USER MOD reduce.3.24.130724 H: found=0, std=0, add=692, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 693 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 43 TYR OH : rot 26:sc= 0.978 USER MOD Set 1.2: A 65 GLN :FLIP amide:sc= -0.321 F(o=-0.46,f=0.66) USER MOD Set 2.1: A 10 TYR OH : rot 30:sc= 0.358 USER MOD Set 2.2: A 45 HIS :FLIP no HD1:sc= -0.106 F(o=-0.8,f=0.25) USER MOD Single : A 8 THR OG1 : rot 173:sc= -0.26 USER MOD Single : A 14 GLN : amide:sc= 0 K(o=0,f=-1.9!) USER MOD Single : A 16 HIS :FLIP no HD1:sc= 0 F(o=-0.56,f=0) USER MOD Single : A 18 LYS NZ :NH3+ 161:sc= 1.26 (180deg=1.21) USER MOD Single : A 19 HIS :FLIP no HE2:sc= 0.279 F(o=-0.96,f=0.28) USER MOD Single : A 21 ASN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot -3:sc= 0.173 USER MOD Single : A 39 TYR OH : rot 180:sc= -0.0304 USER MOD Single : A 42 THR OG1 : rot 152:sc= -0.421 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 159:sc= -0.883! (180deg=-1.47!) USER MOD Single : A 50 TYR OH : rot 20:sc= 0.515 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 75:sc= 0.9 USER MOD Single : A 63 TYR OH : rot -157:sc= -1.98! USER MOD Single : A 75 THR OG1 : rot 180:sc= -0.417 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 LYS NZ :NH3+ -143:sc= 0.216 (180deg=-0.6) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 83 GLN :FLIP amide:sc= -0.103 F(o=-1.1,f=-0.1) USER MOD Single : A 86 LYS NZ :NH3+ -146:sc= 1.18 (180deg=-0.0896) USER MOD Single : A 88 LYS NZ :NH3+ 178:sc= 0.563 (180deg=0.489) USER MOD ----------------------------------------------------------------- ATOM 18 N ASP A 2 1.170 0.202 -4.906 1.00 41.34 N ATOM 19 CA ASP A 2 0.874 -0.863 -5.871 1.00 40.03 C ATOM 20 C ASP A 2 1.993 -0.989 -6.921 1.00 5.02 C ATOM 21 O ASP A 2 2.808 -0.079 -7.080 1.00 43.25 O ATOM 22 CB ASP A 2 -0.456 -0.563 -6.575 1.00 33.15 C ATOM 23 CG ASP A 2 -1.605 -0.401 -5.600 1.00 65.21 C ATOM 24 OD1 ASP A 2 -2.227 -1.417 -5.233 1.00 52.42 O ATOM 25 OD2 ASP A 2 -1.893 0.743 -5.195 1.00 65.54 O ATOM 0 HA ASP A 2 0.805 -1.806 -5.328 1.00 40.03 H new ATOM 0 HB2 ASP A 2 -0.354 0.348 -7.165 1.00 33.15 H new ATOM 0 HB3 ASP A 2 -0.685 -1.370 -7.271 1.00 33.15 H new ATOM 30 N PRO A 3 2.052 -2.120 -7.662 1.00 53.54 N ATOM 31 CA PRO A 3 2.960 -2.252 -8.819 1.00 72.20 C ATOM 32 C PRO A 3 2.594 -1.262 -9.938 1.00 35.12 C ATOM 33 O PRO A 3 3.369 -1.030 -10.866 1.00 10.21 O ATOM 34 CB PRO A 3 2.750 -3.705 -9.283 1.00 31.13 C ATOM 35 CG PRO A 3 1.412 -4.091 -8.739 1.00 34.35 C ATOM 36 CD PRO A 3 1.269 -3.352 -7.434 1.00 51.45 C ATOM 0 HA PRO A 3 3.996 -2.031 -8.562 1.00 72.20 H new ATOM 0 HB2 PRO A 3 2.771 -3.780 -10.370 1.00 31.13 H new ATOM 0 HB3 PRO A 3 3.535 -4.359 -8.903 1.00 31.13 H new ATOM 0 HG2 PRO A 3 0.615 -3.819 -9.431 1.00 34.35 H new ATOM 0 HG3 PRO A 3 1.348 -5.168 -8.587 1.00 34.35 H new ATOM 0 HD2 PRO A 3 0.226 -3.131 -7.208 1.00 51.45 H new ATOM 0 HD3 PRO A 3 1.661 -3.930 -6.598 1.00 51.45 H new ATOM 44 N GLU A 4 1.397 -0.685 -9.825 1.00 75.44 N ATOM 45 CA GLU A 4 0.892 0.293 -10.790 1.00 22.24 C ATOM 46 C GLU A 4 1.646 1.626 -10.693 1.00 51.54 C ATOM 47 O GLU A 4 1.769 2.353 -11.682 1.00 10.23 O ATOM 48 CB GLU A 4 -0.608 0.516 -10.555 1.00 31.14 C ATOM 49 CG GLU A 4 -1.429 -0.773 -10.576 1.00 75.40 C ATOM 50 CD GLU A 4 -1.383 -1.480 -11.922 1.00 24.32 C ATOM 51 OE1 GLU A 4 -0.407 -2.209 -12.190 1.00 52.14 O ATOM 52 OE2 GLU A 4 -2.327 -1.312 -12.721 1.00 2.14 O ATOM 0 H GLU A 4 0.750 -0.882 -9.062 1.00 75.44 H new ATOM 0 HA GLU A 4 1.054 -0.103 -11.793 1.00 22.24 H new ATOM 0 HB2 GLU A 4 -0.747 1.010 -9.593 1.00 31.14 H new ATOM 0 HB3 GLU A 4 -0.990 1.193 -11.319 1.00 31.14 H new ATOM 0 HG2 GLU A 4 -1.058 -1.447 -9.804 1.00 75.40 H new ATOM 0 HG3 GLU A 4 -2.465 -0.543 -10.327 1.00 75.40 H new ATOM 59 N ASP A 5 2.138 1.947 -9.495 1.00 21.24 N ATOM 60 CA ASP A 5 2.925 3.163 -9.283 1.00 50.12 C ATOM 61 C ASP A 5 4.203 3.155 -10.143 1.00 4.21 C ATOM 62 O ASP A 5 5.021 2.238 -10.038 1.00 14.25 O ATOM 63 CB ASP A 5 3.295 3.304 -7.801 1.00 31.21 C ATOM 64 CG ASP A 5 2.076 3.502 -6.919 1.00 33.30 C ATOM 65 OD1 ASP A 5 1.433 2.501 -6.547 1.00 25.10 O ATOM 66 OD2 ASP A 5 1.748 4.663 -6.610 1.00 55.14 O ATOM 0 H ASP A 5 2.005 1.382 -8.657 1.00 21.24 H new ATOM 0 HA ASP A 5 2.315 4.014 -9.584 1.00 50.12 H new ATOM 0 HB2 ASP A 5 3.834 2.414 -7.477 1.00 31.21 H new ATOM 0 HB3 ASP A 5 3.972 4.149 -7.677 1.00 31.21 H new ATOM 71 N PRO A 6 4.387 4.172 -11.012 1.00 2.31 N ATOM 72 CA PRO A 6 5.581 4.291 -11.868 1.00 73.42 C ATOM 73 C PRO A 6 6.889 4.039 -11.106 1.00 44.11 C ATOM 74 O PRO A 6 7.739 3.269 -11.549 1.00 73.22 O ATOM 75 CB PRO A 6 5.521 5.740 -12.357 1.00 62.32 C ATOM 76 CG PRO A 6 4.076 6.106 -12.319 1.00 75.11 C ATOM 77 CD PRO A 6 3.439 5.281 -11.230 1.00 2.10 C ATOM 0 HA PRO A 6 5.578 3.550 -12.668 1.00 73.42 H new ATOM 0 HB2 PRO A 6 6.110 6.396 -11.717 1.00 62.32 H new ATOM 0 HB3 PRO A 6 5.924 5.832 -13.365 1.00 62.32 H new ATOM 0 HG2 PRO A 6 3.953 7.170 -12.118 1.00 75.11 H new ATOM 0 HG3 PRO A 6 3.603 5.907 -13.280 1.00 75.11 H new ATOM 0 HD2 PRO A 6 3.294 5.865 -10.321 1.00 2.10 H new ATOM 0 HD3 PRO A 6 2.458 4.913 -11.532 1.00 2.10 H new ATOM 85 N PHE A 7 7.033 4.689 -9.952 1.00 64.42 N ATOM 86 CA PHE A 7 8.211 4.513 -9.095 1.00 63.30 C ATOM 87 C PHE A 7 8.398 3.038 -8.683 1.00 1.35 C ATOM 88 O PHE A 7 9.526 2.558 -8.533 1.00 0.33 O ATOM 89 CB PHE A 7 8.074 5.407 -7.850 1.00 10.42 C ATOM 90 CG PHE A 7 9.240 5.329 -6.890 1.00 71.00 C ATOM 91 CD1 PHE A 7 10.501 5.770 -7.269 1.00 21.23 C ATOM 92 CD2 PHE A 7 9.074 4.810 -5.611 1.00 23.12 C ATOM 93 CE1 PHE A 7 11.568 5.700 -6.392 1.00 1.04 C ATOM 94 CE2 PHE A 7 10.138 4.740 -4.732 1.00 45.45 C ATOM 95 CZ PHE A 7 11.387 5.181 -5.124 1.00 3.13 C ATOM 0 H PHE A 7 6.345 5.347 -9.585 1.00 64.42 H new ATOM 0 HA PHE A 7 9.096 4.806 -9.660 1.00 63.30 H new ATOM 0 HB2 PHE A 7 7.954 6.441 -8.172 1.00 10.42 H new ATOM 0 HB3 PHE A 7 7.163 5.131 -7.319 1.00 10.42 H new ATOM 0 HD1 PHE A 7 10.650 6.172 -8.260 1.00 21.23 H new ATOM 0 HD2 PHE A 7 8.102 4.457 -5.301 1.00 23.12 H new ATOM 0 HE1 PHE A 7 12.543 6.051 -6.698 1.00 1.04 H new ATOM 0 HE2 PHE A 7 9.993 4.341 -3.739 1.00 45.45 H new ATOM 0 HZ PHE A 7 12.221 5.120 -4.440 1.00 3.13 H new ATOM 105 N THR A 8 7.292 2.315 -8.527 1.00 52.31 N ATOM 106 CA THR A 8 7.349 0.909 -8.092 1.00 51.23 C ATOM 107 C THR A 8 7.717 -0.029 -9.253 1.00 70.52 C ATOM 108 O THR A 8 8.706 -0.758 -9.181 1.00 12.40 O ATOM 109 CB THR A 8 6.008 0.441 -7.473 1.00 12.01 C ATOM 110 OG1 THR A 8 5.644 1.290 -6.371 1.00 43.24 O ATOM 111 CG2 THR A 8 6.096 -1.008 -6.992 1.00 62.42 C ATOM 0 H THR A 8 6.350 2.669 -8.692 1.00 52.31 H new ATOM 0 HA THR A 8 8.127 0.859 -7.330 1.00 51.23 H new ATOM 0 HB THR A 8 5.245 0.504 -8.249 1.00 12.01 H new ATOM 0 HG1 THR A 8 4.744 1.056 -6.061 1.00 43.24 H new ATOM 0 HG21 THR A 8 5.140 -1.308 -6.563 1.00 62.42 H new ATOM 0 HG22 THR A 8 6.335 -1.657 -7.834 1.00 62.42 H new ATOM 0 HG23 THR A 8 6.876 -1.094 -6.236 1.00 62.42 H new ATOM 119 N ARG A 9 6.932 0.010 -10.335 1.00 41.11 N ATOM 120 CA ARG A 9 7.208 -0.817 -11.526 1.00 0.42 C ATOM 121 C ARG A 9 8.598 -0.506 -12.117 1.00 74.43 C ATOM 122 O ARG A 9 9.229 -1.364 -12.739 1.00 43.33 O ATOM 123 CB ARG A 9 6.088 -0.654 -12.580 1.00 44.33 C ATOM 124 CG ARG A 9 5.615 0.785 -12.791 1.00 23.23 C ATOM 125 CD ARG A 9 4.353 0.857 -13.658 1.00 44.21 C ATOM 126 NE ARG A 9 4.629 0.634 -15.079 1.00 54.41 N ATOM 127 CZ ARG A 9 4.380 -0.479 -15.718 1.00 12.45 C ATOM 128 NH1 ARG A 9 3.794 -1.470 -15.129 1.00 35.10 N ATOM 129 NH2 ARG A 9 4.678 -0.581 -16.967 1.00 30.44 N ATOM 0 H ARG A 9 6.104 0.600 -10.416 1.00 41.11 H new ATOM 0 HA ARG A 9 7.220 -1.862 -11.215 1.00 0.42 H new ATOM 0 HB2 ARG A 9 6.443 -1.049 -13.532 1.00 44.33 H new ATOM 0 HB3 ARG A 9 5.235 -1.263 -12.281 1.00 44.33 H new ATOM 0 HG2 ARG A 9 5.416 1.246 -11.824 1.00 23.23 H new ATOM 0 HG3 ARG A 9 6.411 1.362 -13.262 1.00 23.23 H new ATOM 0 HD2 ARG A 9 3.636 0.113 -13.311 1.00 44.21 H new ATOM 0 HD3 ARG A 9 3.886 1.834 -13.532 1.00 44.21 H new ATOM 0 HE ARG A 9 5.045 1.401 -15.607 1.00 54.41 H new ATOM 0 HH11 ARG A 9 3.518 -1.391 -14.150 1.00 35.10 H new ATOM 0 HH12 ARG A 9 3.608 -2.331 -15.643 1.00 35.10 H new ATOM 0 HH21 ARG A 9 5.107 0.205 -17.455 1.00 30.44 H new ATOM 0 HH22 ARG A 9 4.485 -1.448 -17.468 1.00 30.44 H new ATOM 143 N TYR A 10 9.070 0.720 -11.902 1.00 32.23 N ATOM 144 CA TYR A 10 10.441 1.106 -12.262 1.00 42.51 C ATOM 145 C TYR A 10 11.472 0.277 -11.472 1.00 73.53 C ATOM 146 O TYR A 10 12.400 -0.298 -12.045 1.00 31.13 O ATOM 147 CB TYR A 10 10.641 2.602 -11.985 1.00 22.14 C ATOM 148 CG TYR A 10 11.991 3.147 -12.415 1.00 53.44 C ATOM 149 CD1 TYR A 10 12.266 3.383 -13.758 1.00 64.30 C ATOM 150 CD2 TYR A 10 12.981 3.444 -11.482 1.00 2.22 C ATOM 151 CE1 TYR A 10 13.482 3.892 -14.157 1.00 42.21 C ATOM 152 CE2 TYR A 10 14.203 3.952 -11.877 1.00 41.43 C ATOM 153 CZ TYR A 10 14.445 4.177 -13.216 1.00 52.51 C ATOM 154 OH TYR A 10 15.652 4.695 -13.618 1.00 30.21 O ATOM 0 H TYR A 10 8.523 1.470 -11.478 1.00 32.23 H new ATOM 0 HA TYR A 10 10.592 0.909 -13.323 1.00 42.51 H new ATOM 0 HB2 TYR A 10 9.858 3.161 -12.497 1.00 22.14 H new ATOM 0 HB3 TYR A 10 10.514 2.781 -10.917 1.00 22.14 H new ATOM 0 HD1 TYR A 10 11.513 3.163 -14.501 1.00 64.30 H new ATOM 0 HD2 TYR A 10 12.790 3.274 -10.433 1.00 2.22 H new ATOM 0 HE1 TYR A 10 13.679 4.067 -15.204 1.00 42.21 H new ATOM 0 HE2 TYR A 10 14.964 4.172 -11.143 1.00 41.43 H new ATOM 0 HH TYR A 10 15.525 5.226 -14.432 1.00 30.21 H new ATOM 164 N ALA A 11 11.289 0.212 -10.151 1.00 52.04 N ATOM 165 CA ALA A 11 12.195 -0.542 -9.274 1.00 10.53 C ATOM 166 C ALA A 11 12.276 -2.026 -9.668 1.00 13.43 C ATOM 167 O ALA A 11 13.366 -2.605 -9.724 1.00 10.23 O ATOM 168 CB ALA A 11 11.754 -0.406 -7.824 1.00 34.31 C ATOM 0 H ALA A 11 10.521 0.672 -9.662 1.00 52.04 H new ATOM 0 HA ALA A 11 13.193 -0.118 -9.391 1.00 10.53 H new ATOM 0 HB1 ALA A 11 12.433 -0.969 -7.183 1.00 34.31 H new ATOM 0 HB2 ALA A 11 11.771 0.645 -7.536 1.00 34.31 H new ATOM 0 HB3 ALA A 11 10.742 -0.797 -7.713 1.00 34.31 H new ATOM 174 N LEU A 12 11.120 -2.635 -9.944 1.00 33.30 N ATOM 175 CA LEU A 12 11.063 -4.040 -10.377 1.00 61.44 C ATOM 176 C LEU A 12 11.931 -4.281 -11.623 1.00 71.51 C ATOM 177 O LEU A 12 12.615 -5.305 -11.727 1.00 25.50 O ATOM 178 CB LEU A 12 9.609 -4.470 -10.652 1.00 72.55 C ATOM 179 CG LEU A 12 8.784 -4.880 -9.413 1.00 31.03 C ATOM 180 CD1 LEU A 12 9.406 -6.094 -8.726 1.00 5.42 C ATOM 181 CD2 LEU A 12 8.640 -3.718 -8.430 1.00 24.12 C ATOM 0 H LEU A 12 10.209 -2.180 -9.876 1.00 33.30 H new ATOM 0 HA LEU A 12 11.461 -4.647 -9.564 1.00 61.44 H new ATOM 0 HB2 LEU A 12 9.095 -3.649 -11.152 1.00 72.55 H new ATOM 0 HB3 LEU A 12 9.623 -5.308 -11.349 1.00 72.55 H new ATOM 0 HG LEU A 12 7.785 -5.152 -9.755 1.00 31.03 H new ATOM 0 HD11 LEU A 12 8.808 -6.365 -7.856 1.00 5.42 H new ATOM 0 HD12 LEU A 12 9.434 -6.932 -9.423 1.00 5.42 H new ATOM 0 HD13 LEU A 12 10.420 -5.852 -8.409 1.00 5.42 H new ATOM 0 HD21 LEU A 12 8.054 -4.040 -7.569 1.00 24.12 H new ATOM 0 HD22 LEU A 12 9.628 -3.398 -8.098 1.00 24.12 H new ATOM 0 HD23 LEU A 12 8.136 -2.886 -8.921 1.00 24.12 H new ATOM 193 N ALA A 13 11.902 -3.336 -12.563 1.00 64.00 N ATOM 194 CA ALA A 13 12.745 -3.413 -13.760 1.00 54.44 C ATOM 195 C ALA A 13 14.234 -3.511 -13.389 1.00 14.53 C ATOM 196 O ALA A 13 14.969 -4.343 -13.929 1.00 52.03 O ATOM 197 CB ALA A 13 12.497 -2.207 -14.659 1.00 42.40 C ATOM 0 H ALA A 13 11.306 -2.509 -12.521 1.00 64.00 H new ATOM 0 HA ALA A 13 12.477 -4.319 -14.304 1.00 54.44 H new ATOM 0 HB1 ALA A 13 13.129 -2.277 -15.544 1.00 42.40 H new ATOM 0 HB2 ALA A 13 11.450 -2.188 -14.962 1.00 42.40 H new ATOM 0 HB3 ALA A 13 12.734 -1.293 -14.115 1.00 42.40 H new ATOM 203 N GLN A 14 14.662 -2.668 -12.449 1.00 71.44 N ATOM 204 CA GLN A 14 16.044 -2.686 -11.954 1.00 64.54 C ATOM 205 C GLN A 14 16.400 -4.047 -11.332 1.00 10.52 C ATOM 206 O GLN A 14 17.485 -4.583 -11.566 1.00 13.21 O ATOM 207 CB GLN A 14 16.251 -1.577 -10.916 1.00 25.15 C ATOM 208 CG GLN A 14 16.051 -0.170 -11.466 1.00 72.12 C ATOM 209 CD GLN A 14 16.245 0.901 -10.406 1.00 45.35 C ATOM 210 OE1 GLN A 14 15.301 1.314 -9.741 1.00 31.24 O ATOM 211 NE2 GLN A 14 17.473 1.342 -10.223 1.00 51.03 N ATOM 0 H GLN A 14 14.071 -1.961 -12.012 1.00 71.44 H new ATOM 0 HA GLN A 14 16.702 -2.515 -12.806 1.00 64.54 H new ATOM 0 HB2 GLN A 14 15.560 -1.734 -10.088 1.00 25.15 H new ATOM 0 HB3 GLN A 14 17.259 -1.657 -10.509 1.00 25.15 H new ATOM 0 HG2 GLN A 14 16.752 0.001 -12.283 1.00 72.12 H new ATOM 0 HG3 GLN A 14 15.048 -0.086 -11.884 1.00 72.12 H new ATOM 0 HE21 GLN A 14 18.236 0.978 -10.793 1.00 51.03 H new ATOM 0 HE22 GLN A 14 17.661 2.048 -9.511 1.00 51.03 H new ATOM 220 N GLU A 15 15.480 -4.600 -10.542 1.00 11.15 N ATOM 221 CA GLU A 15 15.691 -5.904 -9.901 1.00 52.54 C ATOM 222 C GLU A 15 15.913 -7.013 -10.946 1.00 60.44 C ATOM 223 O GLU A 15 16.752 -7.895 -10.758 1.00 41.51 O ATOM 224 CB GLU A 15 14.504 -6.257 -8.989 1.00 2.03 C ATOM 225 CG GLU A 15 14.240 -5.234 -7.884 1.00 65.02 C ATOM 226 CD GLU A 15 15.445 -5.007 -6.980 1.00 33.15 C ATOM 227 OE1 GLU A 15 15.734 -5.878 -6.133 1.00 72.31 O ATOM 228 OE2 GLU A 15 16.111 -3.960 -7.120 1.00 43.33 O ATOM 0 H GLU A 15 14.581 -4.168 -10.329 1.00 11.15 H new ATOM 0 HA GLU A 15 16.592 -5.832 -9.291 1.00 52.54 H new ATOM 0 HB2 GLU A 15 13.607 -6.355 -9.600 1.00 2.03 H new ATOM 0 HB3 GLU A 15 14.687 -7.230 -8.533 1.00 2.03 H new ATOM 0 HG2 GLU A 15 13.949 -4.286 -8.337 1.00 65.02 H new ATOM 0 HG3 GLU A 15 13.398 -5.570 -7.279 1.00 65.02 H new ATOM 235 N HIS A 16 15.174 -6.957 -12.057 1.00 63.35 N ATOM 236 CA HIS A 16 15.380 -7.909 -13.156 1.00 72.11 C ATOM 237 C HIS A 16 16.801 -7.787 -13.731 1.00 14.11 C ATOM 238 O HIS A 16 17.429 -8.790 -14.061 1.00 35.54 O ATOM 239 CB HIS A 16 14.338 -7.718 -14.267 1.00 45.00 C ATOM 240 CG HIS A 16 12.952 -8.151 -13.882 1.00 33.21 C ATOM 241 ND1 HIS A 16 11.830 -7.431 -13.655 1.00 62.21 N flip ATOM 242 CD2 HIS A 16 12.590 -9.473 -13.705 1.00 1.21 C flip ATOM 243 CE1 HIS A 16 10.829 -8.318 -13.356 1.00 73.42 C flip ATOM 244 NE2 HIS A 16 11.311 -9.540 -13.392 1.00 43.23 N flip ATOM 0 H HIS A 16 14.436 -6.272 -12.221 1.00 63.35 H new ATOM 0 HA HIS A 16 15.257 -8.911 -12.745 1.00 72.11 H new ATOM 0 HB2 HIS A 16 14.314 -6.666 -14.552 1.00 45.00 H new ATOM 0 HB3 HIS A 16 14.652 -8.279 -15.147 1.00 45.00 H new ATOM 0 HD2 HIS A 16 13.252 -10.320 -13.807 1.00 1.21 H new ATOM 0 HE1 HIS A 16 9.807 -8.055 -13.127 1.00 73.42 H new ATOM 0 HE2 HIS A 16 10.785 -10.395 -13.209 1.00 43.23 H new ATOM 253 N LEU A 17 17.305 -6.557 -13.841 1.00 14.24 N ATOM 254 CA LEU A 17 18.696 -6.331 -14.264 1.00 10.40 C ATOM 255 C LEU A 17 19.680 -6.995 -13.285 1.00 5.31 C ATOM 256 O LEU A 17 20.670 -7.602 -13.697 1.00 53.52 O ATOM 257 CB LEU A 17 18.999 -4.829 -14.367 1.00 71.23 C ATOM 258 CG LEU A 17 18.258 -4.079 -15.485 1.00 22.32 C ATOM 259 CD1 LEU A 17 18.514 -2.577 -15.386 1.00 14.13 C ATOM 260 CD2 LEU A 17 18.678 -4.608 -16.859 1.00 60.04 C ATOM 0 H LEU A 17 16.779 -5.705 -13.646 1.00 14.24 H new ATOM 0 HA LEU A 17 18.821 -6.782 -15.248 1.00 10.40 H new ATOM 0 HB2 LEU A 17 18.753 -4.360 -13.414 1.00 71.23 H new ATOM 0 HB3 LEU A 17 20.071 -4.702 -14.517 1.00 71.23 H new ATOM 0 HG LEU A 17 17.189 -4.253 -15.363 1.00 22.32 H new ATOM 0 HD11 LEU A 17 17.981 -2.064 -16.186 1.00 14.13 H new ATOM 0 HD12 LEU A 17 18.162 -2.211 -14.422 1.00 14.13 H new ATOM 0 HD13 LEU A 17 19.583 -2.383 -15.479 1.00 14.13 H new ATOM 0 HD21 LEU A 17 18.142 -4.064 -17.637 1.00 60.04 H new ATOM 0 HD22 LEU A 17 19.751 -4.467 -16.991 1.00 60.04 H new ATOM 0 HD23 LEU A 17 18.440 -5.669 -16.928 1.00 60.04 H new ATOM 272 N LYS A 18 19.391 -6.880 -11.988 1.00 3.23 N ATOM 273 CA LYS A 18 20.201 -7.527 -10.945 1.00 13.14 C ATOM 274 C LYS A 18 20.167 -9.059 -11.083 1.00 74.45 C ATOM 275 O LYS A 18 21.134 -9.747 -10.748 1.00 41.21 O ATOM 276 CB LYS A 18 19.698 -7.123 -9.552 1.00 22.41 C ATOM 277 CG LYS A 18 19.791 -5.627 -9.266 1.00 43.00 C ATOM 278 CD LYS A 18 19.236 -5.281 -7.884 1.00 25.42 C ATOM 279 CE LYS A 18 19.326 -3.789 -7.591 1.00 13.10 C ATOM 280 NZ LYS A 18 18.678 -3.442 -6.299 1.00 31.22 N ATOM 0 H LYS A 18 18.600 -6.344 -11.630 1.00 3.23 H new ATOM 0 HA LYS A 18 21.231 -7.192 -11.069 1.00 13.14 H new ATOM 0 HB2 LYS A 18 18.660 -7.438 -9.447 1.00 22.41 H new ATOM 0 HB3 LYS A 18 20.273 -7.662 -8.799 1.00 22.41 H new ATOM 0 HG2 LYS A 18 20.831 -5.308 -9.331 1.00 43.00 H new ATOM 0 HG3 LYS A 18 19.240 -5.076 -10.028 1.00 43.00 H new ATOM 0 HD2 LYS A 18 18.196 -5.601 -7.820 1.00 25.42 H new ATOM 0 HD3 LYS A 18 19.787 -5.834 -7.123 1.00 25.42 H new ATOM 0 HE2 LYS A 18 20.373 -3.486 -7.566 1.00 13.10 H new ATOM 0 HE3 LYS A 18 18.851 -3.230 -8.398 1.00 13.10 H new ATOM 0 HZ1 LYS A 18 19.024 -2.516 -5.975 1.00 31.22 H new ATOM 0 HZ2 LYS A 18 17.647 -3.401 -6.428 1.00 31.22 H new ATOM 0 HZ3 LYS A 18 18.909 -4.166 -5.589 1.00 31.22 H new ATOM 294 N HIS A 19 19.039 -9.585 -11.566 1.00 54.13 N ATOM 295 CA HIS A 19 18.890 -11.026 -11.826 1.00 5.41 C ATOM 296 C HIS A 19 19.253 -11.381 -13.281 1.00 14.32 C ATOM 297 O HIS A 19 18.934 -12.468 -13.762 1.00 74.00 O ATOM 298 CB HIS A 19 17.457 -11.476 -11.512 1.00 64.01 C ATOM 299 CG HIS A 19 17.140 -11.487 -10.049 1.00 1.32 C ATOM 300 ND1 HIS A 19 16.673 -10.516 -9.232 1.00 24.34 N flip ATOM 301 CD2 HIS A 19 17.301 -12.601 -9.256 1.00 4.34 C flip ATOM 302 CE1 HIS A 19 16.564 -11.061 -7.978 1.00 71.44 C flip ATOM 303 NE2 HIS A 19 16.948 -12.317 -8.021 1.00 52.23 N flip ATOM 0 H HIS A 19 18.209 -9.034 -11.787 1.00 54.13 H new ATOM 0 HA HIS A 19 19.583 -11.555 -11.172 1.00 5.41 H new ATOM 0 HB2 HIS A 19 16.757 -10.814 -12.022 1.00 64.01 H new ATOM 0 HB3 HIS A 19 17.302 -12.476 -11.916 1.00 64.01 H new ATOM 0 HD1 HIS A 19 16.445 -9.558 -9.498 1.00 24.34 H new ATOM 0 HD2 HIS A 19 17.662 -13.561 -9.596 1.00 4.34 H new ATOM 0 HE1 HIS A 19 16.218 -10.541 -7.097 1.00 71.44 H new ATOM 312 N ASP A 20 19.912 -10.445 -13.971 1.00 73.22 N ATOM 313 CA ASP A 20 20.431 -10.668 -15.331 1.00 24.40 C ATOM 314 C ASP A 20 19.309 -10.766 -16.393 1.00 61.12 C ATOM 315 O ASP A 20 19.578 -10.980 -17.577 1.00 55.54 O ATOM 316 CB ASP A 20 21.321 -11.924 -15.352 1.00 60.53 C ATOM 317 CG ASP A 20 22.123 -12.057 -16.633 1.00 31.24 C ATOM 318 OD1 ASP A 20 22.996 -11.199 -16.876 1.00 74.11 O ATOM 319 OD2 ASP A 20 21.895 -13.022 -17.395 1.00 41.21 O ATOM 0 H ASP A 20 20.102 -9.512 -13.606 1.00 73.22 H new ATOM 0 HA ASP A 20 21.029 -9.797 -15.599 1.00 24.40 H new ATOM 0 HB2 ASP A 20 22.004 -11.894 -14.503 1.00 60.53 H new ATOM 0 HB3 ASP A 20 20.696 -12.808 -15.227 1.00 60.53 H new ATOM 324 N ASN A 21 18.053 -10.588 -15.981 1.00 74.41 N ATOM 325 CA ASN A 21 16.921 -10.621 -16.920 1.00 11.31 C ATOM 326 C ASN A 21 16.826 -9.311 -17.723 1.00 74.11 C ATOM 327 O ASN A 21 15.890 -8.521 -17.549 1.00 13.42 O ATOM 328 CB ASN A 21 15.607 -10.882 -16.174 1.00 51.24 C ATOM 329 CG ASN A 21 15.625 -12.185 -15.402 1.00 62.50 C ATOM 330 OD1 ASN A 21 15.975 -12.221 -14.230 1.00 70.25 O ATOM 331 ND2 ASN A 21 15.254 -13.268 -16.052 1.00 43.12 N ATOM 0 H ASN A 21 17.790 -10.420 -15.010 1.00 74.41 H new ATOM 0 HA ASN A 21 17.094 -11.438 -17.621 1.00 11.31 H new ATOM 0 HB2 ASN A 21 15.414 -10.059 -15.486 1.00 51.24 H new ATOM 0 HB3 ASN A 21 14.785 -10.899 -16.889 1.00 51.24 H new ATOM 0 HD21 ASN A 21 15.253 -14.172 -15.579 1.00 43.12 H new ATOM 0 HD22 ASN A 21 14.968 -13.204 -17.029 1.00 43.12 H new ATOM 338 N ALA A 22 17.808 -9.091 -18.597 1.00 35.14 N ATOM 339 CA ALA A 22 17.892 -7.868 -19.405 1.00 20.31 C ATOM 340 C ALA A 22 16.631 -7.631 -20.254 1.00 63.13 C ATOM 341 O ALA A 22 16.076 -6.536 -20.246 1.00 30.22 O ATOM 342 CB ALA A 22 19.128 -7.914 -20.296 1.00 42.40 C ATOM 0 H ALA A 22 18.567 -9.751 -18.767 1.00 35.14 H new ATOM 0 HA ALA A 22 17.970 -7.030 -18.712 1.00 20.31 H new ATOM 0 HB1 ALA A 22 19.181 -7.003 -20.891 1.00 42.40 H new ATOM 0 HB2 ALA A 22 20.021 -7.995 -19.676 1.00 42.40 H new ATOM 0 HB3 ALA A 22 19.067 -8.777 -20.959 1.00 42.40 H new ATOM 348 N SER A 23 16.182 -8.656 -20.982 1.00 30.44 N ATOM 349 CA SER A 23 14.992 -8.528 -21.844 1.00 45.41 C ATOM 350 C SER A 23 13.723 -8.217 -21.035 1.00 44.23 C ATOM 351 O SER A 23 12.911 -7.389 -21.445 1.00 61.54 O ATOM 352 CB SER A 23 14.777 -9.796 -22.687 1.00 34.54 C ATOM 353 OG SER A 23 15.800 -9.947 -23.667 1.00 71.32 O ATOM 0 H SER A 23 16.616 -9.579 -20.996 1.00 30.44 H new ATOM 0 HA SER A 23 15.180 -7.687 -22.511 1.00 45.41 H new ATOM 0 HB2 SER A 23 14.763 -10.670 -22.036 1.00 34.54 H new ATOM 0 HB3 SER A 23 13.805 -9.748 -23.178 1.00 34.54 H new ATOM 0 HG SER A 23 15.638 -10.762 -24.186 1.00 71.32 H new ATOM 359 N ARG A 24 13.548 -8.879 -19.888 1.00 52.23 N ATOM 360 CA ARG A 24 12.403 -8.595 -19.006 1.00 34.54 C ATOM 361 C ARG A 24 12.449 -7.154 -18.477 1.00 32.11 C ATOM 362 O ARG A 24 11.429 -6.465 -18.438 1.00 43.52 O ATOM 363 CB ARG A 24 12.348 -9.582 -17.829 1.00 12.44 C ATOM 364 CG ARG A 24 11.824 -10.966 -18.202 1.00 34.51 C ATOM 365 CD ARG A 24 10.401 -10.904 -18.758 1.00 53.33 C ATOM 366 NE ARG A 24 9.833 -12.233 -18.969 1.00 50.52 N ATOM 367 CZ ARG A 24 8.905 -12.511 -19.845 1.00 74.13 C ATOM 368 NH1 ARG A 24 8.441 -11.595 -20.638 1.00 3.45 N ATOM 369 NH2 ARG A 24 8.440 -13.715 -19.920 1.00 33.21 N ATOM 0 H ARG A 24 14.175 -9.608 -19.547 1.00 52.23 H new ATOM 0 HA ARG A 24 11.500 -8.716 -19.605 1.00 34.54 H new ATOM 0 HB2 ARG A 24 13.348 -9.685 -17.408 1.00 12.44 H new ATOM 0 HB3 ARG A 24 11.714 -9.164 -17.047 1.00 12.44 H new ATOM 0 HG2 ARG A 24 12.484 -11.417 -18.943 1.00 34.51 H new ATOM 0 HG3 ARG A 24 11.843 -11.611 -17.323 1.00 34.51 H new ATOM 0 HD2 ARG A 24 9.768 -10.345 -18.069 1.00 53.33 H new ATOM 0 HD3 ARG A 24 10.405 -10.358 -19.702 1.00 53.33 H new ATOM 0 HE ARG A 24 10.185 -12.997 -18.392 1.00 50.52 H new ATOM 0 HH11 ARG A 24 8.801 -10.642 -20.583 1.00 3.45 H new ATOM 0 HH12 ARG A 24 7.716 -11.828 -21.317 1.00 3.45 H new ATOM 0 HH21 ARG A 24 8.798 -14.440 -19.298 1.00 33.21 H new ATOM 0 HH22 ARG A 24 7.715 -13.940 -20.601 1.00 33.21 H new ATOM 383 N ALA A 25 13.630 -6.707 -18.062 1.00 54.54 N ATOM 384 CA ALA A 25 13.811 -5.328 -17.607 1.00 44.13 C ATOM 385 C ALA A 25 13.530 -4.328 -18.739 1.00 32.03 C ATOM 386 O ALA A 25 12.795 -3.359 -18.557 1.00 21.45 O ATOM 387 CB ALA A 25 15.218 -5.135 -17.069 1.00 74.13 C ATOM 0 H ALA A 25 14.476 -7.276 -18.030 1.00 54.54 H new ATOM 0 HA ALA A 25 13.096 -5.138 -16.807 1.00 44.13 H new ATOM 0 HB1 ALA A 25 15.341 -4.105 -16.733 1.00 74.13 H new ATOM 0 HB2 ALA A 25 15.383 -5.812 -16.231 1.00 74.13 H new ATOM 0 HB3 ALA A 25 15.941 -5.349 -17.856 1.00 74.13 H new ATOM 393 N LEU A 26 14.121 -4.583 -19.906 1.00 45.44 N ATOM 394 CA LEU A 26 13.912 -3.752 -21.099 1.00 4.20 C ATOM 395 C LEU A 26 12.420 -3.644 -21.443 1.00 14.42 C ATOM 396 O LEU A 26 11.915 -2.558 -21.728 1.00 2.42 O ATOM 397 CB LEU A 26 14.690 -4.344 -22.286 1.00 25.32 C ATOM 398 CG LEU A 26 14.615 -3.547 -23.602 1.00 10.23 C ATOM 399 CD1 LEU A 26 15.177 -2.138 -23.423 1.00 4.41 C ATOM 400 CD2 LEU A 26 15.355 -4.284 -24.716 1.00 72.11 C ATOM 0 H LEU A 26 14.756 -5.367 -20.054 1.00 45.44 H new ATOM 0 HA LEU A 26 14.281 -2.748 -20.889 1.00 4.20 H new ATOM 0 HB2 LEU A 26 15.737 -4.437 -21.999 1.00 25.32 H new ATOM 0 HB3 LEU A 26 14.320 -5.352 -22.472 1.00 25.32 H new ATOM 0 HG LEU A 26 13.566 -3.457 -23.884 1.00 10.23 H new ATOM 0 HD11 LEU A 26 15.112 -1.598 -24.367 1.00 4.41 H new ATOM 0 HD12 LEU A 26 14.601 -1.611 -22.663 1.00 4.41 H new ATOM 0 HD13 LEU A 26 16.220 -2.199 -23.111 1.00 4.41 H new ATOM 0 HD21 LEU A 26 15.292 -3.707 -25.639 1.00 72.11 H new ATOM 0 HD22 LEU A 26 16.401 -4.409 -24.437 1.00 72.11 H new ATOM 0 HD23 LEU A 26 14.901 -5.263 -24.869 1.00 72.11 H new ATOM 412 N ALA A 27 11.725 -4.780 -21.399 1.00 22.13 N ATOM 413 CA ALA A 27 10.278 -4.820 -21.633 1.00 74.44 C ATOM 414 C ALA A 27 9.529 -3.917 -20.644 1.00 54.43 C ATOM 415 O ALA A 27 8.636 -3.168 -21.030 1.00 1.44 O ATOM 416 CB ALA A 27 9.768 -6.256 -21.533 1.00 65.41 C ATOM 0 H ALA A 27 12.141 -5.690 -21.203 1.00 22.13 H new ATOM 0 HA ALA A 27 10.088 -4.445 -22.638 1.00 74.44 H new ATOM 0 HB1 ALA A 27 8.692 -6.273 -21.709 1.00 65.41 H new ATOM 0 HB2 ALA A 27 10.268 -6.872 -22.280 1.00 65.41 H new ATOM 0 HB3 ALA A 27 9.980 -6.649 -20.539 1.00 65.41 H new ATOM 422 N LEU A 28 9.904 -3.990 -19.364 1.00 34.12 N ATOM 423 CA LEU A 28 9.311 -3.127 -18.335 1.00 42.35 C ATOM 424 C LEU A 28 9.594 -1.642 -18.608 1.00 42.02 C ATOM 425 O LEU A 28 8.683 -0.821 -18.548 1.00 21.24 O ATOM 426 CB LEU A 28 9.811 -3.516 -16.936 1.00 32.42 C ATOM 427 CG LEU A 28 9.168 -4.779 -16.342 1.00 42.24 C ATOM 428 CD1 LEU A 28 9.790 -5.121 -14.995 1.00 24.14 C ATOM 429 CD2 LEU A 28 7.661 -4.596 -16.199 1.00 60.00 C ATOM 0 H LEU A 28 10.613 -4.635 -19.015 1.00 34.12 H new ATOM 0 HA LEU A 28 8.232 -3.275 -18.373 1.00 42.35 H new ATOM 0 HB2 LEU A 28 10.890 -3.663 -16.981 1.00 32.42 H new ATOM 0 HB3 LEU A 28 9.631 -2.682 -16.258 1.00 32.42 H new ATOM 0 HG LEU A 28 9.354 -5.607 -17.026 1.00 42.24 H new ATOM 0 HD11 LEU A 28 9.319 -6.018 -14.594 1.00 24.14 H new ATOM 0 HD12 LEU A 28 10.858 -5.298 -15.122 1.00 24.14 H new ATOM 0 HD13 LEU A 28 9.639 -4.292 -14.303 1.00 24.14 H new ATOM 0 HD21 LEU A 28 7.223 -5.501 -15.777 1.00 60.00 H new ATOM 0 HD22 LEU A 28 7.458 -3.752 -15.539 1.00 60.00 H new ATOM 0 HD23 LEU A 28 7.223 -4.404 -17.179 1.00 60.00 H new ATOM 441 N PHE A 29 10.848 -1.297 -18.913 1.00 65.12 N ATOM 442 CA PHE A 29 11.204 0.092 -19.245 1.00 63.53 C ATOM 443 C PHE A 29 10.389 0.605 -20.448 1.00 55.31 C ATOM 444 O PHE A 29 9.777 1.674 -20.391 1.00 15.31 O ATOM 445 CB PHE A 29 12.708 0.226 -19.533 1.00 62.02 C ATOM 446 CG PHE A 29 13.588 0.083 -18.313 1.00 21.24 C ATOM 447 CD1 PHE A 29 13.491 0.984 -17.261 1.00 44.12 C ATOM 448 CD2 PHE A 29 14.516 -0.945 -18.220 1.00 33.32 C ATOM 449 CE1 PHE A 29 14.298 0.861 -16.144 1.00 42.44 C ATOM 450 CE2 PHE A 29 15.324 -1.071 -17.106 1.00 42.24 C ATOM 451 CZ PHE A 29 15.215 -0.169 -16.066 1.00 63.43 C ATOM 0 H PHE A 29 11.630 -1.951 -18.938 1.00 65.12 H new ATOM 0 HA PHE A 29 10.961 0.704 -18.377 1.00 63.53 H new ATOM 0 HB2 PHE A 29 12.995 -0.529 -20.265 1.00 62.02 H new ATOM 0 HB3 PHE A 29 12.894 1.198 -19.989 1.00 62.02 H new ATOM 0 HD1 PHE A 29 12.776 1.792 -17.315 1.00 44.12 H new ATOM 0 HD2 PHE A 29 14.608 -1.655 -19.028 1.00 33.32 H new ATOM 0 HE1 PHE A 29 14.211 1.570 -15.334 1.00 42.44 H new ATOM 0 HE2 PHE A 29 16.042 -1.876 -17.049 1.00 42.24 H new ATOM 0 HZ PHE A 29 15.845 -0.269 -15.194 1.00 63.43 H new ATOM 461 N GLU A 30 10.370 -0.168 -21.530 1.00 64.44 N ATOM 462 CA GLU A 30 9.569 0.178 -22.710 1.00 32.20 C ATOM 463 C GLU A 30 8.066 0.208 -22.365 1.00 62.04 C ATOM 464 O GLU A 30 7.289 0.949 -22.972 1.00 24.21 O ATOM 465 CB GLU A 30 9.847 -0.811 -23.855 1.00 13.44 C ATOM 466 CG GLU A 30 11.303 -0.801 -24.329 1.00 53.24 C ATOM 467 CD GLU A 30 11.551 -1.655 -25.568 1.00 40.35 C ATOM 468 OE1 GLU A 30 10.913 -2.725 -25.706 1.00 34.30 O ATOM 469 OE2 GLU A 30 12.383 -1.258 -26.416 1.00 25.11 O ATOM 0 H GLU A 30 10.897 -1.037 -21.618 1.00 64.44 H new ATOM 0 HA GLU A 30 9.857 1.176 -23.039 1.00 32.20 H new ATOM 0 HB2 GLU A 30 9.587 -1.817 -23.527 1.00 13.44 H new ATOM 0 HB3 GLU A 30 9.197 -0.572 -24.697 1.00 13.44 H new ATOM 0 HG2 GLU A 30 11.599 0.226 -24.541 1.00 53.24 H new ATOM 0 HG3 GLU A 30 11.941 -1.156 -23.520 1.00 53.24 H new ATOM 476 N GLU A 31 7.668 -0.599 -21.382 1.00 30.00 N ATOM 477 CA GLU A 31 6.285 -0.609 -20.887 1.00 13.00 C ATOM 478 C GLU A 31 6.015 0.601 -19.968 1.00 63.20 C ATOM 479 O GLU A 31 4.881 1.057 -19.840 1.00 61.31 O ATOM 480 CB GLU A 31 6.003 -1.917 -20.130 1.00 12.53 C ATOM 481 CG GLU A 31 4.539 -2.113 -19.742 1.00 2.13 C ATOM 482 CD GLU A 31 4.319 -3.356 -18.893 1.00 33.25 C ATOM 483 OE1 GLU A 31 4.341 -4.474 -19.448 1.00 44.11 O ATOM 484 OE2 GLU A 31 4.129 -3.218 -17.664 1.00 64.45 O ATOM 0 H GLU A 31 8.285 -1.259 -20.908 1.00 30.00 H new ATOM 0 HA GLU A 31 5.618 -0.540 -21.746 1.00 13.00 H new ATOM 0 HB2 GLU A 31 6.319 -2.757 -20.749 1.00 12.53 H new ATOM 0 HB3 GLU A 31 6.613 -1.940 -19.227 1.00 12.53 H new ATOM 0 HG2 GLU A 31 4.192 -1.237 -19.194 1.00 2.13 H new ATOM 0 HG3 GLU A 31 3.934 -2.183 -20.646 1.00 2.13 H new ATOM 491 N LEU A 32 7.060 1.112 -19.316 1.00 40.41 N ATOM 492 CA LEU A 32 6.937 2.322 -18.495 1.00 62.11 C ATOM 493 C LEU A 32 6.524 3.518 -19.360 1.00 14.23 C ATOM 494 O LEU A 32 5.719 4.348 -18.942 1.00 10.45 O ATOM 495 CB LEU A 32 8.255 2.634 -17.769 1.00 72.30 C ATOM 496 CG LEU A 32 8.710 1.596 -16.730 1.00 1.04 C ATOM 497 CD1 LEU A 32 10.052 1.986 -16.123 1.00 21.55 C ATOM 498 CD2 LEU A 32 7.659 1.423 -15.641 1.00 14.34 C ATOM 0 H LEU A 32 7.998 0.711 -19.339 1.00 40.41 H new ATOM 0 HA LEU A 32 6.165 2.140 -17.747 1.00 62.11 H new ATOM 0 HB2 LEU A 32 9.042 2.742 -18.515 1.00 72.30 H new ATOM 0 HB3 LEU A 32 8.154 3.598 -17.271 1.00 72.30 H new ATOM 0 HG LEU A 32 8.833 0.641 -17.241 1.00 1.04 H new ATOM 0 HD11 LEU A 32 10.352 1.236 -15.391 1.00 21.55 H new ATOM 0 HD12 LEU A 32 10.804 2.046 -16.910 1.00 21.55 H new ATOM 0 HD13 LEU A 32 9.962 2.955 -15.633 1.00 21.55 H new ATOM 0 HD21 LEU A 32 8.003 0.684 -14.917 1.00 14.34 H new ATOM 0 HD22 LEU A 32 7.497 2.376 -15.137 1.00 14.34 H new ATOM 0 HD23 LEU A 32 6.724 1.085 -16.088 1.00 14.34 H new ATOM 510 N VAL A 33 7.068 3.578 -20.575 1.00 11.51 N ATOM 511 CA VAL A 33 6.753 4.653 -21.525 1.00 11.41 C ATOM 512 C VAL A 33 5.246 4.714 -21.848 1.00 51.41 C ATOM 513 O VAL A 33 4.646 5.787 -21.842 1.00 21.23 O ATOM 514 CB VAL A 33 7.551 4.482 -22.844 1.00 1.41 C ATOM 515 CG1 VAL A 33 7.278 5.642 -23.801 1.00 15.15 C ATOM 516 CG2 VAL A 33 9.047 4.356 -22.556 1.00 31.21 C ATOM 0 H VAL A 33 7.734 2.891 -20.930 1.00 11.51 H new ATOM 0 HA VAL A 33 7.042 5.588 -21.044 1.00 11.41 H new ATOM 0 HB VAL A 33 7.217 3.563 -23.326 1.00 1.41 H new ATOM 0 HG11 VAL A 33 7.849 5.499 -24.718 1.00 15.15 H new ATOM 0 HG12 VAL A 33 6.214 5.676 -24.037 1.00 15.15 H new ATOM 0 HG13 VAL A 33 7.576 6.579 -23.331 1.00 15.15 H new ATOM 0 HG21 VAL A 33 9.589 4.237 -23.494 1.00 31.21 H new ATOM 0 HG22 VAL A 33 9.396 5.254 -22.046 1.00 31.21 H new ATOM 0 HG23 VAL A 33 9.224 3.487 -21.922 1.00 31.21 H new ATOM 526 N GLU A 34 4.636 3.555 -22.124 1.00 55.40 N ATOM 527 CA GLU A 34 3.201 3.504 -22.452 1.00 72.23 C ATOM 528 C GLU A 34 2.330 3.796 -21.216 1.00 74.34 C ATOM 529 O GLU A 34 1.252 4.387 -21.328 1.00 25.31 O ATOM 530 CB GLU A 34 2.819 2.138 -23.056 1.00 2.35 C ATOM 531 CG GLU A 34 3.003 0.960 -22.104 1.00 64.44 C ATOM 532 CD GLU A 34 2.561 -0.369 -22.698 1.00 55.13 C ATOM 533 OE1 GLU A 34 3.304 -0.933 -23.529 1.00 23.11 O ATOM 534 OE2 GLU A 34 1.474 -0.863 -22.327 1.00 2.33 O ATOM 0 H GLU A 34 5.104 2.649 -22.128 1.00 55.40 H new ATOM 0 HA GLU A 34 3.012 4.280 -23.194 1.00 72.23 H new ATOM 0 HB2 GLU A 34 1.778 2.173 -23.376 1.00 2.35 H new ATOM 0 HB3 GLU A 34 3.421 1.967 -23.949 1.00 2.35 H new ATOM 0 HG2 GLU A 34 4.053 0.892 -21.820 1.00 64.44 H new ATOM 0 HG3 GLU A 34 2.438 1.148 -21.191 1.00 64.44 H new ATOM 541 N THR A 35 2.798 3.371 -20.040 1.00 0.02 N ATOM 542 CA THR A 35 2.084 3.627 -18.777 1.00 73.20 C ATOM 543 C THR A 35 2.321 5.054 -18.265 1.00 34.23 C ATOM 544 O THR A 35 1.532 5.579 -17.480 1.00 4.04 O ATOM 545 CB THR A 35 2.494 2.624 -17.665 1.00 45.00 C ATOM 546 OG1 THR A 35 3.913 2.693 -17.408 1.00 23.34 O ATOM 547 CG2 THR A 35 2.109 1.196 -18.050 1.00 4.25 C ATOM 0 H THR A 35 3.667 2.848 -19.931 1.00 0.02 H new ATOM 0 HA THR A 35 1.025 3.498 -19.003 1.00 73.20 H new ATOM 0 HB THR A 35 1.958 2.900 -16.757 1.00 45.00 H new ATOM 0 HG1 THR A 35 4.328 3.323 -18.033 1.00 23.34 H new ATOM 0 HG21 THR A 35 2.407 0.512 -17.255 1.00 4.25 H new ATOM 0 HG22 THR A 35 1.030 1.137 -18.195 1.00 4.25 H new ATOM 0 HG23 THR A 35 2.615 0.920 -18.975 1.00 4.25 H new ATOM 555 N ASP A 36 3.413 5.671 -18.708 1.00 22.40 N ATOM 556 CA ASP A 36 3.757 7.037 -18.301 1.00 73.21 C ATOM 557 C ASP A 36 4.748 7.666 -19.306 1.00 20.11 C ATOM 558 O ASP A 36 5.952 7.402 -19.257 1.00 35.45 O ATOM 559 CB ASP A 36 4.356 7.028 -16.887 1.00 1.41 C ATOM 560 CG ASP A 36 4.306 8.398 -16.241 1.00 41.11 C ATOM 561 OD1 ASP A 36 5.112 9.268 -16.619 1.00 3.04 O ATOM 562 OD2 ASP A 36 3.444 8.613 -15.362 1.00 65.52 O ATOM 0 H ASP A 36 4.080 5.247 -19.352 1.00 22.40 H new ATOM 0 HA ASP A 36 2.850 7.641 -18.293 1.00 73.21 H new ATOM 0 HB2 ASP A 36 3.812 6.315 -16.267 1.00 1.41 H new ATOM 0 HB3 ASP A 36 5.390 6.686 -16.933 1.00 1.41 H new ATOM 567 N PRO A 37 4.252 8.513 -20.230 1.00 41.43 N ATOM 568 CA PRO A 37 5.067 9.038 -21.344 1.00 63.01 C ATOM 569 C PRO A 37 6.041 10.165 -20.948 1.00 0.02 C ATOM 570 O PRO A 37 6.826 10.632 -21.779 1.00 63.55 O ATOM 571 CB PRO A 37 4.004 9.564 -22.313 1.00 64.31 C ATOM 572 CG PRO A 37 2.880 9.994 -21.427 1.00 3.52 C ATOM 573 CD PRO A 37 2.865 9.024 -20.271 1.00 74.43 C ATOM 0 HA PRO A 37 5.724 8.268 -21.749 1.00 63.01 H new ATOM 0 HB2 PRO A 37 4.383 10.396 -22.907 1.00 64.31 H new ATOM 0 HB3 PRO A 37 3.686 8.791 -23.013 1.00 64.31 H new ATOM 0 HG2 PRO A 37 3.028 11.016 -21.077 1.00 3.52 H new ATOM 0 HG3 PRO A 37 1.931 9.976 -21.964 1.00 3.52 H new ATOM 0 HD2 PRO A 37 2.591 9.516 -19.338 1.00 74.43 H new ATOM 0 HD3 PRO A 37 2.146 8.221 -20.431 1.00 74.43 H new ATOM 581 N ASP A 38 5.999 10.605 -19.692 1.00 22.21 N ATOM 582 CA ASP A 38 6.862 11.705 -19.241 1.00 42.31 C ATOM 583 C ASP A 38 7.757 11.313 -18.054 1.00 34.31 C ATOM 584 O ASP A 38 8.471 12.157 -17.504 1.00 64.13 O ATOM 585 CB ASP A 38 6.016 12.936 -18.903 1.00 32.20 C ATOM 586 CG ASP A 38 4.889 12.643 -17.930 1.00 41.34 C ATOM 587 OD1 ASP A 38 3.811 12.200 -18.380 1.00 25.41 O ATOM 588 OD2 ASP A 38 5.066 12.877 -16.716 1.00 34.53 O ATOM 0 H ASP A 38 5.385 10.224 -18.972 1.00 22.21 H new ATOM 0 HA ASP A 38 7.533 11.945 -20.066 1.00 42.31 H new ATOM 0 HB2 ASP A 38 6.661 13.706 -18.480 1.00 32.20 H new ATOM 0 HB3 ASP A 38 5.596 13.343 -19.823 1.00 32.20 H new ATOM 593 N TYR A 39 7.735 10.040 -17.669 1.00 71.14 N ATOM 594 CA TYR A 39 8.615 9.547 -16.604 1.00 32.22 C ATOM 595 C TYR A 39 10.081 9.535 -17.082 1.00 61.41 C ATOM 596 O TYR A 39 10.540 8.575 -17.709 1.00 31.25 O ATOM 597 CB TYR A 39 8.178 8.142 -16.159 1.00 50.50 C ATOM 598 CG TYR A 39 8.733 7.716 -14.810 1.00 44.22 C ATOM 599 CD1 TYR A 39 8.091 8.083 -13.632 1.00 71.13 C ATOM 600 CD2 TYR A 39 9.885 6.943 -14.711 1.00 11.22 C ATOM 601 CE1 TYR A 39 8.579 7.693 -12.399 1.00 53.03 C ATOM 602 CE2 TYR A 39 10.380 6.550 -13.482 1.00 35.04 C ATOM 603 CZ TYR A 39 9.723 6.927 -12.328 1.00 34.53 C ATOM 604 OH TYR A 39 10.209 6.534 -11.101 1.00 50.21 O ATOM 0 H TYR A 39 7.123 9.332 -18.073 1.00 71.14 H new ATOM 0 HA TYR A 39 8.539 10.218 -15.749 1.00 32.22 H new ATOM 0 HB2 TYR A 39 7.089 8.108 -16.119 1.00 50.50 H new ATOM 0 HB3 TYR A 39 8.492 7.420 -16.913 1.00 50.50 H new ATOM 0 HD1 TYR A 39 7.195 8.684 -13.682 1.00 71.13 H new ATOM 0 HD2 TYR A 39 10.402 6.644 -15.611 1.00 11.22 H new ATOM 0 HE1 TYR A 39 8.066 7.987 -11.495 1.00 53.03 H new ATOM 0 HE2 TYR A 39 11.277 5.951 -13.425 1.00 35.04 H new ATOM 0 HH TYR A 39 11.021 5.999 -11.227 1.00 50.21 H new ATOM 614 N VAL A 40 10.806 10.615 -16.792 1.00 34.42 N ATOM 615 CA VAL A 40 12.186 10.789 -17.268 1.00 53.02 C ATOM 616 C VAL A 40 13.100 9.629 -16.842 1.00 42.30 C ATOM 617 O VAL A 40 13.910 9.141 -17.636 1.00 35.25 O ATOM 618 CB VAL A 40 12.795 12.115 -16.759 1.00 12.41 C ATOM 619 CG1 VAL A 40 14.221 12.288 -17.279 1.00 73.41 C ATOM 620 CG2 VAL A 40 11.919 13.301 -17.164 1.00 40.21 C ATOM 0 H VAL A 40 10.461 11.390 -16.226 1.00 34.42 H new ATOM 0 HA VAL A 40 12.127 10.807 -18.356 1.00 53.02 H new ATOM 0 HB VAL A 40 12.834 12.079 -15.670 1.00 12.41 H new ATOM 0 HG11 VAL A 40 14.632 13.228 -16.909 1.00 73.41 H new ATOM 0 HG12 VAL A 40 14.838 11.460 -16.930 1.00 73.41 H new ATOM 0 HG13 VAL A 40 14.212 12.300 -18.369 1.00 73.41 H new ATOM 0 HG21 VAL A 40 12.365 14.225 -16.796 1.00 40.21 H new ATOM 0 HG22 VAL A 40 11.842 13.342 -18.251 1.00 40.21 H new ATOM 0 HG23 VAL A 40 10.924 13.182 -16.734 1.00 40.21 H new ATOM 630 N GLY A 41 12.959 9.195 -15.587 1.00 11.52 N ATOM 631 CA GLY A 41 13.760 8.087 -15.068 1.00 32.44 C ATOM 632 C GLY A 41 13.781 6.872 -15.994 1.00 33.50 C ATOM 633 O GLY A 41 14.787 6.158 -16.077 1.00 55.15 O ATOM 0 H GLY A 41 12.301 9.592 -14.916 1.00 11.52 H new ATOM 0 HA2 GLY A 41 14.782 8.430 -14.907 1.00 32.44 H new ATOM 0 HA3 GLY A 41 13.368 7.788 -14.096 1.00 32.44 H new ATOM 637 N THR A 42 12.667 6.646 -16.692 1.00 73.34 N ATOM 638 CA THR A 42 12.564 5.557 -17.671 1.00 64.03 C ATOM 639 C THR A 42 13.517 5.783 -18.846 1.00 41.34 C ATOM 640 O THR A 42 14.388 4.962 -19.110 1.00 43.31 O ATOM 641 CB THR A 42 11.125 5.424 -18.231 1.00 21.42 C ATOM 642 OG1 THR A 42 10.205 5.136 -17.169 1.00 64.31 O ATOM 643 CG2 THR A 42 11.042 4.329 -19.293 1.00 0.20 C ATOM 0 H THR A 42 11.818 7.204 -16.598 1.00 73.34 H new ATOM 0 HA THR A 42 12.832 4.641 -17.144 1.00 64.03 H new ATOM 0 HB THR A 42 10.859 6.374 -18.695 1.00 21.42 H new ATOM 0 HG1 THR A 42 9.318 5.482 -17.402 1.00 64.31 H new ATOM 0 HG21 THR A 42 10.020 4.261 -19.666 1.00 0.20 H new ATOM 0 HG22 THR A 42 11.714 4.570 -20.117 1.00 0.20 H new ATOM 0 HG23 THR A 42 11.333 3.374 -18.855 1.00 0.20 H new ATOM 651 N TYR A 43 13.362 6.921 -19.526 1.00 32.34 N ATOM 652 CA TYR A 43 14.163 7.243 -20.716 1.00 73.01 C ATOM 653 C TYR A 43 15.667 7.224 -20.414 1.00 2.55 C ATOM 654 O TYR A 43 16.466 6.709 -21.201 1.00 5.14 O ATOM 655 CB TYR A 43 13.769 8.622 -21.265 1.00 13.10 C ATOM 656 CG TYR A 43 12.348 8.693 -21.791 1.00 22.25 C ATOM 657 CD1 TYR A 43 11.285 9.033 -20.957 1.00 24.21 C ATOM 658 CD2 TYR A 43 12.071 8.425 -23.127 1.00 14.14 C ATOM 659 CE1 TYR A 43 9.992 9.101 -21.442 1.00 31.44 C ATOM 660 CE2 TYR A 43 10.782 8.492 -23.615 1.00 12.40 C ATOM 661 CZ TYR A 43 9.748 8.829 -22.773 1.00 53.40 C ATOM 662 OH TYR A 43 8.466 8.899 -23.266 1.00 14.34 O ATOM 0 H TYR A 43 12.685 7.641 -19.273 1.00 32.34 H new ATOM 0 HA TYR A 43 13.957 6.476 -21.463 1.00 73.01 H new ATOM 0 HB2 TYR A 43 13.891 9.364 -20.476 1.00 13.10 H new ATOM 0 HB3 TYR A 43 14.456 8.893 -22.067 1.00 13.10 H new ATOM 0 HD1 TYR A 43 11.474 9.247 -19.915 1.00 24.21 H new ATOM 0 HD2 TYR A 43 12.878 8.160 -23.794 1.00 14.14 H new ATOM 0 HE1 TYR A 43 9.178 9.365 -20.783 1.00 31.44 H new ATOM 0 HE2 TYR A 43 10.586 8.280 -24.656 1.00 12.40 H new ATOM 0 HH TYR A 43 7.939 9.519 -22.720 1.00 14.34 H new ATOM 672 N TYR A 44 16.041 7.781 -19.268 1.00 11.32 N ATOM 673 CA TYR A 44 17.450 7.878 -18.877 1.00 61.23 C ATOM 674 C TYR A 44 18.107 6.490 -18.771 1.00 55.34 C ATOM 675 O TYR A 44 19.116 6.221 -19.421 1.00 24.32 O ATOM 676 CB TYR A 44 17.571 8.640 -17.549 1.00 52.11 C ATOM 677 CG TYR A 44 18.997 9.008 -17.180 1.00 21.50 C ATOM 678 CD1 TYR A 44 19.676 10.008 -17.871 1.00 25.11 C ATOM 679 CD2 TYR A 44 19.662 8.365 -16.142 1.00 2.35 C ATOM 680 CE1 TYR A 44 20.971 10.354 -17.540 1.00 64.15 C ATOM 681 CE2 TYR A 44 20.957 8.709 -15.804 1.00 34.31 C ATOM 682 CZ TYR A 44 21.606 9.704 -16.505 1.00 65.51 C ATOM 683 OH TYR A 44 22.896 10.052 -16.166 1.00 0.31 O ATOM 0 H TYR A 44 15.389 8.174 -18.589 1.00 11.32 H new ATOM 0 HA TYR A 44 17.981 8.428 -19.654 1.00 61.23 H new ATOM 0 HB2 TYR A 44 16.975 9.550 -17.608 1.00 52.11 H new ATOM 0 HB3 TYR A 44 17.145 8.031 -16.752 1.00 52.11 H new ATOM 0 HD1 TYR A 44 19.181 10.523 -18.681 1.00 25.11 H new ATOM 0 HD2 TYR A 44 19.158 7.584 -15.591 1.00 2.35 H new ATOM 0 HE1 TYR A 44 21.483 11.130 -18.090 1.00 64.15 H new ATOM 0 HE2 TYR A 44 21.459 8.201 -14.994 1.00 34.31 H new ATOM 0 HH TYR A 44 23.197 9.499 -15.415 1.00 0.31 H new ATOM 693 N HIS A 45 17.522 5.603 -17.963 1.00 1.03 N ATOM 694 CA HIS A 45 18.063 4.246 -17.787 1.00 63.41 C ATOM 695 C HIS A 45 17.794 3.353 -19.011 1.00 24.33 C ATOM 696 O HIS A 45 18.573 2.447 -19.305 1.00 25.32 O ATOM 697 CB HIS A 45 17.494 3.603 -16.515 1.00 12.43 C ATOM 698 CG HIS A 45 18.119 4.123 -15.253 1.00 54.31 C ATOM 699 ND1 HIS A 45 18.245 5.385 -14.775 1.00 44.22 N flip ATOM 700 CD2 HIS A 45 18.713 3.306 -14.314 1.00 22.25 C flip ATOM 701 CE1 HIS A 45 18.905 5.301 -13.576 1.00 74.14 C flip ATOM 702 NE2 HIS A 45 19.174 4.039 -13.321 1.00 21.53 N flip ATOM 0 H HIS A 45 16.679 5.794 -17.422 1.00 1.03 H new ATOM 0 HA HIS A 45 19.144 4.337 -17.685 1.00 63.41 H new ATOM 0 HB2 HIS A 45 16.419 3.778 -16.478 1.00 12.43 H new ATOM 0 HB3 HIS A 45 17.640 2.524 -16.566 1.00 12.43 H new ATOM 0 HD2 HIS A 45 18.789 2.231 -14.382 1.00 22.25 H new ATOM 0 HE1 HIS A 45 19.163 6.137 -12.943 1.00 74.14 H new ATOM 0 HE2 HIS A 45 19.658 3.687 -12.495 1.00 21.53 H new ATOM 711 N LEU A 46 16.693 3.615 -19.717 1.00 62.11 N ATOM 712 CA LEU A 46 16.357 2.875 -20.942 1.00 64.24 C ATOM 713 C LEU A 46 17.479 3.013 -21.983 1.00 65.53 C ATOM 714 O LEU A 46 17.911 2.027 -22.589 1.00 20.30 O ATOM 715 CB LEU A 46 15.026 3.389 -21.515 1.00 0.22 C ATOM 716 CG LEU A 46 14.524 2.691 -22.791 1.00 44.44 C ATOM 717 CD1 LEU A 46 14.343 1.194 -22.563 1.00 32.30 C ATOM 718 CD2 LEU A 46 13.218 3.325 -23.270 1.00 4.30 C ATOM 0 H LEU A 46 16.016 4.334 -19.464 1.00 62.11 H new ATOM 0 HA LEU A 46 16.251 1.819 -20.695 1.00 64.24 H new ATOM 0 HB2 LEU A 46 14.260 3.290 -20.746 1.00 0.22 H new ATOM 0 HB3 LEU A 46 15.131 4.453 -21.725 1.00 0.22 H new ATOM 0 HG LEU A 46 15.278 2.823 -23.567 1.00 44.44 H new ATOM 0 HD11 LEU A 46 13.988 0.726 -23.481 1.00 32.30 H new ATOM 0 HD12 LEU A 46 15.297 0.752 -22.276 1.00 32.30 H new ATOM 0 HD13 LEU A 46 13.615 1.032 -21.768 1.00 32.30 H new ATOM 0 HD21 LEU A 46 12.878 2.819 -24.173 1.00 4.30 H new ATOM 0 HD22 LEU A 46 12.460 3.229 -22.493 1.00 4.30 H new ATOM 0 HD23 LEU A 46 13.384 4.380 -23.486 1.00 4.30 H new ATOM 730 N GLY A 47 17.958 4.243 -22.170 1.00 13.40 N ATOM 731 CA GLY A 47 19.084 4.484 -23.063 1.00 65.43 C ATOM 732 C GLY A 47 20.352 3.760 -22.619 1.00 5.12 C ATOM 733 O GLY A 47 21.025 3.121 -23.430 1.00 50.14 O ATOM 0 H GLY A 47 17.586 5.079 -21.718 1.00 13.40 H new ATOM 0 HA2 GLY A 47 18.820 4.161 -24.070 1.00 65.43 H new ATOM 0 HA3 GLY A 47 19.280 5.555 -23.113 1.00 65.43 H new ATOM 737 N LYS A 48 20.672 3.849 -21.326 1.00 44.41 N ATOM 738 CA LYS A 48 21.853 3.167 -20.778 1.00 43.35 C ATOM 739 C LYS A 48 21.781 1.652 -21.035 1.00 61.35 C ATOM 740 O LYS A 48 22.795 1.001 -21.296 1.00 64.12 O ATOM 741 CB LYS A 48 21.988 3.417 -19.265 1.00 62.32 C ATOM 742 CG LYS A 48 21.810 4.874 -18.831 1.00 31.25 C ATOM 743 CD LYS A 48 22.761 5.849 -19.531 1.00 34.42 C ATOM 744 CE LYS A 48 24.227 5.615 -19.180 1.00 41.13 C ATOM 745 NZ LYS A 48 24.814 4.473 -19.930 1.00 13.42 N ATOM 0 H LYS A 48 20.136 4.382 -20.641 1.00 44.41 H new ATOM 0 HA LYS A 48 22.726 3.577 -21.285 1.00 43.35 H new ATOM 0 HB2 LYS A 48 21.251 2.806 -18.744 1.00 62.32 H new ATOM 0 HB3 LYS A 48 22.971 3.075 -18.942 1.00 62.32 H new ATOM 0 HG2 LYS A 48 20.782 5.179 -19.028 1.00 31.25 H new ATOM 0 HG3 LYS A 48 21.962 4.943 -17.754 1.00 31.25 H new ATOM 0 HD2 LYS A 48 22.634 5.759 -20.610 1.00 34.42 H new ATOM 0 HD3 LYS A 48 22.488 6.869 -19.262 1.00 34.42 H new ATOM 0 HE2 LYS A 48 24.798 6.519 -19.394 1.00 41.13 H new ATOM 0 HE3 LYS A 48 24.316 5.428 -18.110 1.00 41.13 H new ATOM 0 HZ1 LYS A 48 25.850 4.563 -19.944 1.00 13.42 H new ATOM 0 HZ2 LYS A 48 24.550 3.581 -19.466 1.00 13.42 H new ATOM 0 HZ3 LYS A 48 24.453 4.476 -20.905 1.00 13.42 H new ATOM 759 N LEU A 49 20.569 1.101 -20.952 1.00 41.51 N ATOM 760 CA LEU A 49 20.344 -0.322 -21.224 1.00 5.31 C ATOM 761 C LEU A 49 20.602 -0.646 -22.705 1.00 54.23 C ATOM 762 O LEU A 49 21.217 -1.666 -23.026 1.00 61.42 O ATOM 763 CB LEU A 49 18.919 -0.724 -20.814 1.00 34.32 C ATOM 764 CG LEU A 49 18.587 -2.223 -20.943 1.00 4.25 C ATOM 765 CD1 LEU A 49 19.639 -3.075 -20.229 1.00 53.13 C ATOM 766 CD2 LEU A 49 17.196 -2.509 -20.381 1.00 2.43 C ATOM 0 H LEU A 49 19.727 1.618 -20.699 1.00 41.51 H new ATOM 0 HA LEU A 49 21.050 -0.902 -20.629 1.00 5.31 H new ATOM 0 HB2 LEU A 49 18.759 -0.423 -19.779 1.00 34.32 H new ATOM 0 HB3 LEU A 49 18.212 -0.160 -21.423 1.00 34.32 H new ATOM 0 HG LEU A 49 18.596 -2.487 -22.001 1.00 4.25 H new ATOM 0 HD11 LEU A 49 19.385 -4.130 -20.333 1.00 53.13 H new ATOM 0 HD12 LEU A 49 20.618 -2.892 -20.673 1.00 53.13 H new ATOM 0 HD13 LEU A 49 19.665 -2.811 -19.172 1.00 53.13 H new ATOM 0 HD21 LEU A 49 16.975 -3.572 -20.479 1.00 2.43 H new ATOM 0 HD22 LEU A 49 17.164 -2.227 -19.329 1.00 2.43 H new ATOM 0 HD23 LEU A 49 16.455 -1.932 -20.934 1.00 2.43 H new ATOM 778 N TYR A 50 20.144 0.230 -23.604 1.00 52.42 N ATOM 779 CA TYR A 50 20.455 0.090 -25.034 1.00 73.31 C ATOM 780 C TYR A 50 21.974 0.082 -25.264 1.00 62.53 C ATOM 781 O TYR A 50 22.493 -0.764 -25.993 1.00 44.53 O ATOM 782 CB TYR A 50 19.823 1.215 -25.869 1.00 42.02 C ATOM 783 CG TYR A 50 18.310 1.156 -25.977 1.00 34.31 C ATOM 784 CD1 TYR A 50 17.662 0.003 -26.413 1.00 25.01 C ATOM 785 CD2 TYR A 50 17.531 2.259 -25.655 1.00 74.14 C ATOM 786 CE1 TYR A 50 16.283 -0.042 -26.523 1.00 52.14 C ATOM 787 CE2 TYR A 50 16.158 2.220 -25.765 1.00 11.42 C ATOM 788 CZ TYR A 50 15.537 1.070 -26.196 1.00 15.23 C ATOM 789 OH TYR A 50 14.163 1.041 -26.309 1.00 61.30 O ATOM 0 H TYR A 50 19.563 1.036 -23.373 1.00 52.42 H new ATOM 0 HA TYR A 50 20.032 -0.861 -25.358 1.00 73.31 H new ATOM 0 HB2 TYR A 50 20.105 2.174 -25.433 1.00 42.02 H new ATOM 0 HB3 TYR A 50 20.246 1.184 -26.873 1.00 42.02 H new ATOM 0 HD1 TYR A 50 18.245 -0.870 -26.669 1.00 25.01 H new ATOM 0 HD2 TYR A 50 18.010 3.164 -25.312 1.00 74.14 H new ATOM 0 HE1 TYR A 50 15.794 -0.943 -26.863 1.00 52.14 H new ATOM 0 HE2 TYR A 50 15.570 3.090 -25.513 1.00 11.42 H new ATOM 0 HH TYR A 50 13.855 0.111 -26.319 1.00 61.30 H new ATOM 799 N GLU A 51 22.680 1.025 -24.635 1.00 44.42 N ATOM 800 CA GLU A 51 24.144 1.089 -24.729 1.00 53.11 C ATOM 801 C GLU A 51 24.782 -0.242 -24.303 1.00 3.34 C ATOM 802 O GLU A 51 25.687 -0.751 -24.967 1.00 43.44 O ATOM 803 CB GLU A 51 24.703 2.232 -23.865 1.00 64.21 C ATOM 804 CG GLU A 51 24.236 3.624 -24.284 1.00 45.03 C ATOM 805 CD GLU A 51 25.008 4.735 -23.583 1.00 10.00 C ATOM 806 OE1 GLU A 51 26.137 5.043 -24.020 1.00 61.40 O ATOM 807 OE2 GLU A 51 24.503 5.299 -22.583 1.00 75.21 O ATOM 0 H GLU A 51 22.264 1.754 -24.056 1.00 44.42 H new ATOM 0 HA GLU A 51 24.396 1.282 -25.772 1.00 53.11 H new ATOM 0 HB2 GLU A 51 24.414 2.062 -22.828 1.00 64.21 H new ATOM 0 HB3 GLU A 51 25.792 2.201 -23.902 1.00 64.21 H new ATOM 0 HG2 GLU A 51 24.349 3.732 -25.363 1.00 45.03 H new ATOM 0 HG3 GLU A 51 23.174 3.729 -24.063 1.00 45.03 H new ATOM 814 N ARG A 52 24.292 -0.808 -23.199 1.00 24.44 N ATOM 815 CA ARG A 52 24.773 -2.109 -22.716 1.00 13.22 C ATOM 816 C ARG A 52 24.527 -3.207 -23.766 1.00 24.34 C ATOM 817 O ARG A 52 25.335 -4.123 -23.927 1.00 40.32 O ATOM 818 CB ARG A 52 24.077 -2.484 -21.397 1.00 51.53 C ATOM 819 CG ARG A 52 24.709 -3.681 -20.682 1.00 33.31 C ATOM 820 CD ARG A 52 23.953 -4.053 -19.407 1.00 4.12 C ATOM 821 NE ARG A 52 24.646 -5.095 -18.646 1.00 35.01 N ATOM 822 CZ ARG A 52 24.133 -6.260 -18.345 1.00 73.21 C ATOM 823 NH1 ARG A 52 22.950 -6.590 -18.754 1.00 22.34 N ATOM 824 NH2 ARG A 52 24.820 -7.105 -17.645 1.00 43.45 N ATOM 0 H ARG A 52 23.563 -0.389 -22.621 1.00 24.44 H new ATOM 0 HA ARG A 52 25.846 -2.027 -22.541 1.00 13.22 H new ATOM 0 HB2 ARG A 52 24.096 -1.623 -20.729 1.00 51.53 H new ATOM 0 HB3 ARG A 52 23.029 -2.706 -21.600 1.00 51.53 H new ATOM 0 HG2 ARG A 52 24.726 -4.538 -21.356 1.00 33.31 H new ATOM 0 HG3 ARG A 52 25.745 -3.449 -20.434 1.00 33.31 H new ATOM 0 HD2 ARG A 52 23.834 -3.167 -18.784 1.00 4.12 H new ATOM 0 HD3 ARG A 52 22.952 -4.398 -19.666 1.00 4.12 H new ATOM 0 HE ARG A 52 25.595 -4.898 -18.328 1.00 35.01 H new ATOM 0 HH11 ARG A 52 22.405 -5.938 -19.319 1.00 22.34 H new ATOM 0 HH12 ARG A 52 22.563 -7.502 -18.512 1.00 22.34 H new ATOM 0 HH21 ARG A 52 25.759 -6.862 -17.330 1.00 43.45 H new ATOM 0 HH22 ARG A 52 24.422 -8.014 -17.409 1.00 43.45 H new ATOM 838 N LEU A 53 23.410 -3.089 -24.487 1.00 64.23 N ATOM 839 CA LEU A 53 23.046 -4.040 -25.549 1.00 11.33 C ATOM 840 C LEU A 53 23.725 -3.698 -26.891 1.00 13.22 C ATOM 841 O LEU A 53 23.325 -4.212 -27.939 1.00 51.41 O ATOM 842 CB LEU A 53 21.519 -4.047 -25.735 1.00 62.44 C ATOM 843 CG LEU A 53 20.701 -4.508 -24.516 1.00 75.41 C ATOM 844 CD1 LEU A 53 19.204 -4.388 -24.796 1.00 34.23 C ATOM 845 CD2 LEU A 53 21.066 -5.941 -24.127 1.00 74.33 C ATOM 0 H LEU A 53 22.733 -2.337 -24.355 1.00 64.23 H new ATOM 0 HA LEU A 53 23.394 -5.026 -25.242 1.00 11.33 H new ATOM 0 HB2 LEU A 53 21.200 -3.040 -26.004 1.00 62.44 H new ATOM 0 HB3 LEU A 53 21.277 -4.694 -26.578 1.00 62.44 H new ATOM 0 HG LEU A 53 20.945 -3.857 -23.676 1.00 75.41 H new ATOM 0 HD11 LEU A 53 18.643 -4.719 -23.922 1.00 34.23 H new ATOM 0 HD12 LEU A 53 18.957 -3.349 -25.014 1.00 34.23 H new ATOM 0 HD13 LEU A 53 18.943 -5.011 -25.652 1.00 34.23 H new ATOM 0 HD21 LEU A 53 20.475 -6.245 -23.263 1.00 74.33 H new ATOM 0 HD22 LEU A 53 20.857 -6.609 -24.963 1.00 74.33 H new ATOM 0 HD23 LEU A 53 22.126 -5.992 -23.878 1.00 74.33 H new ATOM 857 N ASP A 54 24.737 -2.822 -26.851 1.00 32.41 N ATOM 858 CA ASP A 54 25.476 -2.396 -28.056 1.00 35.21 C ATOM 859 C ASP A 54 24.588 -1.544 -28.995 1.00 23.41 C ATOM 860 O ASP A 54 24.990 -1.174 -30.098 1.00 3.51 O ATOM 861 CB ASP A 54 26.049 -3.625 -28.791 1.00 74.15 C ATOM 862 CG ASP A 54 26.957 -3.254 -29.954 1.00 42.34 C ATOM 863 OD1 ASP A 54 28.049 -2.698 -29.708 1.00 55.21 O ATOM 864 OD2 ASP A 54 26.587 -3.519 -31.119 1.00 72.54 O ATOM 0 H ASP A 54 25.069 -2.388 -25.989 1.00 32.41 H new ATOM 0 HA ASP A 54 26.306 -1.764 -27.741 1.00 35.21 H new ATOM 0 HB2 ASP A 54 26.607 -4.237 -28.083 1.00 74.15 H new ATOM 0 HB3 ASP A 54 25.226 -4.236 -29.161 1.00 74.15 H new ATOM 869 N ARG A 55 23.384 -1.211 -28.539 1.00 53.04 N ATOM 870 CA ARG A 55 22.441 -0.405 -29.324 1.00 44.05 C ATOM 871 C ARG A 55 22.693 1.101 -29.114 1.00 23.11 C ATOM 872 O ARG A 55 21.781 1.855 -28.766 1.00 45.33 O ATOM 873 CB ARG A 55 20.998 -0.763 -28.932 1.00 1.40 C ATOM 874 CG ARG A 55 20.649 -2.239 -29.112 1.00 33.43 C ATOM 875 CD ARG A 55 20.752 -2.674 -30.570 1.00 12.35 C ATOM 876 NE ARG A 55 19.915 -1.852 -31.447 1.00 52.53 N ATOM 877 CZ ARG A 55 19.512 -2.201 -32.639 1.00 65.55 C ATOM 878 NH1 ARG A 55 19.872 -3.327 -33.161 1.00 51.35 N ATOM 879 NH2 ARG A 55 18.750 -1.404 -33.314 1.00 10.34 N ATOM 0 H ARG A 55 23.032 -1.487 -27.622 1.00 53.04 H new ATOM 0 HA ARG A 55 22.592 -0.628 -30.380 1.00 44.05 H new ATOM 0 HB2 ARG A 55 20.837 -0.488 -27.890 1.00 1.40 H new ATOM 0 HB3 ARG A 55 20.311 -0.163 -29.530 1.00 1.40 H new ATOM 0 HG2 ARG A 55 21.318 -2.847 -28.504 1.00 33.43 H new ATOM 0 HG3 ARG A 55 19.637 -2.420 -28.750 1.00 33.43 H new ATOM 0 HD2 ARG A 55 21.790 -2.610 -30.895 1.00 12.35 H new ATOM 0 HD3 ARG A 55 20.454 -3.719 -30.659 1.00 12.35 H new ATOM 0 HE ARG A 55 19.625 -0.938 -31.100 1.00 52.53 H new ATOM 0 HH11 ARG A 55 20.480 -3.959 -32.641 1.00 51.35 H new ATOM 0 HH12 ARG A 55 19.548 -3.584 -34.093 1.00 51.35 H new ATOM 0 HH21 ARG A 55 18.467 -0.509 -32.915 1.00 10.34 H new ATOM 0 HH22 ARG A 55 18.432 -1.670 -34.246 1.00 10.34 H new ATOM 893 N THR A 56 23.937 1.524 -29.346 1.00 51.03 N ATOM 894 CA THR A 56 24.363 2.918 -29.119 1.00 51.03 C ATOM 895 C THR A 56 23.427 3.937 -29.791 1.00 35.25 C ATOM 896 O THR A 56 22.981 4.895 -29.158 1.00 34.42 O ATOM 897 CB THR A 56 25.807 3.149 -29.633 1.00 72.23 C ATOM 898 OG1 THR A 56 26.692 2.182 -29.049 1.00 62.22 O ATOM 899 CG2 THR A 56 26.303 4.556 -29.301 1.00 4.12 C ATOM 0 H THR A 56 24.679 0.918 -29.695 1.00 51.03 H new ATOM 0 HA THR A 56 24.323 3.074 -28.041 1.00 51.03 H new ATOM 0 HB THR A 56 25.796 3.038 -30.717 1.00 72.23 H new ATOM 0 HG1 THR A 56 27.603 2.331 -29.378 1.00 62.22 H new ATOM 0 HG21 THR A 56 27.319 4.682 -29.676 1.00 4.12 H new ATOM 0 HG22 THR A 56 25.649 5.292 -29.769 1.00 4.12 H new ATOM 0 HG23 THR A 56 26.295 4.699 -28.220 1.00 4.12 H new ATOM 907 N ASP A 57 23.126 3.721 -31.071 1.00 65.32 N ATOM 908 CA ASP A 57 22.247 4.625 -31.821 1.00 14.12 C ATOM 909 C ASP A 57 20.833 4.682 -31.212 1.00 54.33 C ATOM 910 O ASP A 57 20.286 5.764 -30.999 1.00 65.24 O ATOM 911 CB ASP A 57 22.174 4.194 -33.289 1.00 44.31 C ATOM 912 CG ASP A 57 21.225 5.062 -34.094 1.00 21.30 C ATOM 913 OD1 ASP A 57 21.629 6.163 -34.518 1.00 23.03 O ATOM 914 OD2 ASP A 57 20.066 4.644 -34.306 1.00 73.44 O ATOM 0 H ASP A 57 23.476 2.930 -31.612 1.00 65.32 H new ATOM 0 HA ASP A 57 22.673 5.626 -31.761 1.00 14.12 H new ATOM 0 HB2 ASP A 57 23.170 4.241 -33.730 1.00 44.31 H new ATOM 0 HB3 ASP A 57 21.850 3.155 -33.345 1.00 44.31 H new ATOM 919 N ASP A 58 20.248 3.514 -30.937 1.00 20.11 N ATOM 920 CA ASP A 58 18.911 3.436 -30.330 1.00 22.50 C ATOM 921 C ASP A 58 18.857 4.217 -29.010 1.00 60.35 C ATOM 922 O ASP A 58 17.860 4.876 -28.702 1.00 15.12 O ATOM 923 CB ASP A 58 18.523 1.975 -30.096 1.00 15.51 C ATOM 924 CG ASP A 58 18.552 1.174 -31.381 1.00 22.31 C ATOM 925 OD1 ASP A 58 19.656 0.926 -31.903 1.00 20.32 O ATOM 926 OD2 ASP A 58 17.478 0.781 -31.878 1.00 41.35 O ATOM 0 H ASP A 58 20.677 2.607 -31.124 1.00 20.11 H new ATOM 0 HA ASP A 58 18.198 3.888 -31.020 1.00 22.50 H new ATOM 0 HB2 ASP A 58 19.206 1.528 -29.374 1.00 15.51 H new ATOM 0 HB3 ASP A 58 17.525 1.929 -29.661 1.00 15.51 H new ATOM 931 N ALA A 59 19.939 4.141 -28.236 1.00 11.44 N ATOM 932 CA ALA A 59 20.072 4.934 -27.014 1.00 54.55 C ATOM 933 C ALA A 59 19.969 6.434 -27.328 1.00 1.42 C ATOM 934 O ALA A 59 19.144 7.145 -26.755 1.00 41.32 O ATOM 935 CB ALA A 59 21.395 4.622 -26.324 1.00 64.30 C ATOM 0 H ALA A 59 20.737 3.538 -28.434 1.00 11.44 H new ATOM 0 HA ALA A 59 19.257 4.670 -26.340 1.00 54.55 H new ATOM 0 HB1 ALA A 59 21.481 5.219 -25.416 1.00 64.30 H new ATOM 0 HB2 ALA A 59 21.431 3.563 -26.067 1.00 64.30 H new ATOM 0 HB3 ALA A 59 22.220 4.861 -26.995 1.00 64.30 H new ATOM 941 N ILE A 60 20.803 6.898 -28.263 1.00 22.41 N ATOM 942 CA ILE A 60 20.787 8.300 -28.711 1.00 64.43 C ATOM 943 C ILE A 60 19.372 8.738 -29.141 1.00 42.55 C ATOM 944 O ILE A 60 18.866 9.776 -28.704 1.00 23.41 O ATOM 945 CB ILE A 60 21.766 8.505 -29.899 1.00 4.33 C ATOM 946 CG1 ILE A 60 23.193 8.083 -29.503 1.00 74.34 C ATOM 947 CG2 ILE A 60 21.746 9.958 -30.379 1.00 62.00 C ATOM 948 CD1 ILE A 60 24.174 8.081 -30.659 1.00 52.34 C ATOM 0 H ILE A 60 21.503 6.321 -28.729 1.00 22.41 H new ATOM 0 HA ILE A 60 21.102 8.913 -27.867 1.00 64.43 H new ATOM 0 HB ILE A 60 21.436 7.873 -30.723 1.00 4.33 H new ATOM 0 HG12 ILE A 60 23.560 8.757 -28.729 1.00 74.34 H new ATOM 0 HG13 ILE A 60 23.159 7.085 -29.066 1.00 74.34 H new ATOM 0 HG21 ILE A 60 22.440 10.076 -31.211 1.00 62.00 H new ATOM 0 HG22 ILE A 60 20.740 10.219 -30.706 1.00 62.00 H new ATOM 0 HG23 ILE A 60 22.044 10.615 -29.562 1.00 62.00 H new ATOM 0 HD11 ILE A 60 25.157 7.773 -30.302 1.00 52.34 H new ATOM 0 HD12 ILE A 60 23.832 7.385 -31.425 1.00 52.34 H new ATOM 0 HD13 ILE A 60 24.239 9.083 -31.082 1.00 52.34 H new ATOM 960 N ASP A 61 18.740 7.927 -29.988 1.00 24.13 N ATOM 961 CA ASP A 61 17.386 8.199 -30.484 1.00 62.20 C ATOM 962 C ASP A 61 16.357 8.245 -29.331 1.00 72.42 C ATOM 963 O ASP A 61 15.379 8.998 -29.382 1.00 52.34 O ATOM 964 CB ASP A 61 17.003 7.129 -31.519 1.00 53.10 C ATOM 965 CG ASP A 61 15.678 7.418 -32.204 1.00 62.40 C ATOM 966 OD1 ASP A 61 15.564 8.477 -32.857 1.00 31.41 O ATOM 967 OD2 ASP A 61 14.746 6.596 -32.086 1.00 54.41 O ATOM 0 H ASP A 61 19.148 7.065 -30.350 1.00 24.13 H new ATOM 0 HA ASP A 61 17.377 9.181 -30.957 1.00 62.20 H new ATOM 0 HB2 ASP A 61 17.788 7.061 -32.272 1.00 53.10 H new ATOM 0 HB3 ASP A 61 16.948 6.158 -31.027 1.00 53.10 H new ATOM 972 N THR A 62 16.592 7.446 -28.289 1.00 52.15 N ATOM 973 CA THR A 62 15.727 7.442 -27.098 1.00 45.04 C ATOM 974 C THR A 62 15.929 8.713 -26.258 1.00 10.12 C ATOM 975 O THR A 62 14.959 9.360 -25.851 1.00 0.40 O ATOM 976 CB THR A 62 15.980 6.194 -26.211 1.00 4.11 C ATOM 977 OG1 THR A 62 15.670 5.000 -26.948 1.00 13.05 O ATOM 978 CG2 THR A 62 15.139 6.233 -24.936 1.00 13.10 C ATOM 0 H THR A 62 17.373 6.792 -28.241 1.00 52.15 H new ATOM 0 HA THR A 62 14.699 7.412 -27.458 1.00 45.04 H new ATOM 0 HB THR A 62 17.033 6.195 -25.928 1.00 4.11 H new ATOM 0 HG1 THR A 62 16.378 4.826 -27.603 1.00 13.05 H new ATOM 0 HG21 THR A 62 15.342 5.344 -24.339 1.00 13.10 H new ATOM 0 HG22 THR A 62 15.393 7.123 -24.360 1.00 13.10 H new ATOM 0 HG23 THR A 62 14.081 6.260 -25.198 1.00 13.10 H new ATOM 986 N TYR A 63 17.192 9.077 -26.014 1.00 40.12 N ATOM 987 CA TYR A 63 17.513 10.301 -25.263 1.00 51.13 C ATOM 988 C TYR A 63 16.899 11.537 -25.938 1.00 34.14 C ATOM 989 O TYR A 63 16.375 12.423 -25.267 1.00 21.35 O ATOM 990 CB TYR A 63 19.035 10.500 -25.139 1.00 4.33 C ATOM 991 CG TYR A 63 19.763 9.394 -24.397 1.00 2.12 C ATOM 992 CD1 TYR A 63 19.356 8.989 -23.131 1.00 24.21 C ATOM 993 CD2 TYR A 63 20.870 8.762 -24.962 1.00 44.34 C ATOM 994 CE1 TYR A 63 20.025 7.987 -22.454 1.00 52.43 C ATOM 995 CE2 TYR A 63 21.542 7.761 -24.291 1.00 24.52 C ATOM 996 CZ TYR A 63 21.117 7.377 -23.040 1.00 12.41 C ATOM 997 OH TYR A 63 21.777 6.372 -22.374 1.00 2.12 O ATOM 0 H TYR A 63 18.007 8.547 -26.323 1.00 40.12 H new ATOM 0 HA TYR A 63 17.088 10.184 -24.266 1.00 51.13 H new ATOM 0 HB2 TYR A 63 19.459 10.587 -26.140 1.00 4.33 H new ATOM 0 HB3 TYR A 63 19.223 11.445 -24.630 1.00 4.33 H new ATOM 0 HD1 TYR A 63 18.504 9.465 -22.669 1.00 24.21 H new ATOM 0 HD2 TYR A 63 21.208 9.062 -25.943 1.00 44.34 H new ATOM 0 HE1 TYR A 63 19.696 7.682 -21.472 1.00 52.43 H new ATOM 0 HE2 TYR A 63 22.397 7.282 -24.745 1.00 24.52 H new ATOM 0 HH TYR A 63 22.691 6.296 -22.719 1.00 2.12 H new ATOM 1007 N ALA A 64 16.963 11.575 -27.270 1.00 65.25 N ATOM 1008 CA ALA A 64 16.462 12.712 -28.054 1.00 3.21 C ATOM 1009 C ALA A 64 14.995 13.056 -27.730 1.00 42.43 C ATOM 1010 O ALA A 64 14.675 14.204 -27.411 1.00 0.00 O ATOM 1011 CB ALA A 64 16.624 12.424 -29.541 1.00 14.50 C ATOM 0 H ALA A 64 17.360 10.825 -27.836 1.00 65.25 H new ATOM 0 HA ALA A 64 17.056 13.584 -27.780 1.00 3.21 H new ATOM 0 HB1 ALA A 64 16.251 13.270 -30.118 1.00 14.50 H new ATOM 0 HB2 ALA A 64 17.678 12.266 -29.768 1.00 14.50 H new ATOM 0 HB3 ALA A 64 16.059 11.529 -29.802 1.00 14.50 H new ATOM 1017 N GLN A 65 14.107 12.063 -27.810 1.00 63.34 N ATOM 1018 CA GLN A 65 12.689 12.279 -27.492 1.00 24.32 C ATOM 1019 C GLN A 65 12.520 12.526 -25.983 1.00 31.25 C ATOM 1020 O GLN A 65 11.693 13.336 -25.556 1.00 44.12 O ATOM 1021 CB GLN A 65 11.843 11.074 -27.957 1.00 55.03 C ATOM 1022 CG GLN A 65 10.347 11.376 -28.123 1.00 54.51 C ATOM 1023 CD GLN A 65 9.573 11.461 -26.810 1.00 33.02 C ATOM 1024 OE1 GLN A 65 9.923 10.630 -25.847 1.00 22.44 O flip ATOM 1025 NE2 GLN A 65 8.633 12.238 -26.678 1.00 33.31 N flip ATOM 0 H GLN A 65 14.339 11.110 -28.089 1.00 63.34 H new ATOM 0 HA GLN A 65 12.335 13.161 -28.025 1.00 24.32 H new ATOM 0 HB2 GLN A 65 12.236 10.715 -28.908 1.00 55.03 H new ATOM 0 HB3 GLN A 65 11.960 10.264 -27.237 1.00 55.03 H new ATOM 0 HG2 GLN A 65 10.236 12.319 -28.658 1.00 54.51 H new ATOM 0 HG3 GLN A 65 9.899 10.602 -28.746 1.00 54.51 H new ATOM 0 HE21 GLN A 65 8.383 12.870 -27.438 1.00 33.31 H new ATOM 0 HE22 GLN A 65 8.101 12.252 -25.808 1.00 33.31 H new ATOM 1034 N GLY A 66 13.331 11.835 -25.179 1.00 25.20 N ATOM 1035 CA GLY A 66 13.333 12.064 -23.740 1.00 60.02 C ATOM 1036 C GLY A 66 13.640 13.514 -23.375 1.00 33.13 C ATOM 1037 O GLY A 66 13.066 14.058 -22.435 1.00 52.22 O ATOM 0 H GLY A 66 13.986 11.121 -25.499 1.00 25.20 H new ATOM 0 HA2 GLY A 66 12.361 11.789 -23.331 1.00 60.02 H new ATOM 0 HA3 GLY A 66 14.071 11.412 -23.273 1.00 60.02 H new ATOM 1041 N ILE A 67 14.548 14.138 -24.129 1.00 1.21 N ATOM 1042 CA ILE A 67 14.896 15.553 -23.942 1.00 71.34 C ATOM 1043 C ILE A 67 13.646 16.438 -23.991 1.00 74.25 C ATOM 1044 O ILE A 67 13.483 17.364 -23.190 1.00 74.55 O ATOM 1045 CB ILE A 67 15.903 16.016 -25.034 1.00 71.34 C ATOM 1046 CG1 ILE A 67 17.282 15.377 -24.796 1.00 14.21 C ATOM 1047 CG2 ILE A 67 16.013 17.540 -25.091 1.00 51.42 C ATOM 1048 CD1 ILE A 67 18.319 15.743 -25.840 1.00 21.34 C ATOM 0 H ILE A 67 15.062 13.682 -24.883 1.00 1.21 H new ATOM 0 HA ILE A 67 15.358 15.653 -22.960 1.00 71.34 H new ATOM 0 HB ILE A 67 15.524 15.681 -26.000 1.00 71.34 H new ATOM 0 HG12 ILE A 67 17.647 15.680 -23.814 1.00 14.21 H new ATOM 0 HG13 ILE A 67 17.170 14.293 -24.774 1.00 14.21 H new ATOM 0 HG21 ILE A 67 16.725 17.825 -25.865 1.00 51.42 H new ATOM 0 HG22 ILE A 67 15.037 17.967 -25.321 1.00 51.42 H new ATOM 0 HG23 ILE A 67 16.355 17.916 -24.127 1.00 51.42 H new ATOM 0 HD11 ILE A 67 19.263 15.254 -25.602 1.00 21.34 H new ATOM 0 HD12 ILE A 67 17.978 15.415 -26.822 1.00 21.34 H new ATOM 0 HD13 ILE A 67 18.462 16.824 -25.847 1.00 21.34 H new ATOM 1060 N GLU A 68 12.755 16.122 -24.925 1.00 33.23 N ATOM 1061 CA GLU A 68 11.520 16.879 -25.116 1.00 70.33 C ATOM 1062 C GLU A 68 10.606 16.783 -23.883 1.00 11.35 C ATOM 1063 O GLU A 68 10.190 17.798 -23.324 1.00 73.15 O ATOM 1064 CB GLU A 68 10.796 16.368 -26.368 1.00 41.44 C ATOM 1065 CG GLU A 68 11.671 16.382 -27.620 1.00 15.52 C ATOM 1066 CD GLU A 68 10.936 15.911 -28.864 1.00 72.20 C ATOM 1067 OE1 GLU A 68 9.987 16.601 -29.294 1.00 42.33 O ATOM 1068 OE2 GLU A 68 11.299 14.851 -29.416 1.00 60.31 O ATOM 0 H GLU A 68 12.866 15.338 -25.568 1.00 33.23 H new ATOM 0 HA GLU A 68 11.774 17.930 -25.250 1.00 70.33 H new ATOM 0 HB2 GLU A 68 10.448 15.351 -26.188 1.00 41.44 H new ATOM 0 HB3 GLU A 68 9.912 16.981 -26.544 1.00 41.44 H new ATOM 0 HG2 GLU A 68 12.043 17.393 -27.785 1.00 15.52 H new ATOM 0 HG3 GLU A 68 12.541 15.746 -27.456 1.00 15.52 H new ATOM 1075 N VAL A 69 10.314 15.560 -23.443 1.00 53.32 N ATOM 1076 CA VAL A 69 9.466 15.354 -22.261 1.00 53.33 C ATOM 1077 C VAL A 69 10.176 15.787 -20.959 1.00 74.30 C ATOM 1078 O VAL A 69 9.527 16.145 -19.977 1.00 50.51 O ATOM 1079 CB VAL A 69 9.001 13.878 -22.137 1.00 62.13 C ATOM 1080 CG1 VAL A 69 8.221 13.450 -23.378 1.00 71.24 C ATOM 1081 CG2 VAL A 69 10.185 12.942 -21.894 1.00 70.11 C ATOM 0 H VAL A 69 10.647 14.701 -23.880 1.00 53.32 H new ATOM 0 HA VAL A 69 8.589 15.985 -22.402 1.00 53.33 H new ATOM 0 HB VAL A 69 8.339 13.810 -21.274 1.00 62.13 H new ATOM 0 HG11 VAL A 69 7.905 12.412 -23.269 1.00 71.24 H new ATOM 0 HG12 VAL A 69 7.344 14.086 -23.494 1.00 71.24 H new ATOM 0 HG13 VAL A 69 8.857 13.545 -24.258 1.00 71.24 H new ATOM 0 HG21 VAL A 69 9.827 11.916 -21.812 1.00 70.11 H new ATOM 0 HG22 VAL A 69 10.884 13.016 -22.727 1.00 70.11 H new ATOM 0 HG23 VAL A 69 10.689 13.225 -20.970 1.00 70.11 H new ATOM 1091 N ALA A 70 11.509 15.764 -20.962 1.00 60.11 N ATOM 1092 CA ALA A 70 12.299 16.174 -19.791 1.00 42.23 C ATOM 1093 C ALA A 70 12.184 17.681 -19.531 1.00 60.32 C ATOM 1094 O ALA A 70 11.858 18.109 -18.428 1.00 5.12 O ATOM 1095 CB ALA A 70 13.763 15.787 -19.979 1.00 10.32 C ATOM 0 H ALA A 70 12.069 15.466 -21.761 1.00 60.11 H new ATOM 0 HA ALA A 70 11.897 15.652 -18.923 1.00 42.23 H new ATOM 0 HB1 ALA A 70 14.336 16.096 -19.105 1.00 10.32 H new ATOM 0 HB2 ALA A 70 13.841 14.707 -20.100 1.00 10.32 H new ATOM 0 HB3 ALA A 70 14.159 16.281 -20.866 1.00 10.32 H new ATOM 1101 N ARG A 71 12.440 18.478 -20.561 1.00 73.22 N ATOM 1102 CA ARG A 71 12.395 19.942 -20.440 1.00 12.44 C ATOM 1103 C ARG A 71 10.964 20.466 -20.215 1.00 32.11 C ATOM 1104 O ARG A 71 10.770 21.523 -19.610 1.00 14.11 O ATOM 1105 CB ARG A 71 12.998 20.583 -21.695 1.00 34.43 C ATOM 1106 CG ARG A 71 12.268 20.223 -22.988 1.00 70.33 C ATOM 1107 CD ARG A 71 13.014 20.725 -24.218 1.00 43.25 C ATOM 1108 NE ARG A 71 13.245 22.166 -24.170 1.00 63.40 N ATOM 1109 CZ ARG A 71 14.320 22.752 -24.621 1.00 71.10 C ATOM 1110 NH1 ARG A 71 15.273 22.058 -25.159 1.00 65.32 N ATOM 1111 NH2 ARG A 71 14.439 24.033 -24.534 1.00 72.33 N ATOM 0 H ARG A 71 12.682 18.141 -21.493 1.00 73.22 H new ATOM 0 HA ARG A 71 12.981 20.218 -19.563 1.00 12.44 H new ATOM 0 HB2 ARG A 71 12.992 21.666 -21.576 1.00 34.43 H new ATOM 0 HB3 ARG A 71 14.041 20.278 -21.781 1.00 34.43 H new ATOM 0 HG2 ARG A 71 12.151 19.141 -23.050 1.00 70.33 H new ATOM 0 HG3 ARG A 71 11.266 20.651 -22.971 1.00 70.33 H new ATOM 0 HD2 ARG A 71 13.970 20.207 -24.298 1.00 43.25 H new ATOM 0 HD3 ARG A 71 12.443 20.479 -25.113 1.00 43.25 H new ATOM 0 HE ARG A 71 12.519 22.752 -23.757 1.00 63.40 H new ATOM 0 HH11 ARG A 71 15.187 21.044 -25.233 1.00 65.32 H new ATOM 0 HH12 ARG A 71 16.109 22.525 -25.509 1.00 65.32 H new ATOM 0 HH21 ARG A 71 13.693 24.587 -24.113 1.00 72.33 H new ATOM 0 HH22 ARG A 71 15.279 24.492 -24.886 1.00 72.33 H new ATOM 1125 N GLU A 72 9.971 19.728 -20.706 1.00 53.03 N ATOM 1126 CA GLU A 72 8.565 20.132 -20.572 1.00 74.03 C ATOM 1127 C GLU A 72 7.943 19.646 -19.254 1.00 33.12 C ATOM 1128 O GLU A 72 7.350 20.428 -18.509 1.00 50.34 O ATOM 1129 CB GLU A 72 7.748 19.593 -21.756 1.00 55.12 C ATOM 1130 CG GLU A 72 8.150 20.180 -23.105 1.00 12.20 C ATOM 1131 CD GLU A 72 7.765 21.645 -23.252 1.00 22.54 C ATOM 1132 OE1 GLU A 72 8.444 22.510 -22.663 1.00 4.30 O ATOM 1133 OE2 GLU A 72 6.776 21.935 -23.958 1.00 25.22 O ATOM 0 H GLU A 72 10.109 18.847 -21.201 1.00 53.03 H new ATOM 0 HA GLU A 72 8.541 21.222 -20.567 1.00 74.03 H new ATOM 0 HB2 GLU A 72 7.857 18.509 -21.796 1.00 55.12 H new ATOM 0 HB3 GLU A 72 6.693 19.801 -21.581 1.00 55.12 H new ATOM 0 HG2 GLU A 72 9.228 20.078 -23.233 1.00 12.20 H new ATOM 0 HG3 GLU A 72 7.678 19.604 -23.901 1.00 12.20 H new ATOM 1140 N GLU A 73 8.082 18.353 -18.974 1.00 71.42 N ATOM 1141 CA GLU A 73 7.420 17.731 -17.822 1.00 1.53 C ATOM 1142 C GLU A 73 8.360 17.621 -16.609 1.00 0.31 C ATOM 1143 O GLU A 73 7.985 17.983 -15.492 1.00 42.14 O ATOM 1144 CB GLU A 73 6.896 16.348 -18.226 1.00 32.30 C ATOM 1145 CG GLU A 73 6.039 16.365 -19.494 1.00 52.31 C ATOM 1146 CD GLU A 73 4.706 17.085 -19.320 1.00 51.41 C ATOM 1147 OE1 GLU A 73 4.684 18.337 -19.324 1.00 34.11 O ATOM 1148 OE2 GLU A 73 3.670 16.401 -19.185 1.00 75.22 O ATOM 0 H GLU A 73 8.648 17.711 -19.529 1.00 71.42 H new ATOM 0 HA GLU A 73 6.587 18.366 -17.521 1.00 1.53 H new ATOM 0 HB2 GLU A 73 7.742 15.678 -18.378 1.00 32.30 H new ATOM 0 HB3 GLU A 73 6.308 15.937 -17.405 1.00 32.30 H new ATOM 0 HG2 GLU A 73 6.600 16.846 -20.295 1.00 52.31 H new ATOM 0 HG3 GLU A 73 5.850 15.339 -19.808 1.00 52.31 H new ATOM 1155 N GLY A 74 9.575 17.119 -16.829 1.00 13.31 N ATOM 1156 CA GLY A 74 10.561 17.028 -15.751 1.00 64.00 C ATOM 1157 C GLY A 74 11.183 18.382 -15.400 1.00 65.13 C ATOM 1158 O GLY A 74 10.523 19.419 -15.492 1.00 64.35 O ATOM 0 H GLY A 74 9.898 16.773 -17.732 1.00 13.31 H new ATOM 0 HA2 GLY A 74 10.085 16.611 -14.864 1.00 64.00 H new ATOM 0 HA3 GLY A 74 11.350 16.336 -16.044 1.00 64.00 H new ATOM 1162 N THR A 75 12.451 18.384 -14.996 1.00 45.21 N ATOM 1163 CA THR A 75 13.159 19.638 -14.681 1.00 0.14 C ATOM 1164 C THR A 75 14.349 19.874 -15.621 1.00 31.30 C ATOM 1165 O THR A 75 14.770 18.975 -16.355 1.00 33.30 O ATOM 1166 CB THR A 75 13.657 19.674 -13.213 1.00 53.30 C ATOM 1167 OG1 THR A 75 14.372 20.895 -12.966 1.00 22.10 O ATOM 1168 CG2 THR A 75 14.560 18.486 -12.896 1.00 64.51 C ATOM 0 H THR A 75 13.013 17.541 -14.877 1.00 45.21 H new ATOM 0 HA THR A 75 12.430 20.435 -14.824 1.00 0.14 H new ATOM 0 HB THR A 75 12.781 19.619 -12.567 1.00 53.30 H new ATOM 0 HG1 THR A 75 14.682 20.910 -12.036 1.00 22.10 H new ATOM 0 HG21 THR A 75 14.889 18.546 -11.859 1.00 64.51 H new ATOM 0 HG22 THR A 75 14.008 17.559 -13.049 1.00 64.51 H new ATOM 0 HG23 THR A 75 15.429 18.504 -13.554 1.00 64.51 H new ATOM 1176 N GLN A 76 14.900 21.089 -15.588 1.00 3.53 N ATOM 1177 CA GLN A 76 16.036 21.450 -16.444 1.00 74.34 C ATOM 1178 C GLN A 76 17.234 20.508 -16.218 1.00 44.13 C ATOM 1179 O GLN A 76 18.037 20.282 -17.128 1.00 52.30 O ATOM 1180 CB GLN A 76 16.441 22.914 -16.201 1.00 13.41 C ATOM 1181 CG GLN A 76 17.635 23.377 -17.033 1.00 4.34 C ATOM 1182 CD GLN A 76 17.872 24.875 -16.941 1.00 71.24 C ATOM 1183 OE1 GLN A 76 18.579 25.357 -16.060 1.00 14.40 O ATOM 1184 NE2 GLN A 76 17.289 25.624 -17.854 1.00 12.12 N ATOM 0 H GLN A 76 14.579 21.841 -14.978 1.00 3.53 H new ATOM 0 HA GLN A 76 15.724 21.340 -17.483 1.00 74.34 H new ATOM 0 HB2 GLN A 76 15.588 23.557 -16.420 1.00 13.41 H new ATOM 0 HB3 GLN A 76 16.676 23.044 -15.145 1.00 13.41 H new ATOM 0 HG2 GLN A 76 18.530 22.851 -16.700 1.00 4.34 H new ATOM 0 HG3 GLN A 76 17.474 23.103 -18.076 1.00 4.34 H new ATOM 0 HE21 GLN A 76 16.708 25.192 -18.573 1.00 12.12 H new ATOM 0 HE22 GLN A 76 17.419 26.636 -17.843 1.00 12.12 H new ATOM 1193 N LYS A 77 17.347 19.954 -15.009 1.00 44.53 N ATOM 1194 CA LYS A 77 18.376 18.948 -14.724 1.00 11.15 C ATOM 1195 C LYS A 77 18.228 17.741 -15.660 1.00 13.22 C ATOM 1196 O LYS A 77 19.187 17.332 -16.311 1.00 61.02 O ATOM 1197 CB LYS A 77 18.290 18.474 -13.267 1.00 35.15 C ATOM 1198 CG LYS A 77 19.346 17.434 -12.897 1.00 50.21 C ATOM 1199 CD LYS A 77 19.128 16.868 -11.496 1.00 41.33 C ATOM 1200 CE LYS A 77 20.150 15.787 -11.161 1.00 31.13 C ATOM 1201 NZ LYS A 77 20.157 14.694 -12.173 1.00 55.22 N ATOM 0 H LYS A 77 16.745 20.181 -14.217 1.00 44.53 H new ATOM 0 HA LYS A 77 19.347 19.414 -14.889 1.00 11.15 H new ATOM 0 HB2 LYS A 77 18.394 19.335 -12.607 1.00 35.15 H new ATOM 0 HB3 LYS A 77 17.300 18.053 -13.089 1.00 35.15 H new ATOM 0 HG2 LYS A 77 19.324 16.621 -13.623 1.00 50.21 H new ATOM 0 HG3 LYS A 77 20.336 17.887 -12.955 1.00 50.21 H new ATOM 0 HD2 LYS A 77 19.195 17.672 -10.764 1.00 41.33 H new ATOM 0 HD3 LYS A 77 18.122 16.454 -11.423 1.00 41.33 H new ATOM 0 HE2 LYS A 77 21.143 16.233 -11.102 1.00 31.13 H new ATOM 0 HE3 LYS A 77 19.928 15.370 -10.179 1.00 31.13 H new ATOM 0 HZ1 LYS A 77 20.314 13.782 -11.698 1.00 55.22 H new ATOM 0 HZ2 LYS A 77 19.243 14.674 -12.668 1.00 55.22 H new ATOM 0 HZ3 LYS A 77 20.919 14.862 -12.860 1.00 55.22 H new ATOM 1215 N ASP A 78 17.008 17.201 -15.742 1.00 31.10 N ATOM 1216 CA ASP A 78 16.716 16.055 -16.611 1.00 64.13 C ATOM 1217 C ASP A 78 17.046 16.374 -18.073 1.00 72.21 C ATOM 1218 O ASP A 78 17.605 15.545 -18.795 1.00 32.33 O ATOM 1219 CB ASP A 78 15.245 15.663 -16.489 1.00 11.52 C ATOM 1220 CG ASP A 78 14.879 15.215 -15.088 1.00 42.55 C ATOM 1221 OD1 ASP A 78 15.509 14.260 -14.578 1.00 61.52 O ATOM 1222 OD2 ASP A 78 13.969 15.821 -14.487 1.00 71.40 O ATOM 0 H ASP A 78 16.203 17.540 -15.215 1.00 31.10 H new ATOM 0 HA ASP A 78 17.341 15.221 -16.290 1.00 64.13 H new ATOM 0 HB2 ASP A 78 14.621 16.512 -16.770 1.00 11.52 H new ATOM 0 HB3 ASP A 78 15.027 14.860 -17.193 1.00 11.52 H new ATOM 1227 N LEU A 79 16.694 17.586 -18.493 1.00 71.04 N ATOM 1228 CA LEU A 79 17.060 18.089 -19.816 1.00 20.33 C ATOM 1229 C LEU A 79 18.577 17.950 -20.046 1.00 51.25 C ATOM 1230 O LEU A 79 19.018 17.379 -21.044 1.00 63.40 O ATOM 1231 CB LEU A 79 16.623 19.561 -19.938 1.00 72.22 C ATOM 1232 CG LEU A 79 17.123 20.314 -21.182 1.00 20.11 C ATOM 1233 CD1 LEU A 79 16.571 19.687 -22.456 1.00 11.13 C ATOM 1234 CD2 LEU A 79 16.757 21.796 -21.102 1.00 55.40 C ATOM 0 H LEU A 79 16.152 18.243 -17.932 1.00 71.04 H new ATOM 0 HA LEU A 79 16.551 17.501 -20.580 1.00 20.33 H new ATOM 0 HB2 LEU A 79 15.534 19.597 -19.930 1.00 72.22 H new ATOM 0 HB3 LEU A 79 16.966 20.095 -19.052 1.00 72.22 H new ATOM 0 HG LEU A 79 18.210 20.234 -21.211 1.00 20.11 H new ATOM 0 HD11 LEU A 79 16.939 20.238 -23.322 1.00 11.13 H new ATOM 0 HD12 LEU A 79 16.896 18.649 -22.521 1.00 11.13 H new ATOM 0 HD13 LEU A 79 15.482 19.725 -22.438 1.00 11.13 H new ATOM 0 HD21 LEU A 79 17.121 22.309 -21.992 1.00 55.40 H new ATOM 0 HD22 LEU A 79 15.674 21.900 -21.040 1.00 55.40 H new ATOM 0 HD23 LEU A 79 17.215 22.237 -20.217 1.00 55.40 H new ATOM 1246 N SER A 80 19.365 18.441 -19.091 1.00 52.12 N ATOM 1247 CA SER A 80 20.831 18.378 -19.185 1.00 55.33 C ATOM 1248 C SER A 80 21.348 16.928 -19.153 1.00 15.31 C ATOM 1249 O SER A 80 22.281 16.580 -19.878 1.00 33.41 O ATOM 1250 CB SER A 80 21.479 19.186 -18.053 1.00 43.00 C ATOM 1251 OG SER A 80 22.894 19.200 -18.180 1.00 22.14 O ATOM 0 H SER A 80 19.018 18.887 -18.242 1.00 52.12 H new ATOM 0 HA SER A 80 21.110 18.812 -20.145 1.00 55.33 H new ATOM 0 HB2 SER A 80 21.099 20.208 -18.068 1.00 43.00 H new ATOM 0 HB3 SER A 80 21.201 18.757 -17.090 1.00 43.00 H new ATOM 0 HG SER A 80 23.283 19.722 -17.448 1.00 22.14 H new ATOM 1257 N GLU A 81 20.726 16.084 -18.322 1.00 51.04 N ATOM 1258 CA GLU A 81 21.110 14.665 -18.210 1.00 52.32 C ATOM 1259 C GLU A 81 21.046 13.963 -19.575 1.00 71.15 C ATOM 1260 O GLU A 81 22.004 13.319 -20.008 1.00 13.11 O ATOM 1261 CB GLU A 81 20.173 13.917 -17.240 1.00 1.54 C ATOM 1262 CG GLU A 81 20.139 14.458 -15.813 1.00 23.41 C ATOM 1263 CD GLU A 81 21.466 14.336 -15.083 1.00 2.55 C ATOM 1264 OE1 GLU A 81 22.099 13.262 -15.155 1.00 41.13 O ATOM 1265 OE2 GLU A 81 21.859 15.302 -14.396 1.00 72.43 O ATOM 0 H GLU A 81 19.953 16.356 -17.715 1.00 51.04 H new ATOM 0 HA GLU A 81 22.132 14.642 -17.833 1.00 52.32 H new ATOM 0 HB2 GLU A 81 19.161 13.945 -17.645 1.00 1.54 H new ATOM 0 HB3 GLU A 81 20.474 12.870 -17.206 1.00 1.54 H new ATOM 0 HG2 GLU A 81 19.843 15.507 -15.838 1.00 23.41 H new ATOM 0 HG3 GLU A 81 19.374 13.924 -15.249 1.00 23.41 H new ATOM 1272 N LEU A 82 19.903 14.095 -20.241 1.00 74.23 N ATOM 1273 CA LEU A 82 19.659 13.422 -21.519 1.00 63.21 C ATOM 1274 C LEU A 82 20.446 14.065 -22.676 1.00 53.34 C ATOM 1275 O LEU A 82 20.907 13.364 -23.580 1.00 72.12 O ATOM 1276 CB LEU A 82 18.155 13.410 -21.811 1.00 51.35 C ATOM 1277 CG LEU A 82 17.309 12.661 -20.763 1.00 23.42 C ATOM 1278 CD1 LEU A 82 15.824 12.819 -21.045 1.00 2.14 C ATOM 1279 CD2 LEU A 82 17.690 11.183 -20.716 1.00 14.30 C ATOM 0 H LEU A 82 19.123 14.666 -19.916 1.00 74.23 H new ATOM 0 HA LEU A 82 20.018 12.396 -21.437 1.00 63.21 H new ATOM 0 HB2 LEU A 82 17.802 14.439 -21.877 1.00 51.35 H new ATOM 0 HB3 LEU A 82 17.990 12.953 -22.787 1.00 51.35 H new ATOM 0 HG LEU A 82 17.518 13.102 -19.788 1.00 23.42 H new ATOM 0 HD11 LEU A 82 15.251 12.280 -20.290 1.00 2.14 H new ATOM 0 HD12 LEU A 82 15.559 13.876 -21.016 1.00 2.14 H new ATOM 0 HD13 LEU A 82 15.596 12.414 -22.031 1.00 2.14 H new ATOM 0 HD21 LEU A 82 17.080 10.674 -19.970 1.00 14.30 H new ATOM 0 HD22 LEU A 82 17.519 10.732 -21.693 1.00 14.30 H new ATOM 0 HD23 LEU A 82 18.743 11.087 -20.451 1.00 14.30 H new ATOM 1291 N GLN A 83 20.602 15.393 -22.647 1.00 2.51 N ATOM 1292 CA GLN A 83 21.459 16.085 -23.625 1.00 54.41 C ATOM 1293 C GLN A 83 22.896 15.552 -23.553 1.00 42.45 C ATOM 1294 O GLN A 83 23.496 15.203 -24.573 1.00 43.12 O ATOM 1295 CB GLN A 83 21.459 17.605 -23.390 1.00 60.33 C ATOM 1296 CG GLN A 83 20.121 18.284 -23.676 1.00 34.01 C ATOM 1297 CD GLN A 83 20.142 19.786 -23.422 1.00 74.23 C ATOM 1298 OE1 GLN A 83 20.956 20.228 -22.480 1.00 22.25 O flip ATOM 1299 NE2 GLN A 83 19.426 20.547 -24.066 1.00 12.12 N flip ATOM 0 H GLN A 83 20.153 16.007 -21.967 1.00 2.51 H new ATOM 0 HA GLN A 83 21.052 15.889 -24.617 1.00 54.41 H new ATOM 0 HB2 GLN A 83 21.739 17.801 -22.355 1.00 60.33 H new ATOM 0 HB3 GLN A 83 22.225 18.058 -24.019 1.00 60.33 H new ATOM 0 HG2 GLN A 83 19.843 18.102 -24.714 1.00 34.01 H new ATOM 0 HG3 GLN A 83 19.350 17.828 -23.055 1.00 34.01 H new ATOM 0 HE21 GLN A 83 18.807 20.177 -24.788 1.00 12.12 H new ATOM 0 HE22 GLN A 83 19.450 21.550 -23.880 1.00 12.12 H new ATOM 1308 N ASP A 84 23.434 15.490 -22.336 1.00 55.13 N ATOM 1309 CA ASP A 84 24.769 14.936 -22.095 1.00 71.23 C ATOM 1310 C ASP A 84 24.841 13.457 -22.508 1.00 63.13 C ATOM 1311 O ASP A 84 25.788 13.032 -23.176 1.00 70.42 O ATOM 1312 CB ASP A 84 25.126 15.089 -20.610 1.00 21.23 C ATOM 1313 CG ASP A 84 26.437 14.413 -20.245 1.00 73.20 C ATOM 1314 OD1 ASP A 84 27.511 14.993 -20.516 1.00 42.13 O ATOM 1315 OD2 ASP A 84 26.398 13.296 -19.684 1.00 34.44 O ATOM 0 H ASP A 84 22.962 15.819 -21.494 1.00 55.13 H new ATOM 0 HA ASP A 84 25.487 15.487 -22.703 1.00 71.23 H new ATOM 0 HB2 ASP A 84 25.189 16.149 -20.364 1.00 21.23 H new ATOM 0 HB3 ASP A 84 24.324 14.668 -20.003 1.00 21.23 H new ATOM 1320 N ALA A 85 23.823 12.688 -22.118 1.00 53.12 N ATOM 1321 CA ALA A 85 23.779 11.245 -22.387 1.00 43.14 C ATOM 1322 C ALA A 85 23.957 10.918 -23.880 1.00 42.22 C ATOM 1323 O ALA A 85 24.789 10.086 -24.244 1.00 60.14 O ATOM 1324 CB ALA A 85 22.472 10.659 -21.866 1.00 32.32 C ATOM 0 H ALA A 85 23.011 13.041 -21.611 1.00 53.12 H new ATOM 0 HA ALA A 85 24.619 10.790 -21.862 1.00 43.14 H new ATOM 0 HB1 ALA A 85 22.447 9.588 -22.069 1.00 32.32 H new ATOM 0 HB2 ALA A 85 22.401 10.826 -20.791 1.00 32.32 H new ATOM 0 HB3 ALA A 85 21.632 11.143 -22.365 1.00 32.32 H new ATOM 1330 N LYS A 86 23.181 11.571 -24.747 1.00 71.32 N ATOM 1331 CA LYS A 86 23.311 11.345 -26.192 1.00 51.25 C ATOM 1332 C LYS A 86 24.580 12.008 -26.746 1.00 21.24 C ATOM 1333 O LYS A 86 25.228 11.468 -27.639 1.00 71.31 O ATOM 1334 CB LYS A 86 22.074 11.848 -26.956 1.00 43.32 C ATOM 1335 CG LYS A 86 21.864 13.361 -26.910 1.00 11.05 C ATOM 1336 CD LYS A 86 20.657 13.792 -27.745 1.00 31.02 C ATOM 1337 CE LYS A 86 20.858 13.531 -29.240 1.00 4.14 C ATOM 1338 NZ LYS A 86 21.943 14.369 -29.823 1.00 10.15 N ATOM 0 H LYS A 86 22.467 12.250 -24.483 1.00 71.32 H new ATOM 0 HA LYS A 86 23.389 10.268 -26.341 1.00 51.25 H new ATOM 0 HB2 LYS A 86 22.157 11.538 -27.998 1.00 43.32 H new ATOM 0 HB3 LYS A 86 21.189 11.360 -26.548 1.00 43.32 H new ATOM 0 HG2 LYS A 86 21.723 13.677 -25.876 1.00 11.05 H new ATOM 0 HG3 LYS A 86 22.759 13.864 -27.278 1.00 11.05 H new ATOM 0 HD2 LYS A 86 19.771 13.257 -27.402 1.00 31.02 H new ATOM 0 HD3 LYS A 86 20.470 14.854 -27.586 1.00 31.02 H new ATOM 0 HE2 LYS A 86 21.094 12.478 -29.393 1.00 4.14 H new ATOM 0 HE3 LYS A 86 19.926 13.729 -29.769 1.00 4.14 H new ATOM 0 HZ1 LYS A 86 21.701 14.617 -30.804 1.00 10.15 H new ATOM 0 HZ2 LYS A 86 22.049 15.238 -29.262 1.00 10.15 H new ATOM 0 HZ3 LYS A 86 22.837 13.837 -29.811 1.00 10.15 H new ATOM 1352 N LEU A 87 24.936 13.169 -26.193 1.00 23.35 N ATOM 1353 CA LEU A 87 26.120 13.918 -26.635 1.00 2.45 C ATOM 1354 C LEU A 87 27.389 13.055 -26.574 1.00 42.41 C ATOM 1355 O LEU A 87 28.121 12.934 -27.559 1.00 30.20 O ATOM 1356 CB LEU A 87 26.296 15.172 -25.768 1.00 31.43 C ATOM 1357 CG LEU A 87 27.484 16.074 -26.133 1.00 65.30 C ATOM 1358 CD1 LEU A 87 27.339 16.617 -27.555 1.00 72.31 C ATOM 1359 CD2 LEU A 87 27.616 17.211 -25.123 1.00 32.23 C ATOM 0 H LEU A 87 24.420 13.615 -25.434 1.00 23.35 H new ATOM 0 HA LEU A 87 25.965 14.210 -27.674 1.00 2.45 H new ATOM 0 HB2 LEU A 87 25.383 15.764 -25.828 1.00 31.43 H new ATOM 0 HB3 LEU A 87 26.406 14.860 -24.729 1.00 31.43 H new ATOM 0 HG LEU A 87 28.395 15.477 -26.097 1.00 65.30 H new ATOM 0 HD11 LEU A 87 28.192 17.253 -27.790 1.00 72.31 H new ATOM 0 HD12 LEU A 87 27.300 15.786 -28.260 1.00 72.31 H new ATOM 0 HD13 LEU A 87 26.421 17.199 -27.630 1.00 72.31 H new ATOM 0 HD21 LEU A 87 28.462 17.842 -25.394 1.00 32.23 H new ATOM 0 HD22 LEU A 87 26.703 17.807 -25.125 1.00 32.23 H new ATOM 0 HD23 LEU A 87 27.777 16.797 -24.128 1.00 32.23 H new ATOM 1371 N LYS A 88 27.642 12.451 -25.415 1.00 52.25 N ATOM 1372 CA LYS A 88 28.807 11.575 -25.248 1.00 1.41 C ATOM 1373 C LYS A 88 28.650 10.276 -26.058 1.00 72.43 C ATOM 1374 O LYS A 88 29.631 9.719 -26.548 1.00 12.04 O ATOM 1375 CB LYS A 88 29.056 11.285 -23.753 1.00 23.30 C ATOM 1376 CG LYS A 88 27.896 10.609 -23.014 1.00 1.24 C ATOM 1377 CD LYS A 88 27.924 9.085 -23.148 1.00 20.33 C ATOM 1378 CE LYS A 88 26.772 8.425 -22.398 1.00 44.54 C ATOM 1379 NZ LYS A 88 26.838 6.944 -22.481 1.00 25.52 N ATOM 0 H LYS A 88 27.063 12.549 -24.581 1.00 52.25 H new ATOM 0 HA LYS A 88 29.682 12.093 -25.640 1.00 1.41 H new ATOM 0 HB2 LYS A 88 29.939 10.652 -23.665 1.00 23.30 H new ATOM 0 HB3 LYS A 88 29.286 12.225 -23.251 1.00 23.30 H new ATOM 0 HG2 LYS A 88 27.936 10.878 -21.959 1.00 1.24 H new ATOM 0 HG3 LYS A 88 26.951 10.987 -23.404 1.00 1.24 H new ATOM 0 HD2 LYS A 88 27.874 8.813 -24.202 1.00 20.33 H new ATOM 0 HD3 LYS A 88 28.871 8.705 -22.765 1.00 20.33 H new ATOM 0 HE2 LYS A 88 26.795 8.732 -21.352 1.00 44.54 H new ATOM 0 HE3 LYS A 88 25.824 8.771 -22.811 1.00 44.54 H new ATOM 0 HZ1 LYS A 88 26.058 6.530 -21.931 1.00 25.52 H new ATOM 0 HZ2 LYS A 88 26.756 6.648 -23.475 1.00 25.52 H new ATOM 0 HZ3 LYS A 88 27.746 6.615 -22.095 1.00 25.52 H new ATOM 1393 N ALA A 89 27.407 9.811 -26.214 1.00 10.32 N ATOM 1394 CA ALA A 89 27.123 8.602 -26.998 1.00 22.13 C ATOM 1395 C ALA A 89 27.484 8.797 -28.480 1.00 10.13 C ATOM 1396 O ALA A 89 28.070 7.917 -29.112 1.00 1.52 O ATOM 1397 CB ALA A 89 25.659 8.205 -26.847 1.00 52.21 C ATOM 0 H ALA A 89 26.581 10.252 -25.809 1.00 10.32 H new ATOM 0 HA ALA A 89 27.746 7.795 -26.611 1.00 22.13 H new ATOM 0 HB1 ALA A 89 25.463 7.307 -27.434 1.00 52.21 H new ATOM 0 HB2 ALA A 89 25.442 8.007 -25.797 1.00 52.21 H new ATOM 0 HB3 ALA A 89 25.024 9.016 -27.202 1.00 52.21 H new ATOM 1403 N GLU A 90 27.149 9.967 -29.024 1.00 34.03 N ATOM 1404 CA GLU A 90 27.493 10.309 -30.409 1.00 40.24 C ATOM 1405 C GLU A 90 29.015 10.428 -30.593 1.00 65.41 C ATOM 1406 O GLU A 90 29.519 10.397 -31.717 1.00 21.43 O ATOM 1407 CB GLU A 90 26.811 11.624 -30.819 1.00 0.53 C ATOM 1408 CG GLU A 90 25.288 11.566 -30.782 1.00 4.35 C ATOM 1409 CD GLU A 90 24.636 12.867 -31.222 1.00 21.41 C ATOM 1410 OE1 GLU A 90 24.423 13.754 -30.367 1.00 13.34 O ATOM 1411 OE2 GLU A 90 24.336 13.005 -32.426 1.00 63.13 O ATOM 0 H GLU A 90 26.639 10.697 -28.527 1.00 34.03 H new ATOM 0 HA GLU A 90 27.134 9.504 -31.050 1.00 40.24 H new ATOM 0 HB2 GLU A 90 27.151 12.420 -30.157 1.00 0.53 H new ATOM 0 HB3 GLU A 90 27.131 11.889 -31.827 1.00 0.53 H new ATOM 0 HG2 GLU A 90 24.944 10.757 -31.427 1.00 4.35 H new ATOM 0 HG3 GLU A 90 24.963 11.327 -29.769 1.00 4.35 H new ATOM 1418 N GLY A 91 29.736 10.564 -29.478 1.00 1.51 N ATOM 1419 CA GLY A 91 31.193 10.653 -29.516 1.00 51.12 C ATOM 1420 C GLY A 91 31.887 9.332 -29.175 1.00 73.51 C ATOM 1421 O GLY A 91 33.116 9.283 -29.060 1.00 51.54 O ATOM 0 H GLY A 91 29.334 10.615 -28.542 1.00 1.51 H new ATOM 0 HA2 GLY A 91 31.505 10.974 -30.510 1.00 51.12 H new ATOM 0 HA3 GLY A 91 31.522 11.420 -28.815 1.00 51.12 H new ATOM 1425 N LEU A 92 31.108 8.261 -28.999 1.00 12.41 N ATOM 1426 CA LEU A 92 31.672 6.936 -28.702 1.00 12.01 C ATOM 1427 C LEU A 92 32.246 6.274 -29.963 1.00 23.21 C ATOM 1428 O LEU A 92 33.417 5.890 -29.996 1.00 60.31 O ATOM 1429 CB LEU A 92 30.610 6.020 -28.069 1.00 33.53 C ATOM 1430 CG LEU A 92 30.088 6.464 -26.692 1.00 24.03 C ATOM 1431 CD1 LEU A 92 29.049 5.476 -26.161 1.00 61.30 C ATOM 1432 CD2 LEU A 92 31.242 6.623 -25.703 1.00 31.10 C ATOM 0 H LEU A 92 30.090 8.282 -29.056 1.00 12.41 H new ATOM 0 HA LEU A 92 32.485 7.082 -27.991 1.00 12.01 H new ATOM 0 HB2 LEU A 92 29.764 5.947 -28.753 1.00 33.53 H new ATOM 0 HB3 LEU A 92 31.030 5.019 -27.973 1.00 33.53 H new ATOM 0 HG LEU A 92 29.604 7.434 -26.808 1.00 24.03 H new ATOM 0 HD11 LEU A 92 28.694 5.810 -25.186 1.00 61.30 H new ATOM 0 HD12 LEU A 92 28.210 5.423 -26.854 1.00 61.30 H new ATOM 0 HD13 LEU A 92 29.502 4.489 -26.063 1.00 61.30 H new ATOM 0 HD21 LEU A 92 30.851 6.938 -24.735 1.00 31.10 H new ATOM 0 HD22 LEU A 92 31.761 5.671 -25.593 1.00 31.10 H new ATOM 0 HD23 LEU A 92 31.939 7.374 -26.075 1.00 31.10 H new