATOM 998 CH2 TRP A 63 19.695 -6.554 9.272 1.00 33.40 C ATOM 0 H TRP A 63 17.595 -13.869 8.692 1.00 41.44 H new ATOM 0 HA TRP A 63 18.818 -13.010 11.132 1.00 15.02 H new ATOM 0 HB2 TRP A 63 19.652 -12.504 8.827 1.00 23.35 H new ATOM 0 HB3 TRP A 63 18.232 -11.517 8.544 1.00 23.35 H new ATOM 0 HD1 TRP A 63 20.834 -11.586 11.480 1.00 54.43 H new ATOM 0 HE1 TRP A 63 21.607 -9.162 11.948 1.00 72.21 H new ATOM 0 HE3 TRP A 63 18.087 -9.213 7.882 1.00 53.03 H new ATOM 0 HZ2 TRP A 63 21.087 -6.607 10.893 1.00 2.04 H new ATOM 0 HZ3 TRP A 63 18.276 -6.767 7.672 1.00 62.31 H new ATOM 0 HH2 TRP A 63 19.762 -5.482 9.157 1.00 33.40 H new ATOM 1009 N ALA A 64 16.004 -11.552 10.178 1.00 42.23 N ATOM 1010 CA ALA A 64 14.884 -10.750 10.654 1.00 75.34 C ATOM 1011 C ALA A 64 14.267 -11.359 11.908 1.00 31.14 C ATOM 1012 O ALA A 64 13.746 -10.644 12.764 1.00 72.43 O ATOM 1013 CB ALA A 64 13.833 -10.610 9.562 1.00 63.54 C ATOM 0 H ALA A 64 15.921 -11.859 9.209 1.00 42.23 H new ATOM 0 HA ALA A 64 15.261 -9.760 10.910 1.00 75.34 H new ATOM 0 HB1 ALA A 64 13.002 -10.009 9.931 1.00 63.54 H new ATOM 0 HB2 ALA A 64 14.275 -10.123 8.692 1.00 63.54 H new ATOM 0 HB3 ALA A 64 13.468 -11.598 9.279 1.00 63.54 H new ATOM 1019 N GLU A 65 14.330 -12.683 12.011 1.00 74.15 N ATOM 1020 CA GLU A 65 13.775 -13.387 13.161 1.00 3.10 C ATOM 1021 C GLU A 65 14.691 -13.252 14.374 1.00 22.51 C ATOM 1022 O GLU A 65 14.257 -13.413 15.515 1.00 15.41 O ATOM 1023 CB GLU A 65 13.564 -14.866 12.829 1.00 10.41 C ATOM 1024 CG GLU A 65 12.384 -15.120 11.906 1.00 42.42 C ATOM 1025 CD GLU A 65 11.523 -16.280 12.365 1.00 24.41 C ATOM 1026 OE1 GLU A 65 10.978 -16.206 13.486 1.00 33.31 O ATOM 1027 OE2 GLU A 65 11.396 -17.262 11.604 1.00 34.35 O ATOM 0 H GLU A 65 14.760 -13.289 11.312 1.00 74.15 H new ATOM 0 HA GLU A 65 12.812 -12.936 13.402 1.00 3.10 H new ATOM 0 HB2 GLU A 65 14.469 -15.258 12.365 1.00 10.41 H new ATOM 0 HB3 GLU A 65 13.415 -15.420 13.756 1.00 10.41 H new ATOM 0 HG2 GLU A 65 11.773 -14.219 11.848 1.00 42.42 H new ATOM 0 HG3 GLU A 65 12.751 -15.321 10.900 1.00 42.42 H new ATOM 1034 N HIS A 66 15.962 -12.958 14.119 1.00 41.10 N ATOM 1035 CA HIS A 66 16.940 -12.802 15.189 1.00 4.35 C ATOM 1036 C HIS A 66 16.516 -11.701 16.157 1.00 42.21 C ATOM 1037 O HIS A 66 16.407 -11.928 17.363 1.00 52.33 O ATOM 1038 CB HIS A 66 18.318 -12.482 14.608 1.00 72.44 C ATOM 1039 CG HIS A 66 19.449 -13.089 15.379 1.00 62.20 C ATOM 1040 ND1 HIS A 66 19.836 -12.642 16.625 1.00 73.21 N ATOM 1041 CD2 HIS A 66 20.278 -14.115 15.075 1.00 21.22 C ATOM 1042 CE1 HIS A 66 20.855 -13.366 17.053 1.00 15.13 C ATOM 1043 NE2 HIS A 66 21.142 -14.267 16.132 1.00 62.15 N ATOM 0 H HIS A 66 16.338 -12.823 13.181 1.00 41.10 H new ATOM 0 HA HIS A 66 16.994 -13.743 15.737 1.00 4.35 H new ATOM 0 HB2 HIS A 66 18.360 -12.836 13.578 1.00 72.44 H new ATOM 0 HB3 HIS A 66 18.448 -11.400 14.579 1.00 72.44 H new ATOM 0 HD2 HIS A 66 20.263 -14.704 14.170 1.00 21.22 H new ATOM 0 HE1 HIS A 66 21.366 -13.242 17.996 1.00 15.13 H new ATOM 0 HE2 HIS A 66 21.885 -14.963 16.195 1.00 62.15 H new ATOM 1051 N LEU A 67 16.279 -10.508 15.621 1.00 23.54 N ATOM 1052 CA LEU A 67 15.868 -9.371 16.437 1.00 34.43 C ATOM 1053 C LEU A 67 14.446 -9.561 16.958 1.00 44.00 C ATOM 1054 O LEU A 67 14.153 -9.258 18.114 1.00 31.41 O ATOM 1055 CB LEU A 67 15.957 -8.077 15.626 1.00 25.55 C ATOM 1056 CG LEU A 67 14.981 -7.949 14.457 1.00 13.00 C ATOM 1057 CD1 LEU A 67 13.698 -7.266 14.905 1.00 1.24 C ATOM 1058 CD2 LEU A 67 15.622 -7.183 13.309 1.00 75.54 C ATOM 0 H LEU A 67 16.364 -10.304 14.625 1.00 23.54 H new ATOM 0 HA LEU A 67 16.543 -9.305 17.290 1.00 34.43 H new ATOM 0 HB2 LEU A 67 15.796 -7.237 16.301 1.00 25.55 H new ATOM 0 HB3 LEU A 67 16.971 -7.984 15.238 1.00 25.55 H new ATOM 0 HG LEU A 67 14.732 -8.950 14.105 1.00 13.00 H new ATOM 0 HD11 LEU A 67 13.015 -7.184 14.059 1.00 1.24 H new ATOM 0 HD12 LEU A 67 13.229 -7.854 15.694 1.00 1.24 H new ATOM 0 HD13 LEU A 67 13.929 -6.270 15.283 1.00 1.24 H new ATOM 0 HD21 LEU A 67 14.913 -7.101 12.485 1.00 75.54 H new ATOM 0 HD22 LEU A 67 15.901 -6.185 13.648 1.00 75.54 H new ATOM 0 HD23 LEU A 67 16.512 -7.713 12.970 1.00 75.54 H new ATOM 1070 N ALA A 68 13.569 -10.066 16.097 1.00 12.31 N ATOM 1071 CA ALA A 68 12.180 -10.300 16.471 1.00 14.13 C ATOM 1072 C ALA A 68 12.079 -11.328 17.593 1.00 60.54 C ATOM 1073 O ALA A 68 11.124 -11.322 18.369 1.00 43.22 O ATOM 1074 CB ALA A 68 11.377 -10.755 15.262 1.00 54.24 C ATOM 0 H ALA A 68 13.796 -10.321 15.136 1.00 12.31 H new ATOM 0 HA ALA A 68 11.765 -9.361 16.836 1.00 14.13 H new ATOM 0 HB1 ALA A 68 10.342 -10.926 15.556 1.00 54.24 H new ATOM 0 HB2 ALA A 68 11.413 -9.985 14.491 1.00 54.24 H new ATOM 0 HB3 ALA A 68 11.801 -11.680 14.871 1.00 54.24 H new ATOM 1080 N GLU A 69 13.070 -12.211 17.670 1.00 30.24 N ATOM 1081 CA GLU A 69 13.091 -13.247 18.697 1.00 53.14 C ATOM 1082 C GLU A 69 13.581 -12.684 20.028 1.00 62.34 C ATOM 1083 O GLU A 69 13.293 -13.235 21.090 1.00 14.22 O ATOM 1084 CB GLU A 69 13.985 -14.410 18.261 1.00 10.43 C ATOM 1085 CG GLU A 69 13.257 -15.465 17.446 1.00 61.20 C ATOM 1086 CD GLU A 69 13.022 -16.745 18.225 1.00 2.20 C ATOM 1087 OE1 GLU A 69 13.945 -17.177 18.947 1.00 42.11 O ATOM 1088 OE2 GLU A 69 11.916 -17.314 18.113 1.00 45.11 O ATOM 0 H GLU A 69 13.868 -12.230 17.035 1.00 30.24 H new ATOM 0 HA GLU A 69 12.073 -13.612 18.830 1.00 53.14 H new ATOM 0 HB2 GLU A 69 14.815 -14.018 17.674 1.00 10.43 H new ATOM 0 HB3 GLU A 69 14.414 -14.879 19.146 1.00 10.43 H new ATOM 0 HG2 GLU A 69 12.299 -15.065 17.114 1.00 61.20 H new ATOM 0 HG3 GLU A 69 13.836 -15.690 16.550 1.00 61.20 H new ATOM 1095 N TRP A 70 14.324 -11.586 19.960 1.00 1.45 N ATOM 1096 CA TRP A 70 14.856 -10.948 21.160 1.00 73.21 C ATOM 1097 C TRP A 70 13.780 -10.825 22.233 1.00 12.31 C ATOM 1098 O TRP A 70 13.981 -11.235 23.376 1.00 21.25 O ATOM 1099 CB TRP A 70 15.417 -9.566 20.822 1.00 62.23 C ATOM 1100 CG TRP A 70 16.227 -8.966 21.931 1.00 62.50 C ATOM 1101 CD1 TRP A 70 17.553 -9.175 22.183 1.00 21.31 C ATOM 1102 CD2 TRP A 70 15.763 -8.061 22.939 1.00 72.54 C ATOM 1103 NE1 TRP A 70 17.941 -8.455 23.287 1.00 51.41 N ATOM 1104 CE2 TRP A 70 16.861 -7.762 23.768 1.00 24.31 C ATOM 1105 CE3 TRP A 70 14.527 -7.473 23.220 1.00 71.24 C ATOM 1106 CZ2 TRP A 70 16.758 -6.902 24.858 1.00 21.42 C ATOM 1107 CZ3 TRP A 70 14.426 -6.620 24.302 1.00 30.21 C ATOM 1108 CH2 TRP A 70 15.536 -6.341 25.110 1.00 0.43 C ATOM 0 H TRP A 70 14.572 -11.119 19.088 1.00 1.45 H new ATOM 0 HA TRP A 70 15.660 -11.573 21.548 1.00 73.21 H new ATOM 0 HB2 TRP A 70 16.037 -9.642 19.929 1.00 62.23 H new ATOM 0 HB3 TRP A 70 14.592 -8.896 20.581 1.00 62.23 H new ATOM 0 HD1 TRP A 70 18.201 -9.813 21.600 1.00 21.31 H new ATOM 0 HE1 TRP A 70 18.880 -8.439 23.684 1.00 51.41 H new ATOM 0 HE3 TRP A 70 13.666 -7.682 22.602 1.00 71.24 H new ATOM 0 HZ2 TRP A 70 17.612 -6.685 25.482 1.00 21.42 H new ATOM 0 HZ3 TRP A 70 13.475 -6.160 24.529 1.00 30.21 H new ATOM 0 HH2 TRP A 70 15.425 -5.670 25.949 1.00 0.43 H new ATOM 1119 N ILE A 71 12.638 -10.258 21.858 1.00 43.41 N ATOM 1120 CA ILE A 71 11.531 -10.082 22.789 1.00 32.12 C ATOM 1121 C ILE A 71 11.201 -11.388 23.503 1.00 34.41 C ATOM 1122 O ILE A 71 10.889 -11.396 24.695 1.00 71.03 O ATOM 1123 CB ILE A 71 10.268 -9.569 22.072 1.00 3.41 C ATOM 1124 CG1 ILE A 71 9.993 -10.401 20.818 1.00 45.20 C ATOM 1125 CG2 ILE A 71 10.423 -8.098 21.715 1.00 2.20 C ATOM 1126 CD1 ILE A 71 8.753 -11.261 20.923 1.00 3.50 C ATOM 0 H ILE A 71 12.456 -9.913 20.916 1.00 43.41 H new ATOM 0 HA ILE A 71 11.850 -9.340 23.521 1.00 32.12 H new ATOM 0 HB ILE A 71 9.418 -9.672 22.746 1.00 3.41 H new ATOM 0 HG12 ILE A 71 9.890 -9.732 19.963 1.00 45.20 H new ATOM 0 HG13 ILE A 71 10.853 -11.041 20.620 1.00 45.20 H new ATOM 0 HG21 ILE A 71 9.523 -7.750 21.209 1.00 2.20 H new ATOM 0 HG22 ILE A 71 10.576 -7.517 22.624 1.00 2.20 H new ATOM 0 HG23 ILE A 71 11.282 -7.972 21.055 1.00 2.20 H new ATOM 0 HD11 ILE A 71 8.620 -11.823 19.998 1.00 3.50 H new ATOM 0 HD12 ILE A 71 8.861 -11.955 21.757 1.00 3.50 H new ATOM 0 HD13 ILE A 71 7.883 -10.626 21.090 1.00 3.50 H new ATOM 1138 N LEU A 72 11.272 -12.492 22.768 1.00 64.42 N ATOM 1139 CA LEU A 72 10.983 -13.807 23.331 1.00 40.24 C ATOM 1140 C LEU A 72 12.073 -14.232 24.309 1.00 61.30 C ATOM 1141 O LEU A 72 11.786 -14.641 25.433 1.00 35.23 O ATOM 1142 CB LEU A 72 10.851 -14.844 22.214 1.00 40.21 C ATOM 1143 CG LEU A 72 10.015 -14.425 21.004 1.00 43.40 C ATOM 1144 CD1 LEU A 72 10.325 -15.311 19.808 1.00 62.30 C ATOM 1145 CD2 LEU A 72 8.531 -14.475 21.337 1.00 24.15 C ATOM 0 H LEU A 72 11.527 -12.503 21.781 1.00 64.42 H new ATOM 0 HA LEU A 72 10.039 -13.744 23.873 1.00 40.24 H new ATOM 0 HB2 LEU A 72 11.851 -15.104 21.867 1.00 40.21 H new ATOM 0 HB3 LEU A 72 10.415 -15.749 22.636 1.00 40.21 H new ATOM 0 HG LEU A 72 10.274 -13.398 20.746 1.00 43.40 H new ATOM 0 HD11 LEU A 72 9.721 -14.998 18.957 1.00 62.30 H new ATOM 0 HD12 LEU A 72 11.382 -15.224 19.555 1.00 62.30 H new ATOM 0 HD13 LEU A 72 10.095 -16.348 20.054 1.00 62.30 H new ATOM 0 HD21 LEU A 72 7.952 -14.174 20.464 1.00 24.15 H new ATOM 0 HD22 LEU A 72 8.256 -15.491 21.622 1.00 24.15 H new ATOM 0 HD23 LEU A 72 8.321 -13.797 22.164 1.00 24.15 H new ATOM 1157 N GLU A 73 13.325 -14.131 23.873 1.00 11.21 N ATOM 1158 CA GLU A 73 14.458 -14.504 24.712 1.00 72.12 C ATOM 1159 C GLU A 73 14.462 -13.701 26.009 1.00 3.32 C ATOM 1160 O GLU A 73 14.939 -14.171 27.042 1.00 22.44 O ATOM 1161 CB GLU A 73 15.772 -14.286 23.959 1.00 10.52 C ATOM 1162 CG GLU A 73 16.996 -14.771 24.718 1.00 73.55 C ATOM 1163 CD GLU A 73 17.119 -16.283 24.719 1.00 41.21 C ATOM 1164 OE1 GLU A 73 16.564 -16.923 25.636 1.00 62.21 O ATOM 1165 OE2 GLU A 73 17.771 -16.825 23.802 1.00 50.02 O ATOM 0 H GLU A 73 13.580 -13.794 22.945 1.00 11.21 H new ATOM 0 HA GLU A 73 14.361 -15.561 24.960 1.00 72.12 H new ATOM 0 HB2 GLU A 73 15.721 -14.802 23.000 1.00 10.52 H new ATOM 0 HB3 GLU A 73 15.886 -13.224 23.744 1.00 10.52 H new ATOM 0 HG2 GLU A 73 17.891 -14.337 24.272 1.00 73.55 H new ATOM 0 HG3 GLU A 73 16.947 -14.413 25.746 1.00 73.55 H new ATOM 1172 N HIS A 74 13.928 -12.485 25.947 1.00 2.04 N ATOM 1173 CA HIS A 74 13.870 -11.615 27.117 1.00 62.12 C ATOM 1174 C HIS A 74 12.647 -11.934 27.971 1.00 53.22 C ATOM 1175 O HIS A 74 12.708 -11.890 29.200 1.00 74.10 O ATOM 1176 CB HIS A 74 13.838 -10.148 26.686 1.00 23.35 C ATOM 1177 CG HIS A 74 13.833 -9.187 27.835 1.00 25.11 C ATOM 1178 ND1 HIS A 74 12.895 -8.187 27.975 1.00 11.33 N ATOM 1179 CD2 HIS A 74 14.659 -9.079 28.902 1.00 2.51 C ATOM 1180 CE1 HIS A 74 13.144 -7.503 29.078 1.00 65.31 C ATOM 1181 NE2 HIS A 74 14.210 -8.025 29.659 1.00 12.41 N ATOM 0 H HIS A 74 13.530 -12.080 25.100 1.00 2.04 H new ATOM 0 HA HIS A 74 14.764 -11.791 27.715 1.00 62.12 H new ATOM 0 HB2 HIS A 74 14.704 -9.944 26.056 1.00 23.35 H new ATOM 0 HB3 HIS A 74 12.952 -9.976 26.075 1.00 23.35 H new ATOM 0 HD2 HIS A 74 15.512 -9.705 29.118 1.00 2.51 H new ATOM 0 HE1 HIS A 74 12.574 -6.661 29.442 1.00 65.31 H new ATOM 0 HE2 HIS A 74 14.631 -7.698 30.529 1.00 12.41 H new