USER MOD reduce.3.24.130724 H: found=0, std=0, add=627, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 624 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 35 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 41 MET CE :methyl 169:sc= -0.797 (180deg=-1.15) USER MOD Set 2.1: A 27 MET CE :methyl -164:sc= 0 (180deg=-0.474) USER MOD Set 2.2: A 38 SER OG : rot -86:sc= 0.956 USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 GLN : amide:sc= -0.127 X(o=-0.13,f=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.0919 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.0273 USER MOD Single : A 17 GLN : amide:sc= -1.88! C(o=-1.9!,f=-3.5!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -0.269 X(o=-0.27,f=-0.27) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 HIS : no HD1:sc= -0.113 K(o=-0.11,f=-0.7) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= -0.24 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 91:sc= 0.845 USER MOD Single : A 44 HIS : no HD1:sc= 0 X(o=0,f=-0.01) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 130:sc= -0.159 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 65 HIS : no HD1:sc= -0.0976 X(o=-0.098,f=0) USER MOD Single : A 70 HIS : no HD1:sc=-0.00572 X(o=-0.0057,f=-0.0057) USER MOD Single : A 71 ASN : amide:sc= -0.603 X(o=-0.6,f=-0.53) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 18:sc= 0.932 USER MOD Single : A 75 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 2 -4.144 -9.456 -7.471 1.00 61.23 N ATOM 2 CA GLY A 2 -4.077 -9.757 -6.053 1.00 71.43 C ATOM 3 C GLY A 2 -2.730 -9.412 -5.450 1.00 13.31 C ATOM 4 O GLY A 2 -1.974 -8.622 -6.015 1.00 21.23 O ATOM 0 HA2 GLY A 2 -4.858 -9.205 -5.530 1.00 71.43 H new ATOM 0 HA3 GLY A 2 -4.279 -10.817 -5.900 1.00 71.43 H new ATOM 8 N ALA A 3 -2.430 -10.003 -4.298 1.00 54.10 N ATOM 9 CA ALA A 3 -1.166 -9.753 -3.618 1.00 24.32 C ATOM 10 C ALA A 3 -0.946 -8.260 -3.398 1.00 20.44 C ATOM 11 O ALA A 3 -1.844 -7.451 -3.626 1.00 74.13 O ATOM 12 CB ALA A 3 -0.012 -10.347 -4.413 1.00 54.34 C ATOM 0 H ALA A 3 -3.046 -10.658 -3.816 1.00 54.10 H new ATOM 0 HA ALA A 3 -1.206 -10.235 -2.641 1.00 24.32 H new ATOM 0 HB1 ALA A 3 0.926 -10.153 -3.893 1.00 54.34 H new ATOM 0 HB2 ALA A 3 -0.155 -11.423 -4.513 1.00 54.34 H new ATOM 0 HB3 ALA A 3 0.021 -9.891 -5.403 1.00 54.34 H new ATOM 18 N MET A 4 0.254 -7.903 -2.952 1.00 31.03 N ATOM 19 CA MET A 4 0.591 -6.506 -2.701 1.00 73.41 C ATOM 20 C MET A 4 1.764 -6.066 -3.570 1.00 43.13 C ATOM 21 O MET A 4 1.606 -5.247 -4.475 1.00 23.30 O ATOM 22 CB MET A 4 0.929 -6.298 -1.224 1.00 31.23 C ATOM 23 CG MET A 4 -0.087 -5.445 -0.482 1.00 52.31 C ATOM 24 SD MET A 4 -0.164 -5.828 1.278 1.00 22.20 S ATOM 25 CE MET A 4 -0.415 -4.195 1.970 1.00 72.24 C ATOM 0 H MET A 4 1.009 -8.561 -2.757 1.00 31.03 H new ATOM 0 HA MET A 4 -0.276 -5.897 -2.957 1.00 73.41 H new ATOM 0 HB2 MET A 4 1.001 -7.270 -0.736 1.00 31.23 H new ATOM 0 HB3 MET A 4 1.910 -5.829 -1.147 1.00 31.23 H new ATOM 0 HG2 MET A 4 0.166 -4.392 -0.610 1.00 52.31 H new ATOM 0 HG3 MET A 4 -1.072 -5.592 -0.925 1.00 52.31 H new ATOM 0 HE1 MET A 4 -0.483 -4.266 3.056 1.00 72.24 H new ATOM 0 HE2 MET A 4 0.423 -3.553 1.700 1.00 72.24 H new ATOM 0 HE3 MET A 4 -1.338 -3.771 1.576 1.00 72.24 H new ATOM 35 N GLY A 5 2.942 -6.615 -3.289 1.00 44.31 N ATOM 36 CA GLY A 5 4.125 -6.265 -4.054 1.00 60.31 C ATOM 37 C GLY A 5 5.378 -6.930 -3.520 1.00 3.31 C ATOM 38 O GLY A 5 5.579 -8.130 -3.706 1.00 0.43 O ATOM 0 H GLY A 5 3.098 -7.296 -2.546 1.00 44.31 H new ATOM 0 HA2 GLY A 5 3.979 -6.554 -5.095 1.00 60.31 H new ATOM 0 HA3 GLY A 5 4.257 -5.183 -4.039 1.00 60.31 H new ATOM 42 N GLN A 6 6.224 -6.148 -2.856 1.00 53.11 N ATOM 43 CA GLN A 6 7.465 -6.668 -2.296 1.00 23.22 C ATOM 44 C GLN A 6 8.384 -7.187 -3.397 1.00 1.10 C ATOM 45 O GLN A 6 8.009 -7.215 -4.568 1.00 71.35 O ATOM 46 CB GLN A 6 7.169 -7.786 -1.294 1.00 54.43 C ATOM 47 CG GLN A 6 7.344 -7.365 0.156 1.00 30.10 C ATOM 48 CD GLN A 6 7.302 -8.540 1.113 1.00 1.24 C ATOM 49 OE1 GLN A 6 8.145 -8.661 2.002 1.00 24.43 O ATOM 50 NE2 GLN A 6 6.317 -9.413 0.937 1.00 43.12 N ATOM 0 H GLN A 6 6.072 -5.153 -2.693 1.00 53.11 H new ATOM 0 HA GLN A 6 7.971 -5.852 -1.780 1.00 23.22 H new ATOM 0 HB2 GLN A 6 6.147 -8.134 -1.442 1.00 54.43 H new ATOM 0 HB3 GLN A 6 7.826 -8.631 -1.500 1.00 54.43 H new ATOM 0 HG2 GLN A 6 8.295 -6.844 0.267 1.00 30.10 H new ATOM 0 HG3 GLN A 6 6.560 -6.656 0.422 1.00 30.10 H new ATOM 0 HE21 GLN A 6 5.640 -9.274 0.187 1.00 43.12 H new ATOM 0 HE22 GLN A 6 6.238 -10.223 1.552 1.00 43.12 H new ATOM 59 N GLU A 7 9.589 -7.596 -3.012 1.00 1.31 N ATOM 60 CA GLU A 7 10.561 -8.112 -3.968 1.00 24.21 C ATOM 61 C GLU A 7 10.469 -9.632 -4.071 1.00 11.11 C ATOM 62 O GLU A 7 9.624 -10.259 -3.431 1.00 22.41 O ATOM 63 CB GLU A 7 11.978 -7.703 -3.560 1.00 22.13 C ATOM 64 CG GLU A 7 12.095 -6.246 -3.145 1.00 43.01 C ATOM 65 CD GLU A 7 13.532 -5.819 -2.914 1.00 52.22 C ATOM 66 OE1 GLU A 7 14.427 -6.357 -3.598 1.00 64.32 O ATOM 67 OE2 GLU A 7 13.761 -4.947 -2.050 1.00 54.11 O ATOM 0 H GLU A 7 9.915 -7.580 -2.046 1.00 1.31 H new ATOM 0 HA GLU A 7 10.334 -7.684 -4.944 1.00 24.21 H new ATOM 0 HB2 GLU A 7 12.306 -8.335 -2.734 1.00 22.13 H new ATOM 0 HB3 GLU A 7 12.655 -7.890 -4.393 1.00 22.13 H new ATOM 0 HG2 GLU A 7 11.652 -5.616 -3.916 1.00 43.01 H new ATOM 0 HG3 GLU A 7 11.521 -6.085 -2.233 1.00 43.01 H new ATOM 74 N THR A 8 11.344 -10.219 -4.882 1.00 53.30 N ATOM 75 CA THR A 8 11.361 -11.664 -5.071 1.00 54.32 C ATOM 76 C THR A 8 10.043 -12.157 -5.658 1.00 50.21 C ATOM 77 O THR A 8 9.064 -11.413 -5.721 1.00 72.24 O ATOM 78 CB THR A 8 11.627 -12.401 -3.745 1.00 53.21 C ATOM 79 OG1 THR A 8 12.309 -11.535 -2.832 1.00 1.45 O ATOM 80 CG2 THR A 8 12.456 -13.654 -3.980 1.00 5.04 C ATOM 0 H THR A 8 12.050 -9.715 -5.419 1.00 53.30 H new ATOM 0 HA THR A 8 12.170 -11.882 -5.768 1.00 54.32 H new ATOM 0 HB THR A 8 10.668 -12.694 -3.318 1.00 53.21 H new ATOM 0 HG1 THR A 8 12.473 -12.010 -1.991 1.00 1.45 H new ATOM 0 HG21 THR A 8 12.631 -14.158 -3.029 1.00 5.04 H new ATOM 0 HG22 THR A 8 11.920 -14.324 -4.652 1.00 5.04 H new ATOM 0 HG23 THR A 8 13.412 -13.380 -4.427 1.00 5.04 H new ATOM 88 N ASP A 9 10.025 -13.414 -6.085 1.00 61.53 N ATOM 89 CA ASP A 9 8.826 -14.008 -6.666 1.00 0.22 C ATOM 90 C ASP A 9 8.294 -13.149 -7.809 1.00 71.52 C ATOM 91 O ASP A 9 7.120 -12.780 -7.826 1.00 73.24 O ATOM 92 CB ASP A 9 7.747 -14.180 -5.596 1.00 11.34 C ATOM 93 CG ASP A 9 8.310 -14.683 -4.281 1.00 41.21 C ATOM 94 OD1 ASP A 9 9.045 -15.693 -4.298 1.00 13.13 O ATOM 95 OD2 ASP A 9 8.017 -14.066 -3.236 1.00 20.13 O ATOM 0 H ASP A 9 10.827 -14.042 -6.040 1.00 61.53 H new ATOM 0 HA ASP A 9 9.091 -14.987 -7.064 1.00 0.22 H new ATOM 0 HB2 ASP A 9 7.247 -13.226 -5.432 1.00 11.34 H new ATOM 0 HB3 ASP A 9 6.991 -14.879 -5.955 1.00 11.34 H new ATOM 100 N TRP A 10 9.165 -12.835 -8.761 1.00 21.31 N ATOM 101 CA TRP A 10 8.783 -12.019 -9.908 1.00 32.23 C ATOM 102 C TRP A 10 7.680 -12.696 -10.714 1.00 64.34 C ATOM 103 O TRP A 10 6.981 -12.048 -11.493 1.00 62.13 O ATOM 104 CB TRP A 10 9.997 -11.756 -10.800 1.00 71.31 C ATOM 105 CG TRP A 10 10.482 -12.979 -11.518 1.00 62.11 C ATOM 106 CD1 TRP A 10 11.019 -14.101 -10.955 1.00 23.34 C ATOM 107 CD2 TRP A 10 10.476 -13.201 -12.932 1.00 62.44 C ATOM 108 NE1 TRP A 10 11.348 -15.008 -11.934 1.00 13.23 N ATOM 109 CE2 TRP A 10 11.024 -14.480 -13.155 1.00 74.15 C ATOM 110 CE3 TRP A 10 10.060 -12.446 -14.032 1.00 10.02 C ATOM 111 CZ2 TRP A 10 11.165 -15.016 -14.433 1.00 24.35 C ATOM 112 CZ3 TRP A 10 10.202 -12.979 -15.299 1.00 33.43 C ATOM 113 CH2 TRP A 10 10.750 -14.255 -15.491 1.00 13.33 C ATOM 0 H TRP A 10 10.141 -13.133 -8.762 1.00 21.31 H new ATOM 0 HA TRP A 10 8.403 -11.068 -9.536 1.00 32.23 H new ATOM 0 HB2 TRP A 10 9.742 -10.990 -11.533 1.00 71.31 H new ATOM 0 HB3 TRP A 10 10.807 -11.356 -10.190 1.00 71.31 H new ATOM 0 HD1 TRP A 10 11.164 -14.253 -9.896 1.00 23.34 H new ATOM 0 HE1 TRP A 10 11.766 -15.925 -11.776 1.00 13.23 H new ATOM 0 HE3 TRP A 10 9.635 -11.463 -13.894 1.00 10.02 H new ATOM 0 HZ2 TRP A 10 11.587 -15.999 -14.583 1.00 24.35 H new ATOM 0 HZ3 TRP A 10 9.885 -12.403 -16.156 1.00 33.43 H new ATOM 0 HH2 TRP A 10 10.846 -14.645 -16.494 1.00 13.33 H new ATOM 124 N ARG A 11 7.530 -14.003 -10.523 1.00 3.10 N ATOM 125 CA ARG A 11 6.513 -14.767 -11.234 1.00 71.43 C ATOM 126 C ARG A 11 5.117 -14.423 -10.723 1.00 2.51 C ATOM 127 O ARG A 11 4.113 -14.815 -11.317 1.00 41.31 O ATOM 128 CB ARG A 11 6.769 -16.267 -11.077 1.00 61.43 C ATOM 129 CG ARG A 11 8.170 -16.692 -11.488 1.00 35.34 C ATOM 130 CD ARG A 11 8.360 -18.194 -11.345 1.00 23.23 C ATOM 131 NE ARG A 11 8.502 -18.598 -9.948 1.00 50.52 N ATOM 132 CZ ARG A 11 8.356 -19.849 -9.526 1.00 51.52 C ATOM 133 NH1 ARG A 11 8.066 -20.813 -10.388 1.00 72.04 N ATOM 134 NH2 ARG A 11 8.501 -20.137 -8.239 1.00 55.01 N ATOM 0 H ARG A 11 8.100 -14.554 -9.882 1.00 3.10 H new ATOM 0 HA ARG A 11 6.570 -14.504 -12.290 1.00 71.43 H new ATOM 0 HB2 ARG A 11 6.603 -16.548 -10.037 1.00 61.43 H new ATOM 0 HB3 ARG A 11 6.042 -16.816 -11.675 1.00 61.43 H new ATOM 0 HG2 ARG A 11 8.352 -16.398 -12.522 1.00 35.34 H new ATOM 0 HG3 ARG A 11 8.905 -16.171 -10.874 1.00 35.34 H new ATOM 0 HD2 ARG A 11 7.508 -18.711 -11.787 1.00 23.23 H new ATOM 0 HD3 ARG A 11 9.244 -18.502 -11.903 1.00 23.23 H new ATOM 0 HE ARG A 11 8.726 -17.880 -9.259 1.00 50.52 H new ATOM 0 HH11 ARG A 11 7.954 -20.595 -11.378 1.00 72.04 H new ATOM 0 HH12 ARG A 11 7.954 -21.773 -10.061 1.00 72.04 H new ATOM 0 HH21 ARG A 11 8.725 -19.398 -7.573 1.00 55.01 H new ATOM 0 HH22 ARG A 11 8.389 -21.098 -7.916 1.00 55.01 H new ATOM 148 N SER A 12 5.063 -13.687 -9.617 1.00 73.10 N ATOM 149 CA SER A 12 3.791 -13.293 -9.023 1.00 74.10 C ATOM 150 C SER A 12 2.925 -12.550 -10.036 1.00 2.31 C ATOM 151 O SER A 12 3.418 -11.724 -10.805 1.00 63.13 O ATOM 152 CB SER A 12 4.028 -12.413 -7.795 1.00 2.44 C ATOM 153 OG SER A 12 2.954 -11.509 -7.599 1.00 72.50 O ATOM 0 H SER A 12 5.885 -13.352 -9.115 1.00 73.10 H new ATOM 0 HA SER A 12 3.266 -14.198 -8.717 1.00 74.10 H new ATOM 0 HB2 SER A 12 4.145 -13.040 -6.911 1.00 2.44 H new ATOM 0 HB3 SER A 12 4.958 -11.857 -7.916 1.00 2.44 H new ATOM 0 HG SER A 12 3.130 -10.959 -6.807 1.00 72.50 H new ATOM 159 N THR A 13 1.630 -12.849 -10.031 1.00 13.35 N ATOM 160 CA THR A 13 0.694 -12.211 -10.948 1.00 63.14 C ATOM 161 C THR A 13 0.781 -10.692 -10.854 1.00 73.03 C ATOM 162 O THR A 13 0.863 -10.002 -11.870 1.00 1.55 O ATOM 163 CB THR A 13 -0.755 -12.650 -10.668 1.00 13.21 C ATOM 164 OG1 THR A 13 -0.789 -14.041 -10.330 1.00 14.11 O ATOM 165 CG2 THR A 13 -1.642 -12.395 -11.878 1.00 4.22 C ATOM 0 H THR A 13 1.205 -13.530 -9.401 1.00 13.35 H new ATOM 0 HA THR A 13 0.973 -12.526 -11.954 1.00 63.14 H new ATOM 0 HB THR A 13 -1.133 -12.064 -9.831 1.00 13.21 H new ATOM 0 HG1 THR A 13 -1.714 -14.312 -10.152 1.00 14.11 H new ATOM 0 HG21 THR A 13 -2.661 -12.713 -11.656 1.00 4.22 H new ATOM 0 HG22 THR A 13 -1.638 -11.331 -12.115 1.00 4.22 H new ATOM 0 HG23 THR A 13 -1.264 -12.958 -12.731 1.00 4.22 H new ATOM 173 N ALA A 14 0.762 -10.178 -9.629 1.00 0.21 N ATOM 174 CA ALA A 14 0.841 -8.740 -9.403 1.00 21.04 C ATOM 175 C ALA A 14 2.058 -8.141 -10.099 1.00 51.34 C ATOM 176 O ALA A 14 1.991 -7.042 -10.652 1.00 22.41 O ATOM 177 CB ALA A 14 0.885 -8.442 -7.911 1.00 74.12 C ATOM 0 H ALA A 14 0.693 -10.736 -8.778 1.00 0.21 H new ATOM 0 HA ALA A 14 -0.051 -8.281 -9.829 1.00 21.04 H new ATOM 0 HB1 ALA A 14 0.944 -7.365 -7.757 1.00 74.12 H new ATOM 0 HB2 ALA A 14 -0.017 -8.828 -7.436 1.00 74.12 H new ATOM 0 HB3 ALA A 14 1.760 -8.920 -7.470 1.00 74.12 H new ATOM 183 N PHE A 15 3.169 -8.868 -10.069 1.00 64.51 N ATOM 184 CA PHE A 15 4.402 -8.407 -10.697 1.00 24.54 C ATOM 185 C PHE A 15 4.224 -8.265 -12.205 1.00 45.14 C ATOM 186 O PHE A 15 4.242 -7.157 -12.741 1.00 51.32 O ATOM 187 CB PHE A 15 5.546 -9.378 -10.396 1.00 64.11 C ATOM 188 CG PHE A 15 6.903 -8.733 -10.423 1.00 75.01 C ATOM 189 CD1 PHE A 15 7.430 -8.247 -11.609 1.00 32.42 C ATOM 190 CD2 PHE A 15 7.650 -8.612 -9.263 1.00 12.33 C ATOM 191 CE1 PHE A 15 8.678 -7.654 -11.636 1.00 73.14 C ATOM 192 CE2 PHE A 15 8.898 -8.019 -9.284 1.00 43.00 C ATOM 193 CZ PHE A 15 9.412 -7.539 -10.472 1.00 44.44 C ATOM 0 H PHE A 15 3.241 -9.779 -9.616 1.00 64.51 H new ATOM 0 HA PHE A 15 4.647 -7.428 -10.284 1.00 24.54 H new ATOM 0 HB2 PHE A 15 5.384 -9.824 -9.415 1.00 64.11 H new ATOM 0 HB3 PHE A 15 5.524 -10.190 -11.123 1.00 64.11 H new ATOM 0 HD1 PHE A 15 6.859 -8.333 -12.522 1.00 32.42 H new ATOM 0 HD2 PHE A 15 7.252 -8.986 -8.331 1.00 12.33 H new ATOM 0 HE1 PHE A 15 9.079 -7.281 -12.567 1.00 73.14 H new ATOM 0 HE2 PHE A 15 9.470 -7.931 -8.372 1.00 43.00 H new ATOM 0 HZ PHE A 15 10.387 -7.074 -10.491 1.00 44.44 H new ATOM 203 N ARG A 16 4.054 -9.395 -12.884 1.00 40.44 N ATOM 204 CA ARG A 16 3.875 -9.397 -14.331 1.00 52.33 C ATOM 205 C ARG A 16 2.713 -8.495 -14.736 1.00 54.34 C ATOM 206 O ARG A 16 2.782 -7.794 -15.746 1.00 12.25 O ATOM 207 CB ARG A 16 3.629 -10.820 -14.834 1.00 33.40 C ATOM 208 CG ARG A 16 3.716 -10.956 -16.345 1.00 74.23 C ATOM 209 CD ARG A 16 2.502 -11.678 -16.911 1.00 3.24 C ATOM 210 NE ARG A 16 2.874 -12.670 -17.916 1.00 5.23 N ATOM 211 CZ ARG A 16 3.382 -13.861 -17.620 1.00 21.13 C ATOM 212 NH1 ARG A 16 3.577 -14.207 -16.355 1.00 15.14 N ATOM 213 NH2 ARG A 16 3.696 -14.710 -18.590 1.00 51.34 N ATOM 0 H ARG A 16 4.036 -10.320 -12.455 1.00 40.44 H new ATOM 0 HA ARG A 16 4.788 -9.011 -14.785 1.00 52.33 H new ATOM 0 HB2 ARG A 16 4.357 -11.489 -14.375 1.00 33.40 H new ATOM 0 HB3 ARG A 16 2.643 -11.147 -14.505 1.00 33.40 H new ATOM 0 HG2 ARG A 16 3.796 -9.967 -16.796 1.00 74.23 H new ATOM 0 HG3 ARG A 16 4.622 -11.501 -16.611 1.00 74.23 H new ATOM 0 HD2 ARG A 16 1.961 -12.168 -16.101 1.00 3.24 H new ATOM 0 HD3 ARG A 16 1.822 -10.951 -17.354 1.00 3.24 H new ATOM 0 HE ARG A 16 2.736 -12.435 -18.899 1.00 5.23 H new ATOM 0 HH11 ARG A 16 3.337 -13.558 -15.606 1.00 15.14 H new ATOM 0 HH12 ARG A 16 3.967 -15.122 -16.131 1.00 15.14 H new ATOM 0 HH21 ARG A 16 3.547 -14.448 -19.565 1.00 51.34 H new ATOM 0 HH22 ARG A 16 4.086 -15.624 -18.361 1.00 51.34 H new ATOM 227 N GLN A 17 1.647 -8.519 -13.943 1.00 33.31 N ATOM 228 CA GLN A 17 0.470 -7.705 -14.220 1.00 55.22 C ATOM 229 C GLN A 17 0.841 -6.230 -14.327 1.00 42.51 C ATOM 230 O GLN A 17 0.664 -5.608 -15.375 1.00 14.43 O ATOM 231 CB GLN A 17 -0.581 -7.900 -13.126 1.00 33.21 C ATOM 232 CG GLN A 17 -1.863 -7.118 -13.366 1.00 63.54 C ATOM 233 CD GLN A 17 -1.744 -5.663 -12.959 1.00 65.11 C ATOM 234 OE1 GLN A 17 -1.179 -5.344 -11.913 1.00 1.54 O ATOM 235 NE2 GLN A 17 -2.276 -4.771 -13.786 1.00 70.13 N ATOM 0 H GLN A 17 1.574 -9.094 -13.103 1.00 33.31 H new ATOM 0 HA GLN A 17 0.054 -8.027 -15.175 1.00 55.22 H new ATOM 0 HB2 GLN A 17 -0.821 -8.960 -13.050 1.00 33.21 H new ATOM 0 HB3 GLN A 17 -0.156 -7.600 -12.168 1.00 33.21 H new ATOM 0 HG2 GLN A 17 -2.127 -7.175 -14.422 1.00 63.54 H new ATOM 0 HG3 GLN A 17 -2.677 -7.582 -12.809 1.00 63.54 H new ATOM 0 HE21 GLN A 17 -2.735 -5.080 -14.643 1.00 70.13 H new ATOM 0 HE22 GLN A 17 -2.226 -3.777 -13.565 1.00 70.13 H new ATOM 244 N LYS A 18 1.358 -5.674 -13.236 1.00 72.21 N ATOM 245 CA LYS A 18 1.756 -4.272 -13.206 1.00 40.11 C ATOM 246 C LYS A 18 2.666 -3.939 -14.385 1.00 35.15 C ATOM 247 O LYS A 18 2.458 -2.944 -15.080 1.00 61.14 O ATOM 248 CB LYS A 18 2.470 -3.951 -11.891 1.00 33.11 C ATOM 249 CG LYS A 18 1.548 -3.398 -10.818 1.00 10.31 C ATOM 250 CD LYS A 18 2.137 -3.580 -9.429 1.00 14.30 C ATOM 251 CE LYS A 18 2.912 -2.348 -8.986 1.00 61.35 C ATOM 252 NZ LYS A 18 4.096 -2.707 -8.157 1.00 13.32 N ATOM 0 H LYS A 18 1.511 -6.174 -12.360 1.00 72.21 H new ATOM 0 HA LYS A 18 0.855 -3.663 -13.281 1.00 40.11 H new ATOM 0 HB2 LYS A 18 2.948 -4.856 -11.516 1.00 33.11 H new ATOM 0 HB3 LYS A 18 3.263 -3.229 -12.085 1.00 33.11 H new ATOM 0 HG2 LYS A 18 1.368 -2.339 -11.002 1.00 10.31 H new ATOM 0 HG3 LYS A 18 0.582 -3.900 -10.873 1.00 10.31 H new ATOM 0 HD2 LYS A 18 1.337 -3.783 -8.717 1.00 14.30 H new ATOM 0 HD3 LYS A 18 2.797 -4.448 -9.423 1.00 14.30 H new ATOM 0 HE2 LYS A 18 3.239 -1.789 -9.863 1.00 61.35 H new ATOM 0 HE3 LYS A 18 2.255 -1.691 -8.416 1.00 61.35 H new ATOM 0 HZ1 LYS A 18 4.598 -1.841 -7.875 1.00 13.32 H new ATOM 0 HZ2 LYS A 18 3.783 -3.218 -7.307 1.00 13.32 H new ATOM 0 HZ3 LYS A 18 4.736 -3.313 -8.709 1.00 13.32 H new ATOM 266 N LEU A 19 3.672 -4.778 -14.604 1.00 41.31 N ATOM 267 CA LEU A 19 4.613 -4.573 -15.700 1.00 71.32 C ATOM 268 C LEU A 19 3.891 -4.566 -17.044 1.00 15.55 C ATOM 269 O LEU A 19 4.183 -3.744 -17.913 1.00 33.13 O ATOM 270 CB LEU A 19 5.683 -5.666 -15.690 1.00 63.11 C ATOM 271 CG LEU A 19 6.865 -5.439 -14.747 1.00 63.30 C ATOM 272 CD1 LEU A 19 8.041 -4.836 -15.500 1.00 12.10 C ATOM 273 CD2 LEU A 19 6.457 -4.544 -13.586 1.00 61.20 C ATOM 0 H LEU A 19 3.857 -5.606 -14.038 1.00 41.31 H new ATOM 0 HA LEU A 19 5.090 -3.603 -15.560 1.00 71.32 H new ATOM 0 HB2 LEU A 19 5.207 -6.610 -15.423 1.00 63.11 H new ATOM 0 HB3 LEU A 19 6.069 -5.778 -16.703 1.00 63.11 H new ATOM 0 HG LEU A 19 7.174 -6.404 -14.345 1.00 63.30 H new ATOM 0 HD11 LEU A 19 8.873 -4.682 -14.813 1.00 12.10 H new ATOM 0 HD12 LEU A 19 8.349 -5.514 -16.296 1.00 12.10 H new ATOM 0 HD13 LEU A 19 7.745 -3.880 -15.932 1.00 12.10 H new ATOM 0 HD21 LEU A 19 7.311 -4.393 -12.925 1.00 61.20 H new ATOM 0 HD22 LEU A 19 6.121 -3.581 -13.970 1.00 61.20 H new ATOM 0 HD23 LEU A 19 5.647 -5.016 -13.030 1.00 61.20 H new ATOM 285 N VAL A 20 2.944 -5.485 -17.206 1.00 40.41 N ATOM 286 CA VAL A 20 2.177 -5.582 -18.442 1.00 51.31 C ATOM 287 C VAL A 20 1.469 -4.268 -18.755 1.00 5.15 C ATOM 288 O VAL A 20 1.456 -3.815 -19.899 1.00 74.32 O ATOM 289 CB VAL A 20 1.131 -6.710 -18.366 1.00 40.15 C ATOM 290 CG1 VAL A 20 0.019 -6.476 -19.378 1.00 21.22 C ATOM 291 CG2 VAL A 20 1.790 -8.063 -18.589 1.00 41.45 C ATOM 0 H VAL A 20 2.690 -6.173 -16.497 1.00 40.41 H new ATOM 0 HA VAL A 20 2.887 -5.807 -19.238 1.00 51.31 H new ATOM 0 HB VAL A 20 0.689 -6.706 -17.369 1.00 40.15 H new ATOM 0 HG11 VAL A 20 -0.711 -7.283 -19.310 1.00 21.22 H new ATOM 0 HG12 VAL A 20 -0.471 -5.525 -19.167 1.00 21.22 H new ATOM 0 HG13 VAL A 20 0.441 -6.452 -20.383 1.00 21.22 H new ATOM 0 HG21 VAL A 20 1.036 -8.849 -18.532 1.00 41.45 H new ATOM 0 HG22 VAL A 20 2.260 -8.081 -19.573 1.00 41.45 H new ATOM 0 HG23 VAL A 20 2.547 -8.230 -17.823 1.00 41.45 H new ATOM 301 N SER A 21 0.883 -3.659 -17.729 1.00 20.44 N ATOM 302 CA SER A 21 0.170 -2.398 -17.894 1.00 22.12 C ATOM 303 C SER A 21 1.114 -1.299 -18.372 1.00 3.05 C ATOM 304 O SER A 21 0.770 -0.511 -19.252 1.00 3.44 O ATOM 305 CB SER A 21 -0.488 -1.984 -16.577 1.00 12.45 C ATOM 306 OG SER A 21 -1.894 -1.876 -16.721 1.00 21.25 O ATOM 0 H SER A 21 0.888 -4.019 -16.775 1.00 20.44 H new ATOM 0 HA SER A 21 -0.603 -2.542 -18.648 1.00 22.12 H new ATOM 0 HB2 SER A 21 -0.254 -2.716 -15.804 1.00 12.45 H new ATOM 0 HB3 SER A 21 -0.079 -1.029 -16.247 1.00 12.45 H new ATOM 0 HG SER A 21 -2.291 -1.612 -15.865 1.00 21.25 H new ATOM 312 N GLN A 22 2.306 -1.254 -17.784 1.00 33.40 N ATOM 313 CA GLN A 22 3.300 -0.252 -18.149 1.00 13.14 C ATOM 314 C GLN A 22 3.613 -0.313 -19.640 1.00 73.01 C ATOM 315 O GLN A 22 3.570 0.703 -20.335 1.00 73.41 O ATOM 316 CB GLN A 22 4.581 -0.455 -17.338 1.00 12.11 C ATOM 317 CG GLN A 22 4.375 -0.339 -15.836 1.00 43.11 C ATOM 318 CD GLN A 22 3.436 0.790 -15.461 1.00 54.12 C ATOM 319 OE1 GLN A 22 3.729 1.962 -15.698 1.00 4.20 O ATOM 320 NE2 GLN A 22 2.297 0.442 -14.873 1.00 1.52 N ATOM 0 H GLN A 22 2.606 -1.900 -17.053 1.00 33.40 H new ATOM 0 HA GLN A 22 2.887 0.731 -17.923 1.00 13.14 H new ATOM 0 HB2 GLN A 22 4.993 -1.438 -17.565 1.00 12.11 H new ATOM 0 HB3 GLN A 22 5.321 0.281 -17.653 1.00 12.11 H new ATOM 0 HG2 GLN A 22 3.977 -1.279 -15.454 1.00 43.11 H new ATOM 0 HG3 GLN A 22 5.339 -0.181 -15.352 1.00 43.11 H new ATOM 0 HE21 GLN A 22 2.095 -0.542 -14.695 1.00 1.52 H new ATOM 0 HE22 GLN A 22 1.625 1.159 -14.599 1.00 1.52 H new ATOM 329 N ILE A 23 3.928 -1.509 -20.125 1.00 32.31 N ATOM 330 CA ILE A 23 4.247 -1.702 -21.534 1.00 22.11 C ATOM 331 C ILE A 23 3.075 -1.300 -22.423 1.00 64.22 C ATOM 332 O ILE A 23 3.267 -0.760 -23.512 1.00 62.52 O ATOM 333 CB ILE A 23 4.624 -3.166 -21.831 1.00 10.43 C ATOM 334 CG1 ILE A 23 5.945 -3.524 -21.147 1.00 10.33 C ATOM 335 CG2 ILE A 23 4.720 -3.394 -23.332 1.00 15.02 C ATOM 336 CD1 ILE A 23 6.310 -4.987 -21.266 1.00 50.21 C ATOM 0 H ILE A 23 3.969 -2.359 -19.563 1.00 32.31 H new ATOM 0 HA ILE A 23 5.103 -1.064 -21.754 1.00 22.11 H new ATOM 0 HB ILE A 23 3.843 -3.815 -21.434 1.00 10.43 H new ATOM 0 HG12 ILE A 23 6.744 -2.922 -21.580 1.00 10.33 H new ATOM 0 HG13 ILE A 23 5.882 -3.258 -20.092 1.00 10.33 H new ATOM 0 HG21 ILE A 23 4.987 -4.433 -23.526 1.00 15.02 H new ATOM 0 HG22 ILE A 23 3.758 -3.174 -23.796 1.00 15.02 H new ATOM 0 HG23 ILE A 23 5.483 -2.739 -23.751 1.00 15.02 H new ATOM 0 HD11 ILE A 23 7.257 -5.168 -20.758 1.00 50.21 H new ATOM 0 HD12 ILE A 23 5.530 -5.595 -20.807 1.00 50.21 H new ATOM 0 HD13 ILE A 23 6.406 -5.254 -22.319 1.00 50.21 H new ATOM 348 N GLU A 24 1.862 -1.566 -21.950 1.00 11.12 N ATOM 349 CA GLU A 24 0.659 -1.231 -22.702 1.00 52.44 C ATOM 350 C GLU A 24 0.436 0.279 -22.728 1.00 63.13 C ATOM 351 O GLU A 24 -0.085 0.824 -23.702 1.00 23.34 O ATOM 352 CB GLU A 24 -0.561 -1.927 -22.094 1.00 44.43 C ATOM 353 CG GLU A 24 -1.505 -2.515 -23.129 1.00 64.13 C ATOM 354 CD GLU A 24 -2.858 -1.832 -23.140 1.00 12.14 C ATOM 355 OE1 GLU A 24 -3.564 -1.897 -22.112 1.00 33.31 O ATOM 356 OE2 GLU A 24 -3.211 -1.231 -24.176 1.00 71.43 O ATOM 0 H GLU A 24 1.686 -2.012 -21.050 1.00 11.12 H new ATOM 0 HA GLU A 24 0.794 -1.579 -23.726 1.00 52.44 H new ATOM 0 HB2 GLU A 24 -0.222 -2.723 -21.431 1.00 44.43 H new ATOM 0 HB3 GLU A 24 -1.108 -1.212 -21.480 1.00 44.43 H new ATOM 0 HG2 GLU A 24 -1.052 -2.432 -24.117 1.00 64.13 H new ATOM 0 HG3 GLU A 24 -1.641 -3.578 -22.929 1.00 64.13 H new ATOM 363 N ASP A 25 0.834 0.948 -21.652 1.00 22.01 N ATOM 364 CA ASP A 25 0.679 2.394 -21.550 1.00 43.41 C ATOM 365 C ASP A 25 1.671 3.113 -22.460 1.00 71.40 C ATOM 366 O ASP A 25 1.295 3.995 -23.230 1.00 54.44 O ATOM 367 CB ASP A 25 0.874 2.849 -20.103 1.00 4.12 C ATOM 368 CG ASP A 25 0.343 4.248 -19.859 1.00 20.23 C ATOM 369 OD1 ASP A 25 -0.835 4.500 -20.186 1.00 71.04 O ATOM 370 OD2 ASP A 25 1.106 5.091 -19.341 1.00 34.32 O ATOM 0 H ASP A 25 1.267 0.512 -20.838 1.00 22.01 H new ATOM 0 HA ASP A 25 -0.331 2.649 -21.870 1.00 43.41 H new ATOM 0 HB2 ASP A 25 0.370 2.151 -19.435 1.00 4.12 H new ATOM 0 HB3 ASP A 25 1.935 2.818 -19.855 1.00 4.12 H new ATOM 375 N ALA A 26 2.940 2.728 -22.364 1.00 55.23 N ATOM 376 CA ALA A 26 3.985 3.335 -23.179 1.00 70.42 C ATOM 377 C ALA A 26 3.686 3.172 -24.666 1.00 22.33 C ATOM 378 O ALA A 26 3.853 4.107 -25.448 1.00 23.11 O ATOM 379 CB ALA A 26 5.338 2.726 -22.841 1.00 33.40 C ATOM 0 H ALA A 26 3.268 1.999 -21.730 1.00 55.23 H new ATOM 0 HA ALA A 26 4.012 4.401 -22.956 1.00 70.42 H new ATOM 0 HB1 ALA A 26 6.109 3.188 -23.457 1.00 33.40 H new ATOM 0 HB2 ALA A 26 5.562 2.899 -21.788 1.00 33.40 H new ATOM 0 HB3 ALA A 26 5.313 1.654 -23.035 1.00 33.40 H new ATOM 385 N MET A 27 3.244 1.978 -25.048 1.00 42.24 N ATOM 386 CA MET A 27 2.922 1.694 -26.442 1.00 31.21 C ATOM 387 C MET A 27 1.764 2.563 -26.920 1.00 54.53 C ATOM 388 O MET A 27 1.811 3.131 -28.012 1.00 1.23 O ATOM 389 CB MET A 27 2.570 0.215 -26.615 1.00 11.02 C ATOM 390 CG MET A 27 3.493 -0.522 -27.572 1.00 2.44 C ATOM 391 SD MET A 27 2.706 -1.954 -28.332 1.00 75.04 S ATOM 392 CE MET A 27 1.915 -2.701 -26.909 1.00 54.05 C ATOM 0 H MET A 27 3.101 1.193 -24.413 1.00 42.24 H new ATOM 0 HA MET A 27 3.800 1.924 -27.046 1.00 31.21 H new ATOM 0 HB2 MET A 27 2.604 -0.274 -25.642 1.00 11.02 H new ATOM 0 HB3 MET A 27 1.545 0.134 -26.977 1.00 11.02 H new ATOM 0 HG2 MET A 27 3.823 0.163 -28.353 1.00 2.44 H new ATOM 0 HG3 MET A 27 4.384 -0.845 -27.034 1.00 2.44 H new ATOM 0 HE1 MET A 27 1.632 -3.726 -27.147 1.00 54.05 H new ATOM 0 HE2 MET A 27 2.607 -2.701 -26.067 1.00 54.05 H new ATOM 0 HE3 MET A 27 1.024 -2.130 -26.647 1.00 54.05 H new ATOM 402 N ARG A 28 0.725 2.663 -26.097 1.00 72.03 N ATOM 403 CA ARG A 28 -0.446 3.462 -26.438 1.00 1.32 C ATOM 404 C ARG A 28 -0.039 4.875 -26.847 1.00 14.13 C ATOM 405 O ARG A 28 -0.404 5.351 -27.922 1.00 11.31 O ATOM 406 CB ARG A 28 -1.412 3.521 -25.253 1.00 71.32 C ATOM 407 CG ARG A 28 -2.524 4.543 -25.424 1.00 4.33 C ATOM 408 CD ARG A 28 -3.889 3.933 -25.148 1.00 40.13 C ATOM 409 NE ARG A 28 -4.942 4.945 -25.103 1.00 65.52 N ATOM 410 CZ ARG A 28 -6.165 4.712 -24.640 1.00 43.23 C ATOM 411 NH1 ARG A 28 -6.487 3.510 -24.185 1.00 33.43 N ATOM 412 NH2 ARG A 28 -7.068 5.684 -24.632 1.00 0.11 N ATOM 0 H ARG A 28 0.670 2.201 -25.189 1.00 72.03 H new ATOM 0 HA ARG A 28 -0.946 2.987 -27.282 1.00 1.32 H new ATOM 0 HB2 ARG A 28 -1.855 2.536 -25.107 1.00 71.32 H new ATOM 0 HB3 ARG A 28 -0.850 3.755 -24.349 1.00 71.32 H new ATOM 0 HG2 ARG A 28 -2.356 5.382 -24.748 1.00 4.33 H new ATOM 0 HG3 ARG A 28 -2.501 4.941 -26.438 1.00 4.33 H new ATOM 0 HD2 ARG A 28 -4.122 3.201 -25.922 1.00 40.13 H new ATOM 0 HD3 ARG A 28 -3.861 3.396 -24.200 1.00 40.13 H new ATOM 0 HE ARG A 28 -4.726 5.881 -25.446 1.00 65.52 H new ATOM 0 HH11 ARG A 28 -5.795 2.761 -24.190 1.00 33.43 H new ATOM 0 HH12 ARG A 28 -7.427 3.334 -23.830 1.00 33.43 H new ATOM 0 HH21 ARG A 28 -6.823 6.610 -24.981 1.00 0.11 H new ATOM 0 HH22 ARG A 28 -8.007 5.505 -24.276 1.00 0.11 H new ATOM 426 N LYS A 29 0.718 5.541 -25.981 1.00 53.04 N ATOM 427 CA LYS A 29 1.175 6.899 -26.251 1.00 61.12 C ATOM 428 C LYS A 29 2.284 6.902 -27.299 1.00 31.43 C ATOM 429 O LYS A 29 2.509 7.905 -27.975 1.00 71.53 O ATOM 430 CB LYS A 29 1.675 7.556 -24.963 1.00 12.24 C ATOM 431 CG LYS A 29 1.084 8.933 -24.713 1.00 73.03 C ATOM 432 CD LYS A 29 1.059 9.269 -23.232 1.00 35.04 C ATOM 433 CE LYS A 29 0.966 10.770 -23.002 1.00 24.30 C ATOM 434 NZ LYS A 29 0.432 11.092 -21.650 1.00 54.21 N ATOM 0 H LYS A 29 1.028 5.162 -25.086 1.00 53.04 H new ATOM 0 HA LYS A 29 0.331 7.469 -26.639 1.00 61.12 H new ATOM 0 HB2 LYS A 29 1.437 6.909 -24.119 1.00 12.24 H new ATOM 0 HB3 LYS A 29 2.761 7.638 -25.005 1.00 12.24 H new ATOM 0 HG2 LYS A 29 1.668 9.683 -25.247 1.00 73.03 H new ATOM 0 HG3 LYS A 29 0.071 8.973 -25.113 1.00 73.03 H new ATOM 0 HD2 LYS A 29 0.210 8.774 -22.760 1.00 35.04 H new ATOM 0 HD3 LYS A 29 1.959 8.882 -22.755 1.00 35.04 H new ATOM 0 HE2 LYS A 29 1.953 11.217 -23.118 1.00 24.30 H new ATOM 0 HE3 LYS A 29 0.323 11.215 -23.762 1.00 24.30 H new ATOM 0 HZ1 LYS A 29 0.384 12.124 -21.532 1.00 54.21 H new ATOM 0 HZ2 LYS A 29 -0.521 10.687 -21.548 1.00 54.21 H new ATOM 0 HZ3 LYS A 29 1.059 10.690 -20.924 1.00 54.21 H new ATOM 448 N ALA A 30 2.972 5.772 -27.428 1.00 4.22 N ATOM 449 CA ALA A 30 4.055 5.644 -28.395 1.00 71.25 C ATOM 450 C ALA A 30 3.525 5.706 -29.824 1.00 34.41 C ATOM 451 O ALA A 30 4.230 6.125 -30.741 1.00 32.43 O ATOM 452 CB ALA A 30 4.815 4.345 -28.168 1.00 52.42 C ATOM 0 H ALA A 30 2.798 4.933 -26.875 1.00 4.22 H new ATOM 0 HA ALA A 30 4.738 6.481 -28.252 1.00 71.25 H new ATOM 0 HB1 ALA A 30 5.621 4.263 -28.897 1.00 52.42 H new ATOM 0 HB2 ALA A 30 5.234 4.340 -27.162 1.00 52.42 H new ATOM 0 HB3 ALA A 30 4.135 3.501 -28.282 1.00 52.42 H new ATOM 458 N GLY A 31 2.277 5.284 -30.006 1.00 14.42 N ATOM 459 CA GLY A 31 1.674 5.299 -31.326 1.00 14.52 C ATOM 460 C GLY A 31 2.386 4.382 -32.299 1.00 63.23 C ATOM 461 O GLY A 31 3.163 4.838 -33.139 1.00 34.11 O ATOM 0 H GLY A 31 1.673 4.932 -29.263 1.00 14.42 H new ATOM 0 HA2 GLY A 31 0.629 5.000 -31.248 1.00 14.52 H new ATOM 0 HA3 GLY A 31 1.686 6.317 -31.716 1.00 14.52 H new ATOM 465 N VAL A 32 2.124 3.084 -32.187 1.00 21.54 N ATOM 466 CA VAL A 32 2.747 2.099 -33.063 1.00 74.14 C ATOM 467 C VAL A 32 1.696 1.252 -33.772 1.00 73.03 C ATOM 468 O VAL A 32 1.437 1.432 -34.962 1.00 5.52 O ATOM 469 CB VAL A 32 3.696 1.171 -32.281 1.00 55.44 C ATOM 470 CG1 VAL A 32 5.142 1.599 -32.478 1.00 61.30 C ATOM 471 CG2 VAL A 32 3.331 1.159 -30.805 1.00 14.13 C ATOM 0 H VAL A 32 1.484 2.690 -31.498 1.00 21.54 H new ATOM 0 HA VAL A 32 3.323 2.654 -33.803 1.00 74.14 H new ATOM 0 HB VAL A 32 3.586 0.158 -32.667 1.00 55.44 H new ATOM 0 HG11 VAL A 32 5.798 0.932 -31.918 1.00 61.30 H new ATOM 0 HG12 VAL A 32 5.394 1.552 -33.537 1.00 61.30 H new ATOM 0 HG13 VAL A 32 5.271 2.620 -32.120 1.00 61.30 H new ATOM 0 HG21 VAL A 32 4.011 0.499 -30.267 1.00 14.13 H new ATOM 0 HG22 VAL A 32 3.411 2.169 -30.402 1.00 14.13 H new ATOM 0 HG23 VAL A 32 2.308 0.801 -30.686 1.00 14.13 H new ATOM 481 N ALA A 33 1.092 0.327 -33.033 1.00 12.30 N ATOM 482 CA ALA A 33 0.067 -0.546 -33.590 1.00 34.41 C ATOM 483 C ALA A 33 0.632 -1.411 -34.712 1.00 1.32 C ATOM 484 O ALA A 33 0.690 -0.987 -35.867 1.00 2.14 O ATOM 485 CB ALA A 33 -1.109 0.276 -34.096 1.00 74.31 C ATOM 0 H ALA A 33 1.295 0.163 -32.047 1.00 12.30 H new ATOM 0 HA ALA A 33 -0.281 -1.208 -32.797 1.00 34.41 H new ATOM 0 HB1 ALA A 33 -1.867 -0.389 -34.509 1.00 74.31 H new ATOM 0 HB2 ALA A 33 -1.537 0.845 -33.271 1.00 74.31 H new ATOM 0 HB3 ALA A 33 -0.767 0.962 -34.871 1.00 74.31 H new ATOM 491 N HIS A 34 1.049 -2.624 -34.365 1.00 31.41 N ATOM 492 CA HIS A 34 1.610 -3.549 -35.344 1.00 4.34 C ATOM 493 C HIS A 34 1.673 -4.965 -34.780 1.00 21.02 C ATOM 494 O HIS A 34 0.982 -5.865 -35.257 1.00 51.31 O ATOM 495 CB HIS A 34 3.008 -3.092 -35.764 1.00 72.42 C ATOM 496 CG HIS A 34 3.429 -3.610 -37.105 1.00 74.21 C ATOM 497 ND1 HIS A 34 3.116 -4.876 -37.555 1.00 50.52 N ATOM 498 CD2 HIS A 34 4.140 -3.025 -38.097 1.00 3.14 C ATOM 499 CE1 HIS A 34 3.619 -5.047 -38.765 1.00 13.22 C ATOM 500 NE2 HIS A 34 4.245 -3.938 -39.117 1.00 33.33 N ATOM 0 H HIS A 34 1.009 -2.990 -33.414 1.00 31.41 H new ATOM 0 HA HIS A 34 0.959 -3.554 -36.218 1.00 4.34 H new ATOM 0 HB2 HIS A 34 3.036 -2.002 -35.779 1.00 72.42 H new ATOM 0 HB3 HIS A 34 3.729 -3.419 -35.015 1.00 72.42 H new ATOM 0 HD2 HIS A 34 4.549 -2.025 -38.088 1.00 3.14 H new ATOM 0 HE1 HIS A 34 3.533 -5.941 -39.364 1.00 13.22 H new ATOM 0 HE2 HIS A 34 4.728 -3.785 -40.002 1.00 33.33 H new ATOM 508 N SER A 35 2.507 -5.155 -33.762 1.00 72.31 N ATOM 509 CA SER A 35 2.663 -6.463 -33.136 1.00 61.13 C ATOM 510 C SER A 35 1.313 -7.018 -32.694 1.00 32.53 C ATOM 511 O SER A 35 0.293 -6.332 -32.761 1.00 41.22 O ATOM 512 CB SER A 35 3.607 -6.368 -31.936 1.00 34.02 C ATOM 513 OG SER A 35 4.959 -6.503 -32.338 1.00 33.32 O ATOM 0 H SER A 35 3.085 -4.420 -33.354 1.00 72.31 H new ATOM 0 HA SER A 35 3.091 -7.143 -33.873 1.00 61.13 H new ATOM 0 HB2 SER A 35 3.467 -5.410 -31.435 1.00 34.02 H new ATOM 0 HB3 SER A 35 3.360 -7.145 -31.213 1.00 34.02 H new ATOM 0 HG SER A 35 5.542 -6.437 -31.553 1.00 33.32 H new ATOM 519 N LYS A 36 1.314 -8.267 -32.240 1.00 71.42 N ATOM 520 CA LYS A 36 0.091 -8.917 -31.785 1.00 31.55 C ATOM 521 C LYS A 36 -0.633 -8.054 -30.756 1.00 74.53 C ATOM 522 O LYS A 36 -1.714 -7.529 -31.024 1.00 3.41 O ATOM 523 CB LYS A 36 0.411 -10.287 -31.182 1.00 21.14 C ATOM 524 CG LYS A 36 -0.657 -11.334 -31.448 1.00 10.43 C ATOM 525 CD LYS A 36 -2.003 -10.912 -30.883 1.00 74.31 C ATOM 526 CE LYS A 36 -3.046 -12.007 -31.053 1.00 51.40 C ATOM 527 NZ LYS A 36 -3.977 -11.715 -32.178 1.00 34.40 N ATOM 0 H LYS A 36 2.149 -8.849 -32.177 1.00 71.42 H new ATOM 0 HA LYS A 36 -0.563 -9.050 -32.647 1.00 31.55 H new ATOM 0 HB2 LYS A 36 1.361 -10.639 -31.585 1.00 21.14 H new ATOM 0 HB3 LYS A 36 0.542 -10.179 -30.105 1.00 21.14 H new ATOM 0 HG2 LYS A 36 -0.747 -11.499 -32.522 1.00 10.43 H new ATOM 0 HG3 LYS A 36 -0.356 -12.283 -31.004 1.00 10.43 H new ATOM 0 HD2 LYS A 36 -1.896 -10.671 -29.825 1.00 74.31 H new ATOM 0 HD3 LYS A 36 -2.341 -10.005 -31.384 1.00 74.31 H new ATOM 0 HE2 LYS A 36 -2.547 -12.959 -31.232 1.00 51.40 H new ATOM 0 HE3 LYS A 36 -3.615 -12.114 -30.129 1.00 51.40 H new ATOM 0 HZ1 LYS A 36 -4.672 -12.484 -32.262 1.00 34.40 H new ATOM 0 HZ2 LYS A 36 -4.472 -10.819 -31.995 1.00 34.40 H new ATOM 0 HZ3 LYS A 36 -3.438 -11.638 -33.064 1.00 34.40 H new ATOM 541 N SER A 37 -0.031 -7.912 -29.580 1.00 43.02 N ATOM 542 CA SER A 37 -0.620 -7.114 -28.511 1.00 61.21 C ATOM 543 C SER A 37 0.281 -7.105 -27.280 1.00 65.22 C ATOM 544 O SER A 37 1.153 -7.962 -27.129 1.00 13.52 O ATOM 545 CB SER A 37 -2.001 -7.659 -28.142 1.00 12.53 C ATOM 546 OG SER A 37 -2.442 -7.132 -26.902 1.00 61.31 O ATOM 0 H SER A 37 0.864 -8.339 -29.343 1.00 43.02 H new ATOM 0 HA SER A 37 -0.725 -6.090 -28.870 1.00 61.21 H new ATOM 0 HB2 SER A 37 -2.717 -7.405 -28.924 1.00 12.53 H new ATOM 0 HB3 SER A 37 -1.963 -8.747 -28.086 1.00 12.53 H new ATOM 0 HG SER A 37 -3.327 -7.494 -26.689 1.00 61.31 H new ATOM 552 N SER A 38 0.065 -6.130 -26.403 1.00 71.21 N ATOM 553 CA SER A 38 0.859 -6.006 -25.187 1.00 4.13 C ATOM 554 C SER A 38 0.891 -7.325 -24.422 1.00 24.45 C ATOM 555 O SER A 38 1.960 -7.843 -24.096 1.00 43.24 O ATOM 556 CB SER A 38 0.294 -4.899 -24.294 1.00 64.31 C ATOM 557 OG SER A 38 1.302 -3.969 -23.935 1.00 74.34 O ATOM 0 H SER A 38 -0.654 -5.414 -26.512 1.00 71.21 H new ATOM 0 HA SER A 38 1.878 -5.747 -25.473 1.00 4.13 H new ATOM 0 HB2 SER A 38 -0.512 -4.383 -24.815 1.00 64.31 H new ATOM 0 HB3 SER A 38 -0.137 -5.338 -23.394 1.00 64.31 H new ATOM 0 HG SER A 38 1.776 -4.291 -23.140 1.00 74.34 H new ATOM 563 N LYS A 39 -0.289 -7.866 -24.137 1.00 3.54 N ATOM 564 CA LYS A 39 -0.399 -9.125 -23.411 1.00 21.31 C ATOM 565 C LYS A 39 0.488 -10.195 -24.040 1.00 5.14 C ATOM 566 O LYS A 39 1.160 -10.950 -23.336 1.00 73.12 O ATOM 567 CB LYS A 39 -1.853 -9.601 -23.392 1.00 14.04 C ATOM 568 CG LYS A 39 -2.648 -9.079 -22.208 1.00 14.35 C ATOM 569 CD LYS A 39 -2.362 -9.878 -20.947 1.00 44.33 C ATOM 570 CE LYS A 39 -3.251 -9.439 -19.794 1.00 55.25 C ATOM 571 NZ LYS A 39 -4.245 -10.487 -19.431 1.00 12.52 N ATOM 0 H LYS A 39 -1.183 -7.451 -24.398 1.00 3.54 H new ATOM 0 HA LYS A 39 -0.065 -8.956 -22.387 1.00 21.31 H new ATOM 0 HB2 LYS A 39 -2.342 -9.286 -24.314 1.00 14.04 H new ATOM 0 HB3 LYS A 39 -1.870 -10.691 -23.378 1.00 14.04 H new ATOM 0 HG2 LYS A 39 -2.403 -8.030 -22.038 1.00 14.35 H new ATOM 0 HG3 LYS A 39 -3.713 -9.125 -22.435 1.00 14.35 H new ATOM 0 HD2 LYS A 39 -2.518 -10.939 -21.144 1.00 44.33 H new ATOM 0 HD3 LYS A 39 -1.316 -9.756 -20.668 1.00 44.33 H new ATOM 0 HE2 LYS A 39 -2.633 -9.208 -18.926 1.00 55.25 H new ATOM 0 HE3 LYS A 39 -3.773 -8.522 -20.067 1.00 55.25 H new ATOM 0 HZ1 LYS A 39 -4.832 -10.150 -18.641 1.00 12.52 H new ATOM 0 HZ2 LYS A 39 -4.851 -10.689 -20.251 1.00 12.52 H new ATOM 0 HZ3 LYS A 39 -3.747 -11.354 -19.146 1.00 12.52 H new ATOM 585 N ASP A 40 0.488 -10.252 -25.367 1.00 33.42 N ATOM 586 CA ASP A 40 1.295 -11.228 -26.090 1.00 51.03 C ATOM 587 C ASP A 40 2.774 -10.861 -26.030 1.00 43.31 C ATOM 588 O ASP A 40 3.640 -11.735 -26.005 1.00 42.11 O ATOM 589 CB ASP A 40 0.838 -11.320 -27.547 1.00 42.41 C ATOM 590 CG ASP A 40 -0.268 -12.337 -27.744 1.00 72.21 C ATOM 591 OD1 ASP A 40 -1.452 -11.961 -27.610 1.00 44.24 O ATOM 592 OD2 ASP A 40 0.049 -13.510 -28.033 1.00 3.31 O ATOM 0 H ASP A 40 -0.062 -9.634 -25.964 1.00 33.42 H new ATOM 0 HA ASP A 40 1.161 -12.199 -25.613 1.00 51.03 H new ATOM 0 HB2 ASP A 40 0.491 -10.341 -27.878 1.00 42.41 H new ATOM 0 HB3 ASP A 40 1.688 -11.586 -28.175 1.00 42.41 H new ATOM 597 N MET A 41 3.056 -9.562 -26.008 1.00 70.12 N ATOM 598 CA MET A 41 4.431 -9.080 -25.951 1.00 0.31 C ATOM 599 C MET A 41 5.067 -9.408 -24.604 1.00 33.02 C ATOM 600 O MET A 41 6.115 -10.049 -24.543 1.00 22.14 O ATOM 601 CB MET A 41 4.475 -7.570 -26.194 1.00 51.13 C ATOM 602 CG MET A 41 4.818 -7.195 -27.627 1.00 12.01 C ATOM 603 SD MET A 41 3.505 -6.259 -28.433 1.00 53.42 S ATOM 604 CE MET A 41 4.413 -4.824 -29.003 1.00 12.31 C ATOM 0 H MET A 41 2.351 -8.825 -26.029 1.00 70.12 H new ATOM 0 HA MET A 41 4.999 -9.584 -26.733 1.00 0.31 H new ATOM 0 HB2 MET A 41 3.507 -7.140 -25.936 1.00 51.13 H new ATOM 0 HB3 MET A 41 5.210 -7.124 -25.524 1.00 51.13 H new ATOM 0 HG2 MET A 41 5.736 -6.607 -27.635 1.00 12.01 H new ATOM 0 HG3 MET A 41 5.016 -8.102 -28.198 1.00 12.01 H new ATOM 0 HE1 MET A 41 3.789 -4.246 -29.685 1.00 12.31 H new ATOM 0 HE2 MET A 41 4.687 -4.204 -28.149 1.00 12.31 H new ATOM 0 HE3 MET A 41 5.316 -5.147 -29.522 1.00 12.31 H new ATOM 614 N GLU A 42 4.425 -8.964 -23.528 1.00 0.05 N ATOM 615 CA GLU A 42 4.930 -9.211 -22.182 1.00 10.40 C ATOM 616 C GLU A 42 5.021 -10.708 -21.901 1.00 13.31 C ATOM 617 O GLU A 42 5.960 -11.173 -21.256 1.00 22.30 O ATOM 618 CB GLU A 42 4.028 -8.539 -21.144 1.00 23.31 C ATOM 619 CG GLU A 42 3.849 -7.047 -21.367 1.00 61.23 C ATOM 620 CD GLU A 42 2.400 -6.660 -21.589 1.00 73.40 C ATOM 621 OE1 GLU A 42 1.534 -7.560 -21.562 1.00 62.01 O ATOM 622 OE2 GLU A 42 2.131 -5.457 -21.789 1.00 64.22 O ATOM 0 H GLU A 42 3.555 -8.432 -23.562 1.00 0.05 H new ATOM 0 HA GLU A 42 5.931 -8.785 -22.113 1.00 10.40 H new ATOM 0 HB2 GLU A 42 3.050 -9.020 -21.159 1.00 23.31 H new ATOM 0 HB3 GLU A 42 4.447 -8.702 -20.151 1.00 23.31 H new ATOM 0 HG2 GLU A 42 4.238 -6.505 -20.505 1.00 61.23 H new ATOM 0 HG3 GLU A 42 4.440 -6.739 -22.230 1.00 61.23 H new ATOM 629 N SER A 43 4.037 -11.456 -22.389 1.00 72.32 N ATOM 630 CA SER A 43 4.002 -12.900 -22.187 1.00 63.03 C ATOM 631 C SER A 43 5.252 -13.559 -22.762 1.00 44.04 C ATOM 632 O SER A 43 5.903 -14.367 -22.099 1.00 62.23 O ATOM 633 CB SER A 43 2.752 -13.497 -22.837 1.00 25.32 C ATOM 634 OG SER A 43 1.616 -13.328 -22.007 1.00 23.31 O ATOM 0 H SER A 43 3.253 -11.086 -22.927 1.00 72.32 H new ATOM 0 HA SER A 43 3.972 -13.092 -21.114 1.00 63.03 H new ATOM 0 HB2 SER A 43 2.576 -13.020 -23.801 1.00 25.32 H new ATOM 0 HB3 SER A 43 2.910 -14.558 -23.031 1.00 25.32 H new ATOM 0 HG SER A 43 1.167 -12.487 -22.234 1.00 23.31 H new ATOM 640 N HIS A 44 5.582 -13.208 -24.001 1.00 42.33 N ATOM 641 CA HIS A 44 6.755 -13.764 -24.667 1.00 52.11 C ATOM 642 C HIS A 44 8.028 -13.428 -23.896 1.00 72.01 C ATOM 643 O HIS A 44 8.919 -14.266 -23.754 1.00 13.44 O ATOM 644 CB HIS A 44 6.855 -13.232 -26.097 1.00 65.42 C ATOM 645 CG HIS A 44 7.953 -13.866 -26.896 1.00 11.23 C ATOM 646 ND1 HIS A 44 9.201 -13.298 -27.043 1.00 12.13 N ATOM 647 CD2 HIS A 44 7.985 -15.026 -27.592 1.00 31.23 C ATOM 648 CE1 HIS A 44 9.952 -14.081 -27.796 1.00 4.21 C ATOM 649 NE2 HIS A 44 9.238 -15.137 -28.142 1.00 2.32 N ATOM 0 H HIS A 44 5.054 -12.541 -24.564 1.00 42.33 H new ATOM 0 HA HIS A 44 6.646 -14.848 -24.697 1.00 52.11 H new ATOM 0 HB2 HIS A 44 5.905 -13.398 -26.605 1.00 65.42 H new ATOM 0 HB3 HIS A 44 7.016 -12.154 -26.065 1.00 65.42 H new ATOM 0 HD2 HIS A 44 7.175 -15.733 -27.696 1.00 31.23 H new ATOM 0 HE1 HIS A 44 10.976 -13.890 -28.081 1.00 4.21 H new ATOM 0 HE2 HIS A 44 9.564 -15.909 -28.723 1.00 2.32 H new ATOM 657 N VAL A 45 8.107 -12.197 -23.401 1.00 53.12 N ATOM 658 CA VAL A 45 9.270 -11.750 -22.645 1.00 23.35 C ATOM 659 C VAL A 45 9.474 -12.602 -21.397 1.00 2.14 C ATOM 660 O VAL A 45 10.606 -12.884 -21.003 1.00 20.23 O ATOM 661 CB VAL A 45 9.136 -10.273 -22.229 1.00 22.35 C ATOM 662 CG1 VAL A 45 10.440 -9.766 -21.630 1.00 74.45 C ATOM 663 CG2 VAL A 45 8.719 -9.421 -23.417 1.00 75.25 C ATOM 0 H VAL A 45 7.379 -11.491 -23.510 1.00 53.12 H new ATOM 0 HA VAL A 45 10.134 -11.857 -23.301 1.00 23.35 H new ATOM 0 HB VAL A 45 8.360 -10.197 -21.467 1.00 22.35 H new ATOM 0 HG11 VAL A 45 10.326 -8.721 -21.342 1.00 74.45 H new ATOM 0 HG12 VAL A 45 10.691 -10.359 -20.751 1.00 74.45 H new ATOM 0 HG13 VAL A 45 11.238 -9.854 -22.368 1.00 74.45 H new ATOM 0 HG21 VAL A 45 8.629 -8.381 -23.105 1.00 75.25 H new ATOM 0 HG22 VAL A 45 9.470 -9.500 -24.203 1.00 75.25 H new ATOM 0 HG23 VAL A 45 7.759 -9.770 -23.796 1.00 75.25 H new ATOM 673 N PHE A 46 8.371 -13.009 -20.778 1.00 72.21 N ATOM 674 CA PHE A 46 8.428 -13.829 -19.573 1.00 51.04 C ATOM 675 C PHE A 46 9.017 -15.203 -19.878 1.00 75.43 C ATOM 676 O PHE A 46 10.016 -15.609 -19.284 1.00 31.45 O ATOM 677 CB PHE A 46 7.031 -13.983 -18.969 1.00 12.31 C ATOM 678 CG PHE A 46 7.044 -14.439 -17.538 1.00 13.11 C ATOM 679 CD1 PHE A 46 7.147 -13.521 -16.505 1.00 53.32 C ATOM 680 CD2 PHE A 46 6.952 -15.786 -17.225 1.00 43.43 C ATOM 681 CE1 PHE A 46 7.160 -13.938 -15.188 1.00 14.03 C ATOM 682 CE2 PHE A 46 6.964 -16.209 -15.909 1.00 43.25 C ATOM 683 CZ PHE A 46 7.067 -15.283 -14.889 1.00 61.54 C ATOM 0 H PHE A 46 7.426 -12.784 -21.091 1.00 72.21 H new ATOM 0 HA PHE A 46 9.074 -13.328 -18.853 1.00 51.04 H new ATOM 0 HB2 PHE A 46 6.509 -13.028 -19.033 1.00 12.31 H new ATOM 0 HB3 PHE A 46 6.463 -14.698 -19.565 1.00 12.31 H new ATOM 0 HD1 PHE A 46 7.218 -12.468 -16.732 1.00 53.32 H new ATOM 0 HD2 PHE A 46 6.870 -16.514 -18.019 1.00 43.43 H new ATOM 0 HE1 PHE A 46 7.243 -13.212 -14.392 1.00 14.03 H new ATOM 0 HE2 PHE A 46 6.893 -17.262 -15.679 1.00 43.25 H new ATOM 0 HZ PHE A 46 7.075 -15.610 -13.860 1.00 61.54 H new ATOM 693 N LEU A 47 8.390 -15.915 -20.808 1.00 71.43 N ATOM 694 CA LEU A 47 8.850 -17.245 -21.193 1.00 61.21 C ATOM 695 C LEU A 47 10.266 -17.189 -21.759 1.00 35.01 C ATOM 696 O LEU A 47 10.972 -18.197 -21.795 1.00 0.30 O ATOM 697 CB LEU A 47 7.900 -17.856 -22.225 1.00 22.54 C ATOM 698 CG LEU A 47 6.699 -18.617 -21.663 1.00 15.13 C ATOM 699 CD1 LEU A 47 5.626 -18.782 -22.728 1.00 15.42 C ATOM 700 CD2 LEU A 47 7.130 -19.973 -21.124 1.00 1.04 C ATOM 0 H LEU A 47 7.562 -15.594 -21.309 1.00 71.43 H new ATOM 0 HA LEU A 47 8.859 -17.871 -20.301 1.00 61.21 H new ATOM 0 HB2 LEU A 47 7.530 -17.057 -22.867 1.00 22.54 H new ATOM 0 HB3 LEU A 47 8.471 -18.535 -22.858 1.00 22.54 H new ATOM 0 HG LEU A 47 6.280 -18.038 -20.840 1.00 15.13 H new ATOM 0 HD11 LEU A 47 4.779 -19.326 -22.310 1.00 15.42 H new ATOM 0 HD12 LEU A 47 5.295 -17.800 -23.067 1.00 15.42 H new ATOM 0 HD13 LEU A 47 6.034 -19.338 -23.572 1.00 15.42 H new ATOM 0 HD21 LEU A 47 6.262 -20.500 -20.728 1.00 1.04 H new ATOM 0 HD22 LEU A 47 7.575 -20.559 -21.928 1.00 1.04 H new ATOM 0 HD23 LEU A 47 7.862 -19.832 -20.329 1.00 1.04 H new ATOM 712 N LYS A 48 10.675 -16.004 -22.198 1.00 52.22 N ATOM 713 CA LYS A 48 12.007 -15.814 -22.759 1.00 42.52 C ATOM 714 C LYS A 48 13.017 -15.484 -21.664 1.00 74.11 C ATOM 715 O LYS A 48 14.181 -15.874 -21.743 1.00 21.43 O ATOM 716 CB LYS A 48 11.988 -14.695 -23.803 1.00 63.05 C ATOM 717 CG LYS A 48 13.371 -14.284 -24.280 1.00 31.50 C ATOM 718 CD LYS A 48 13.330 -13.722 -25.691 1.00 1.32 C ATOM 719 CE LYS A 48 14.670 -13.122 -26.091 1.00 34.33 C ATOM 720 NZ LYS A 48 15.197 -13.729 -27.344 1.00 71.51 N ATOM 0 H LYS A 48 10.103 -15.160 -22.176 1.00 52.22 H new ATOM 0 HA LYS A 48 12.308 -16.746 -23.238 1.00 42.52 H new ATOM 0 HB2 LYS A 48 11.399 -15.020 -24.661 1.00 63.05 H new ATOM 0 HB3 LYS A 48 11.485 -13.825 -23.382 1.00 63.05 H new ATOM 0 HG2 LYS A 48 13.784 -13.537 -23.602 1.00 31.50 H new ATOM 0 HG3 LYS A 48 14.038 -15.145 -24.250 1.00 31.50 H new ATOM 0 HD2 LYS A 48 13.061 -14.513 -26.391 1.00 1.32 H new ATOM 0 HD3 LYS A 48 12.554 -12.959 -25.758 1.00 1.32 H new ATOM 0 HE2 LYS A 48 14.560 -12.046 -26.227 1.00 34.33 H new ATOM 0 HE3 LYS A 48 15.389 -13.270 -25.285 1.00 34.33 H new ATOM 0 HZ1 LYS A 48 16.111 -13.294 -27.583 1.00 71.51 H new ATOM 0 HZ2 LYS A 48 15.326 -14.752 -27.207 1.00 71.51 H new ATOM 0 HZ3 LYS A 48 14.523 -13.566 -28.119 1.00 71.51 H new ATOM 734 N ALA A 49 12.562 -14.765 -20.643 1.00 51.03 N ATOM 735 CA ALA A 49 13.425 -14.387 -19.531 1.00 14.30 C ATOM 736 C ALA A 49 13.725 -15.585 -18.637 1.00 11.01 C ATOM 737 O ALA A 49 12.923 -16.513 -18.535 1.00 32.40 O ATOM 738 CB ALA A 49 12.783 -13.269 -18.722 1.00 31.54 C ATOM 0 H ALA A 49 11.601 -14.433 -20.563 1.00 51.03 H new ATOM 0 HA ALA A 49 14.369 -14.028 -19.941 1.00 14.30 H new ATOM 0 HB1 ALA A 49 13.438 -12.996 -17.895 1.00 31.54 H new ATOM 0 HB2 ALA A 49 12.626 -12.401 -19.362 1.00 31.54 H new ATOM 0 HB3 ALA A 49 11.824 -13.608 -18.329 1.00 31.54 H new ATOM 744 N LYS A 50 14.886 -15.559 -17.991 1.00 14.02 N ATOM 745 CA LYS A 50 15.293 -16.643 -17.104 1.00 52.43 C ATOM 746 C LYS A 50 15.175 -16.223 -15.643 1.00 30.15 C ATOM 747 O LYS A 50 15.019 -17.062 -14.755 1.00 75.50 O ATOM 748 CB LYS A 50 16.731 -17.066 -17.410 1.00 62.10 C ATOM 749 CG LYS A 50 16.829 -18.339 -18.234 1.00 14.35 C ATOM 750 CD LYS A 50 17.957 -18.261 -19.248 1.00 70.23 C ATOM 751 CE LYS A 50 19.296 -18.621 -18.622 1.00 55.00 C ATOM 752 NZ LYS A 50 20.131 -19.449 -19.536 1.00 12.23 N ATOM 0 H LYS A 50 15.562 -14.799 -18.065 1.00 14.02 H new ATOM 0 HA LYS A 50 14.628 -17.489 -17.275 1.00 52.43 H new ATOM 0 HB2 LYS A 50 17.233 -16.259 -17.943 1.00 62.10 H new ATOM 0 HB3 LYS A 50 17.266 -17.209 -16.471 1.00 62.10 H new ATOM 0 HG2 LYS A 50 16.991 -19.190 -17.573 1.00 14.35 H new ATOM 0 HG3 LYS A 50 15.885 -18.512 -18.751 1.00 14.35 H new ATOM 0 HD2 LYS A 50 17.749 -18.936 -20.078 1.00 70.23 H new ATOM 0 HD3 LYS A 50 18.007 -17.254 -19.662 1.00 70.23 H new ATOM 0 HE2 LYS A 50 19.834 -17.708 -18.365 1.00 55.00 H new ATOM 0 HE3 LYS A 50 19.128 -19.164 -17.692 1.00 55.00 H new ATOM 0 HZ1 LYS A 50 21.035 -19.673 -19.073 1.00 12.23 H new ATOM 0 HZ2 LYS A 50 19.629 -20.332 -19.761 1.00 12.23 H new ATOM 0 HZ3 LYS A 50 20.313 -18.921 -20.413 1.00 12.23 H new ATOM 766 N THR A 51 15.250 -14.918 -15.398 1.00 33.40 N ATOM 767 CA THR A 51 15.151 -14.388 -14.044 1.00 42.43 C ATOM 768 C THR A 51 14.442 -13.038 -14.033 1.00 32.40 C ATOM 769 O THR A 51 14.247 -12.420 -15.080 1.00 22.14 O ATOM 770 CB THR A 51 16.541 -14.229 -13.400 1.00 65.23 C ATOM 771 OG1 THR A 51 17.302 -13.246 -14.111 1.00 54.15 O ATOM 772 CG2 THR A 51 17.291 -15.553 -13.398 1.00 71.04 C ATOM 0 H THR A 51 15.379 -14.209 -16.120 1.00 33.40 H new ATOM 0 HA THR A 51 14.570 -15.106 -13.465 1.00 42.43 H new ATOM 0 HB THR A 51 16.403 -13.905 -12.368 1.00 65.23 H new ATOM 0 HG1 THR A 51 18.184 -13.150 -13.694 1.00 54.15 H new ATOM 0 HG21 THR A 51 18.270 -15.416 -12.938 1.00 71.04 H new ATOM 0 HG22 THR A 51 16.724 -16.291 -12.831 1.00 71.04 H new ATOM 0 HG23 THR A 51 17.417 -15.901 -14.423 1.00 71.04 H new ATOM 780 N ARG A 52 14.058 -12.587 -12.843 1.00 40.24 N ATOM 781 CA ARG A 52 13.369 -11.310 -12.697 1.00 24.23 C ATOM 782 C ARG A 52 14.157 -10.188 -13.366 1.00 1.54 C ATOM 783 O ARG A 52 13.582 -9.199 -13.822 1.00 64.13 O ATOM 784 CB ARG A 52 13.158 -10.988 -11.216 1.00 44.53 C ATOM 785 CG ARG A 52 14.433 -10.585 -10.493 1.00 21.22 C ATOM 786 CD ARG A 52 14.208 -10.461 -8.994 1.00 74.11 C ATOM 787 NE ARG A 52 15.257 -9.679 -8.346 1.00 13.33 N ATOM 788 CZ ARG A 52 16.482 -10.138 -8.119 1.00 63.11 C ATOM 789 NH1 ARG A 52 16.811 -11.369 -8.487 1.00 1.32 N ATOM 790 NH2 ARG A 52 17.382 -9.366 -7.524 1.00 1.42 N ATOM 0 H ARG A 52 14.212 -13.086 -11.967 1.00 40.24 H new ATOM 0 HA ARG A 52 12.398 -11.390 -13.186 1.00 24.23 H new ATOM 0 HB2 ARG A 52 12.430 -10.181 -11.128 1.00 44.53 H new ATOM 0 HB3 ARG A 52 12.729 -11.859 -10.721 1.00 44.53 H new ATOM 0 HG2 ARG A 52 15.211 -11.324 -10.685 1.00 21.22 H new ATOM 0 HG3 ARG A 52 14.792 -9.635 -10.888 1.00 21.22 H new ATOM 0 HD2 ARG A 52 13.241 -9.993 -8.810 1.00 74.11 H new ATOM 0 HD3 ARG A 52 14.170 -11.456 -8.550 1.00 74.11 H new ATOM 0 HE ARG A 52 15.037 -8.728 -8.051 1.00 13.33 H new ATOM 0 HH11 ARG A 52 16.122 -11.965 -8.946 1.00 1.32 H new ATOM 0 HH12 ARG A 52 17.753 -11.719 -8.311 1.00 1.32 H new ATOM 0 HH21 ARG A 52 17.133 -8.418 -7.240 1.00 1.42 H new ATOM 0 HH22 ARG A 52 18.323 -9.720 -7.350 1.00 1.42 H new ATOM 804 N ASP A 53 15.475 -10.347 -13.419 1.00 72.11 N ATOM 805 CA ASP A 53 16.342 -9.348 -14.032 1.00 52.45 C ATOM 806 C ASP A 53 16.195 -9.359 -15.551 1.00 33.01 C ATOM 807 O ASP A 53 16.009 -8.314 -16.173 1.00 72.03 O ATOM 808 CB ASP A 53 17.800 -9.601 -13.647 1.00 41.20 C ATOM 809 CG ASP A 53 18.667 -8.370 -13.822 1.00 43.32 C ATOM 810 OD1 ASP A 53 18.527 -7.687 -14.859 1.00 62.40 O ATOM 811 OD2 ASP A 53 19.486 -8.088 -12.922 1.00 74.02 O ATOM 0 H ASP A 53 15.966 -11.159 -13.045 1.00 72.11 H new ATOM 0 HA ASP A 53 16.042 -8.367 -13.663 1.00 52.45 H new ATOM 0 HB2 ASP A 53 17.847 -9.930 -12.609 1.00 41.20 H new ATOM 0 HB3 ASP A 53 18.198 -10.412 -14.257 1.00 41.20 H new ATOM 816 N GLU A 54 16.280 -10.548 -16.140 1.00 5.22 N ATOM 817 CA GLU A 54 16.159 -10.694 -17.586 1.00 12.24 C ATOM 818 C GLU A 54 14.883 -10.029 -18.094 1.00 35.30 C ATOM 819 O GLU A 54 14.919 -9.213 -19.015 1.00 62.43 O ATOM 820 CB GLU A 54 16.166 -12.174 -17.973 1.00 54.14 C ATOM 821 CG GLU A 54 16.382 -12.413 -19.458 1.00 72.12 C ATOM 822 CD GLU A 54 16.988 -13.773 -19.748 1.00 13.41 C ATOM 823 OE1 GLU A 54 17.937 -14.162 -19.036 1.00 32.43 O ATOM 824 OE2 GLU A 54 16.514 -14.446 -20.686 1.00 74.32 O ATOM 0 H GLU A 54 16.432 -11.423 -15.639 1.00 5.22 H new ATOM 0 HA GLU A 54 17.014 -10.201 -18.049 1.00 12.24 H new ATOM 0 HB2 GLU A 54 16.950 -12.684 -17.414 1.00 54.14 H new ATOM 0 HB3 GLU A 54 15.219 -12.623 -17.675 1.00 54.14 H new ATOM 0 HG2 GLU A 54 15.428 -12.326 -19.979 1.00 72.12 H new ATOM 0 HG3 GLU A 54 17.035 -11.636 -19.856 1.00 72.12 H new ATOM 831 N TYR A 55 13.756 -10.385 -17.487 1.00 74.14 N ATOM 832 CA TYR A 55 12.467 -9.826 -17.880 1.00 22.42 C ATOM 833 C TYR A 55 12.444 -8.315 -17.677 1.00 4.43 C ATOM 834 O TYR A 55 12.237 -7.552 -18.622 1.00 22.13 O ATOM 835 CB TYR A 55 11.340 -10.477 -17.077 1.00 33.23 C ATOM 836 CG TYR A 55 9.998 -9.805 -17.263 1.00 20.33 C ATOM 837 CD1 TYR A 55 9.217 -10.067 -18.382 1.00 63.20 C ATOM 838 CD2 TYR A 55 9.511 -8.908 -16.320 1.00 64.22 C ATOM 839 CE1 TYR A 55 7.991 -9.455 -18.557 1.00 21.33 C ATOM 840 CE2 TYR A 55 8.286 -8.293 -16.486 1.00 12.22 C ATOM 841 CZ TYR A 55 7.530 -8.569 -17.606 1.00 35.43 C ATOM 842 OH TYR A 55 6.309 -7.957 -17.775 1.00 72.31 O ATOM 0 H TYR A 55 13.709 -11.057 -16.722 1.00 74.14 H new ATOM 0 HA TYR A 55 12.317 -10.034 -18.939 1.00 22.42 H new ATOM 0 HB2 TYR A 55 11.256 -11.524 -17.368 1.00 33.23 H new ATOM 0 HB3 TYR A 55 11.602 -10.460 -16.019 1.00 33.23 H new ATOM 0 HD1 TYR A 55 9.575 -10.761 -19.128 1.00 63.20 H new ATOM 0 HD2 TYR A 55 10.101 -8.688 -15.442 1.00 64.22 H new ATOM 0 HE1 TYR A 55 7.397 -9.669 -19.433 1.00 21.33 H new ATOM 0 HE2 TYR A 55 7.922 -7.599 -15.743 1.00 12.22 H new ATOM 0 HH TYR A 55 5.777 -8.057 -16.958 1.00 72.31 H new ATOM 852 N LEU A 56 12.659 -7.888 -16.437 1.00 43.43 N ATOM 853 CA LEU A 56 12.665 -6.467 -16.108 1.00 14.53 C ATOM 854 C LEU A 56 13.584 -5.693 -17.047 1.00 61.03 C ATOM 855 O LEU A 56 13.349 -4.519 -17.335 1.00 24.35 O ATOM 856 CB LEU A 56 13.108 -6.261 -14.658 1.00 51.32 C ATOM 857 CG LEU A 56 12.016 -6.397 -13.597 1.00 11.24 C ATOM 858 CD1 LEU A 56 12.597 -6.939 -12.300 1.00 34.40 C ATOM 859 CD2 LEU A 56 11.334 -5.058 -13.358 1.00 53.43 C ATOM 0 H LEU A 56 12.831 -8.505 -15.644 1.00 43.43 H new ATOM 0 HA LEU A 56 11.650 -6.088 -16.229 1.00 14.53 H new ATOM 0 HB2 LEU A 56 13.896 -6.980 -14.434 1.00 51.32 H new ATOM 0 HB3 LEU A 56 13.549 -5.268 -14.571 1.00 51.32 H new ATOM 0 HG LEU A 56 11.269 -7.103 -13.961 1.00 11.24 H new ATOM 0 HD11 LEU A 56 11.805 -7.029 -11.556 1.00 34.40 H new ATOM 0 HD12 LEU A 56 13.038 -7.919 -12.481 1.00 34.40 H new ATOM 0 HD13 LEU A 56 13.364 -6.258 -11.932 1.00 34.40 H new ATOM 0 HD21 LEU A 56 10.560 -5.174 -12.600 1.00 53.43 H new ATOM 0 HD22 LEU A 56 12.070 -4.331 -13.016 1.00 53.43 H new ATOM 0 HD23 LEU A 56 10.883 -4.709 -14.287 1.00 53.43 H new ATOM 871 N SER A 57 14.630 -6.360 -17.525 1.00 3.33 N ATOM 872 CA SER A 57 15.586 -5.734 -18.431 1.00 62.41 C ATOM 873 C SER A 57 14.993 -5.587 -19.829 1.00 12.41 C ATOM 874 O SER A 57 14.937 -4.486 -20.379 1.00 60.03 O ATOM 875 CB SER A 57 16.874 -6.558 -18.496 1.00 33.32 C ATOM 876 OG SER A 57 17.902 -5.846 -19.161 1.00 42.23 O ATOM 0 H SER A 57 14.837 -7.333 -17.300 1.00 3.33 H new ATOM 0 HA SER A 57 15.817 -4.741 -18.046 1.00 62.41 H new ATOM 0 HB2 SER A 57 17.198 -6.812 -17.487 1.00 33.32 H new ATOM 0 HB3 SER A 57 16.683 -7.497 -19.016 1.00 33.32 H new ATOM 0 HG SER A 57 18.714 -6.393 -19.188 1.00 42.23 H new ATOM 882 N LEU A 58 14.551 -6.703 -20.398 1.00 13.41 N ATOM 883 CA LEU A 58 13.961 -6.699 -21.732 1.00 73.31 C ATOM 884 C LEU A 58 12.734 -5.794 -21.783 1.00 2.11 C ATOM 885 O LEU A 58 12.500 -5.104 -22.775 1.00 14.31 O ATOM 886 CB LEU A 58 13.577 -8.121 -22.145 1.00 34.22 C ATOM 887 CG LEU A 58 14.730 -9.115 -22.282 1.00 25.23 C ATOM 888 CD1 LEU A 58 14.241 -10.422 -22.887 1.00 53.40 C ATOM 889 CD2 LEU A 58 15.849 -8.521 -23.125 1.00 2.12 C ATOM 0 H LEU A 58 14.590 -7.622 -19.957 1.00 13.41 H new ATOM 0 HA LEU A 58 14.704 -6.312 -22.430 1.00 73.31 H new ATOM 0 HB2 LEU A 58 12.871 -8.513 -21.412 1.00 34.22 H new ATOM 0 HB3 LEU A 58 13.051 -8.071 -23.099 1.00 34.22 H new ATOM 0 HG LEU A 58 15.123 -9.324 -21.287 1.00 25.23 H new ATOM 0 HD11 LEU A 58 15.076 -11.117 -22.976 1.00 53.40 H new ATOM 0 HD12 LEU A 58 13.475 -10.856 -22.244 1.00 53.40 H new ATOM 0 HD13 LEU A 58 13.821 -10.231 -23.874 1.00 53.40 H new ATOM 0 HD21 LEU A 58 16.661 -9.243 -23.212 1.00 2.12 H new ATOM 0 HD22 LEU A 58 15.469 -8.282 -24.118 1.00 2.12 H new ATOM 0 HD23 LEU A 58 16.220 -7.613 -22.650 1.00 2.12 H new ATOM 901 N VAL A 59 11.955 -5.800 -20.706 1.00 23.23 N ATOM 902 CA VAL A 59 10.754 -4.977 -20.626 1.00 24.23 C ATOM 903 C VAL A 59 11.100 -3.493 -20.681 1.00 24.50 C ATOM 904 O VAL A 59 10.615 -2.764 -21.545 1.00 62.45 O ATOM 905 CB VAL A 59 9.964 -5.261 -19.334 1.00 64.24 C ATOM 906 CG1 VAL A 59 8.748 -4.353 -19.242 1.00 12.11 C ATOM 907 CG2 VAL A 59 9.553 -6.725 -19.273 1.00 4.53 C ATOM 0 H VAL A 59 12.134 -6.366 -19.877 1.00 23.23 H new ATOM 0 HA VAL A 59 10.136 -5.235 -21.486 1.00 24.23 H new ATOM 0 HB VAL A 59 10.609 -5.052 -18.480 1.00 64.24 H new ATOM 0 HG11 VAL A 59 8.202 -4.568 -18.323 1.00 12.11 H new ATOM 0 HG12 VAL A 59 9.071 -3.312 -19.237 1.00 12.11 H new ATOM 0 HG13 VAL A 59 8.098 -4.527 -20.099 1.00 12.11 H new ATOM 0 HG21 VAL A 59 8.996 -6.909 -18.354 1.00 4.53 H new ATOM 0 HG22 VAL A 59 8.925 -6.963 -20.132 1.00 4.53 H new ATOM 0 HG23 VAL A 59 10.443 -7.354 -19.289 1.00 4.53 H new ATOM 917 N ALA A 60 11.943 -3.053 -19.752 1.00 61.14 N ATOM 918 CA ALA A 60 12.356 -1.656 -19.697 1.00 25.43 C ATOM 919 C ALA A 60 12.833 -1.170 -21.061 1.00 63.21 C ATOM 920 O ALA A 60 12.335 -0.173 -21.584 1.00 62.20 O ATOM 921 CB ALA A 60 13.451 -1.471 -18.656 1.00 71.11 C ATOM 0 H ALA A 60 12.353 -3.643 -19.028 1.00 61.14 H new ATOM 0 HA ALA A 60 11.491 -1.058 -19.410 1.00 25.43 H new ATOM 0 HB1 ALA A 60 13.750 -0.423 -18.625 1.00 71.11 H new ATOM 0 HB2 ALA A 60 13.077 -1.771 -17.677 1.00 71.11 H new ATOM 0 HB3 ALA A 60 14.311 -2.086 -18.919 1.00 71.11 H new ATOM 927 N ARG A 61 13.801 -1.880 -21.632 1.00 10.00 N ATOM 928 CA ARG A 61 14.346 -1.519 -22.935 1.00 42.00 C ATOM 929 C ARG A 61 13.229 -1.312 -23.953 1.00 50.24 C ATOM 930 O ARG A 61 13.246 -0.350 -24.723 1.00 21.10 O ATOM 931 CB ARG A 61 15.306 -2.603 -23.428 1.00 72.53 C ATOM 932 CG ARG A 61 16.580 -2.709 -22.606 1.00 70.04 C ATOM 933 CD ARG A 61 17.669 -3.455 -23.361 1.00 4.11 C ATOM 934 NE ARG A 61 17.173 -4.692 -23.958 1.00 50.21 N ATOM 935 CZ ARG A 61 17.881 -5.438 -24.798 1.00 25.52 C ATOM 936 NH1 ARG A 61 19.111 -5.076 -25.137 1.00 52.31 N ATOM 937 NH2 ARG A 61 17.361 -6.551 -25.299 1.00 54.05 N ATOM 0 H ARG A 61 14.224 -2.708 -21.213 1.00 10.00 H new ATOM 0 HA ARG A 61 14.892 -0.582 -22.826 1.00 42.00 H new ATOM 0 HB2 ARG A 61 14.793 -3.565 -23.413 1.00 72.53 H new ATOM 0 HB3 ARG A 61 15.569 -2.398 -24.466 1.00 72.53 H new ATOM 0 HG2 ARG A 61 16.933 -1.710 -22.349 1.00 70.04 H new ATOM 0 HG3 ARG A 61 16.368 -3.223 -21.669 1.00 70.04 H new ATOM 0 HD2 ARG A 61 18.073 -2.812 -24.143 1.00 4.11 H new ATOM 0 HD3 ARG A 61 18.489 -3.684 -22.681 1.00 4.11 H new ATOM 0 HE ARG A 61 16.231 -5.000 -23.717 1.00 50.21 H new ATOM 0 HH11 ARG A 61 19.516 -4.222 -24.752 1.00 52.31 H new ATOM 0 HH12 ARG A 61 19.652 -5.651 -25.782 1.00 52.31 H new ATOM 0 HH21 ARG A 61 16.416 -6.835 -25.039 1.00 54.05 H new ATOM 0 HH22 ARG A 61 17.906 -7.123 -25.944 1.00 54.05 H new ATOM 951 N LEU A 62 12.259 -2.220 -23.953 1.00 3.21 N ATOM 952 CA LEU A 62 11.134 -2.137 -24.877 1.00 35.51 C ATOM 953 C LEU A 62 10.357 -0.840 -24.675 1.00 44.14 C ATOM 954 O LEU A 62 10.154 -0.074 -25.618 1.00 5.10 O ATOM 955 CB LEU A 62 10.203 -3.337 -24.686 1.00 40.52 C ATOM 956 CG LEU A 62 8.926 -3.336 -25.527 1.00 50.52 C ATOM 957 CD1 LEU A 62 8.732 -4.683 -26.204 1.00 75.51 C ATOM 958 CD2 LEU A 62 7.720 -2.990 -24.666 1.00 21.55 C ATOM 0 H LEU A 62 12.229 -3.022 -23.323 1.00 3.21 H new ATOM 0 HA LEU A 62 11.529 -2.148 -25.893 1.00 35.51 H new ATOM 0 HB2 LEU A 62 10.762 -4.245 -24.912 1.00 40.52 H new ATOM 0 HB3 LEU A 62 9.922 -3.389 -23.634 1.00 40.52 H new ATOM 0 HG LEU A 62 9.024 -2.575 -26.301 1.00 50.52 H new ATOM 0 HD11 LEU A 62 7.818 -4.663 -26.798 1.00 75.51 H new ATOM 0 HD12 LEU A 62 9.583 -4.890 -26.853 1.00 75.51 H new ATOM 0 HD13 LEU A 62 8.656 -5.463 -25.447 1.00 75.51 H new ATOM 0 HD21 LEU A 62 6.820 -2.994 -25.281 1.00 21.55 H new ATOM 0 HD22 LEU A 62 7.618 -3.727 -23.869 1.00 21.55 H new ATOM 0 HD23 LEU A 62 7.856 -2.001 -24.229 1.00 21.55 H new ATOM 970 N ILE A 63 9.928 -0.599 -23.441 1.00 40.03 N ATOM 971 CA ILE A 63 9.178 0.607 -23.116 1.00 55.50 C ATOM 972 C ILE A 63 9.969 1.861 -23.475 1.00 73.42 C ATOM 973 O ILE A 63 9.458 2.758 -24.147 1.00 23.24 O ATOM 974 CB ILE A 63 8.811 0.656 -21.621 1.00 52.40 C ATOM 975 CG1 ILE A 63 7.687 -0.337 -21.316 1.00 45.23 C ATOM 976 CG2 ILE A 63 8.401 2.066 -21.222 1.00 43.30 C ATOM 977 CD1 ILE A 63 7.382 -0.469 -19.841 1.00 32.32 C ATOM 0 H ILE A 63 10.087 -1.223 -22.650 1.00 40.03 H new ATOM 0 HA ILE A 63 8.262 0.577 -23.706 1.00 55.50 H new ATOM 0 HB ILE A 63 9.688 0.374 -21.038 1.00 52.40 H new ATOM 0 HG12 ILE A 63 6.784 -0.023 -21.839 1.00 45.23 H new ATOM 0 HG13 ILE A 63 7.960 -1.315 -21.711 1.00 45.23 H new ATOM 0 HG21 ILE A 63 8.145 2.084 -20.163 1.00 43.30 H new ATOM 0 HG22 ILE A 63 9.228 2.752 -21.407 1.00 43.30 H new ATOM 0 HG23 ILE A 63 7.536 2.374 -21.810 1.00 43.30 H new ATOM 0 HD11 ILE A 63 6.576 -1.189 -19.699 1.00 32.32 H new ATOM 0 HD12 ILE A 63 8.272 -0.813 -19.315 1.00 32.32 H new ATOM 0 HD13 ILE A 63 7.078 0.500 -19.444 1.00 32.32 H new ATOM 989 N ILE A 64 11.218 1.914 -23.025 1.00 53.31 N ATOM 990 CA ILE A 64 12.080 3.056 -23.302 1.00 4.14 C ATOM 991 C ILE A 64 12.173 3.325 -24.800 1.00 14.42 C ATOM 992 O ILE A 64 12.073 4.470 -25.243 1.00 75.11 O ATOM 993 CB ILE A 64 13.499 2.839 -22.742 1.00 72.54 C ATOM 994 CG1 ILE A 64 13.468 2.804 -21.213 1.00 51.30 C ATOM 995 CG2 ILE A 64 14.436 3.932 -23.234 1.00 74.34 C ATOM 996 CD1 ILE A 64 14.308 1.697 -20.616 1.00 42.12 C ATOM 0 H ILE A 64 11.655 1.180 -22.468 1.00 53.31 H new ATOM 0 HA ILE A 64 11.630 3.917 -22.808 1.00 4.14 H new ATOM 0 HB ILE A 64 13.872 1.880 -23.101 1.00 72.54 H new ATOM 0 HG12 ILE A 64 13.818 3.762 -20.829 1.00 51.30 H new ATOM 0 HG13 ILE A 64 12.436 2.685 -20.881 1.00 51.30 H new ATOM 0 HG21 ILE A 64 15.434 3.765 -22.830 1.00 74.34 H new ATOM 0 HG22 ILE A 64 14.478 3.913 -24.323 1.00 74.34 H new ATOM 0 HG23 ILE A 64 14.068 4.903 -22.902 1.00 74.34 H new ATOM 0 HD11 ILE A 64 14.238 1.733 -19.529 1.00 42.12 H new ATOM 0 HD12 ILE A 64 13.944 0.733 -20.971 1.00 42.12 H new ATOM 0 HD13 ILE A 64 15.348 1.826 -20.917 1.00 42.12 H new ATOM 1008 N HIS A 65 12.362 2.263 -25.576 1.00 3.01 N ATOM 1009 CA HIS A 65 12.465 2.384 -27.026 1.00 4.22 C ATOM 1010 C HIS A 65 11.197 2.998 -27.611 1.00 62.13 C ATOM 1011 O HIS A 65 11.251 3.747 -28.587 1.00 0.23 O ATOM 1012 CB HIS A 65 12.721 1.015 -27.656 1.00 62.12 C ATOM 1013 CG HIS A 65 13.754 1.038 -28.740 1.00 44.22 C ATOM 1014 ND1 HIS A 65 15.093 0.802 -28.509 1.00 61.32 N ATOM 1015 CD2 HIS A 65 13.639 1.270 -30.069 1.00 13.33 C ATOM 1016 CE1 HIS A 65 15.756 0.889 -29.648 1.00 64.03 C ATOM 1017 NE2 HIS A 65 14.897 1.172 -30.610 1.00 73.04 N ATOM 0 H HIS A 65 12.447 1.309 -25.225 1.00 3.01 H new ATOM 0 HA HIS A 65 13.304 3.042 -27.253 1.00 4.22 H new ATOM 0 HB2 HIS A 65 13.038 0.320 -26.878 1.00 62.12 H new ATOM 0 HB3 HIS A 65 11.786 0.632 -28.065 1.00 62.12 H new ATOM 0 HD2 HIS A 65 12.727 1.491 -30.604 1.00 13.33 H new ATOM 0 HE1 HIS A 65 16.820 0.752 -29.772 1.00 64.03 H new ATOM 0 HE2 HIS A 65 15.130 1.297 -31.595 1.00 73.04 H new ATOM 1025 N PHE A 66 10.057 2.675 -27.010 1.00 21.41 N ATOM 1026 CA PHE A 66 8.775 3.193 -27.473 1.00 31.32 C ATOM 1027 C PHE A 66 8.673 4.695 -27.223 1.00 61.42 C ATOM 1028 O PHE A 66 8.240 5.451 -28.093 1.00 2.24 O ATOM 1029 CB PHE A 66 7.625 2.468 -26.770 1.00 54.44 C ATOM 1030 CG PHE A 66 7.197 1.208 -27.466 1.00 34.34 C ATOM 1031 CD1 PHE A 66 6.589 1.259 -28.710 1.00 32.14 C ATOM 1032 CD2 PHE A 66 7.402 -0.029 -26.875 1.00 15.33 C ATOM 1033 CE1 PHE A 66 6.194 0.101 -29.352 1.00 70.43 C ATOM 1034 CE2 PHE A 66 7.009 -1.190 -27.513 1.00 23.33 C ATOM 1035 CZ PHE A 66 6.404 -1.125 -28.752 1.00 73.54 C ATOM 0 H PHE A 66 9.995 2.057 -26.201 1.00 21.41 H new ATOM 0 HA PHE A 66 8.705 3.016 -28.546 1.00 31.32 H new ATOM 0 HB2 PHE A 66 7.927 2.226 -25.751 1.00 54.44 H new ATOM 0 HB3 PHE A 66 6.771 3.142 -26.698 1.00 54.44 H new ATOM 0 HD1 PHE A 66 6.422 2.215 -29.183 1.00 32.14 H new ATOM 0 HD2 PHE A 66 7.874 -0.086 -25.905 1.00 15.33 H new ATOM 0 HE1 PHE A 66 5.722 0.155 -30.322 1.00 70.43 H new ATOM 0 HE2 PHE A 66 7.175 -2.148 -27.042 1.00 23.33 H new ATOM 0 HZ PHE A 66 6.095 -2.031 -29.251 1.00 73.54 H new ATOM 1045 N ARG A 67 9.075 5.118 -26.029 1.00 55.52 N ATOM 1046 CA ARG A 67 9.027 6.529 -25.664 1.00 21.04 C ATOM 1047 C ARG A 67 9.905 7.362 -26.594 1.00 34.52 C ATOM 1048 O ARG A 67 9.561 8.491 -26.942 1.00 13.34 O ATOM 1049 CB ARG A 67 9.479 6.718 -24.214 1.00 62.44 C ATOM 1050 CG ARG A 67 8.509 6.145 -23.194 1.00 73.03 C ATOM 1051 CD ARG A 67 9.242 5.503 -22.027 1.00 61.52 C ATOM 1052 NE ARG A 67 9.285 6.378 -20.859 1.00 42.12 N ATOM 1053 CZ ARG A 67 8.234 6.623 -20.085 1.00 52.22 C ATOM 1054 NH1 ARG A 67 7.063 6.061 -20.354 1.00 3.31 N ATOM 1055 NH2 ARG A 67 8.352 7.432 -19.040 1.00 21.43 N ATOM 0 H ARG A 67 9.437 4.505 -25.299 1.00 55.52 H new ATOM 0 HA ARG A 67 7.996 6.869 -25.764 1.00 21.04 H new ATOM 0 HB2 ARG A 67 10.453 6.247 -24.082 1.00 62.44 H new ATOM 0 HB3 ARG A 67 9.611 7.782 -24.019 1.00 62.44 H new ATOM 0 HG2 ARG A 67 7.858 6.937 -22.824 1.00 73.03 H new ATOM 0 HG3 ARG A 67 7.869 5.405 -23.675 1.00 73.03 H new ATOM 0 HD2 ARG A 67 8.750 4.567 -21.761 1.00 61.52 H new ATOM 0 HD3 ARG A 67 10.259 5.254 -22.331 1.00 61.52 H new ATOM 0 HE ARG A 67 10.171 6.826 -20.625 1.00 42.12 H new ATOM 0 HH11 ARG A 67 6.968 5.439 -21.157 1.00 3.31 H new ATOM 0 HH12 ARG A 67 6.257 6.251 -19.758 1.00 3.31 H new ATOM 0 HH21 ARG A 67 9.251 7.867 -18.830 1.00 21.43 H new ATOM 0 HH22 ARG A 67 7.544 7.619 -18.446 1.00 21.43 H new ATOM 1069 N ASP A 68 11.039 6.796 -26.992 1.00 74.11 N ATOM 1070 CA ASP A 68 11.966 7.485 -27.882 1.00 55.23 C ATOM 1071 C ASP A 68 11.357 7.660 -29.270 1.00 65.35 C ATOM 1072 O ASP A 68 11.368 8.757 -29.830 1.00 23.41 O ATOM 1073 CB ASP A 68 13.281 6.712 -27.982 1.00 22.32 C ATOM 1074 CG ASP A 68 14.436 7.448 -27.332 1.00 21.34 C ATOM 1075 OD1 ASP A 68 14.694 8.606 -27.719 1.00 45.05 O ATOM 1076 OD2 ASP A 68 15.082 6.865 -26.435 1.00 43.04 O ATOM 0 H ASP A 68 11.338 5.862 -26.712 1.00 74.11 H new ATOM 0 HA ASP A 68 12.166 8.472 -27.465 1.00 55.23 H new ATOM 0 HB2 ASP A 68 13.163 5.737 -27.509 1.00 22.32 H new ATOM 0 HB3 ASP A 68 13.514 6.531 -29.031 1.00 22.32 H new ATOM 1081 N ILE A 69 10.829 6.572 -29.820 1.00 64.45 N ATOM 1082 CA ILE A 69 10.217 6.605 -31.143 1.00 22.01 C ATOM 1083 C ILE A 69 9.182 7.720 -31.241 1.00 75.12 C ATOM 1084 O ILE A 69 9.169 8.487 -32.204 1.00 42.52 O ATOM 1085 CB ILE A 69 9.544 5.263 -31.486 1.00 21.23 C ATOM 1086 CG1 ILE A 69 10.574 4.132 -31.467 1.00 62.54 C ATOM 1087 CG2 ILE A 69 8.862 5.344 -32.843 1.00 62.23 C ATOM 1088 CD1 ILE A 69 10.004 2.802 -31.026 1.00 13.04 C ATOM 0 H ILE A 69 10.813 5.657 -29.370 1.00 64.45 H new ATOM 0 HA ILE A 69 11.019 6.792 -31.857 1.00 22.01 H new ATOM 0 HB ILE A 69 8.785 5.050 -30.733 1.00 21.23 H new ATOM 0 HG12 ILE A 69 11.000 4.023 -32.464 1.00 62.54 H new ATOM 0 HG13 ILE A 69 11.391 4.407 -30.800 1.00 62.54 H new ATOM 0 HG21 ILE A 69 8.391 4.388 -33.071 1.00 62.23 H new ATOM 0 HG22 ILE A 69 8.103 6.126 -32.823 1.00 62.23 H new ATOM 0 HG23 ILE A 69 9.602 5.576 -33.609 1.00 62.23 H new ATOM 0 HD11 ILE A 69 10.791 2.048 -31.037 1.00 13.04 H new ATOM 0 HD12 ILE A 69 9.604 2.895 -30.016 1.00 13.04 H new ATOM 0 HD13 ILE A 69 9.206 2.504 -31.707 1.00 13.04 H new ATOM 1100 N HIS A 70 8.314 7.805 -30.237 1.00 62.25 N ATOM 1101 CA HIS A 70 7.275 8.828 -30.209 1.00 43.23 C ATOM 1102 C HIS A 70 7.855 10.180 -29.804 1.00 21.15 C ATOM 1103 O HIS A 70 7.311 11.228 -30.148 1.00 61.15 O ATOM 1104 CB HIS A 70 6.161 8.427 -29.242 1.00 51.23 C ATOM 1105 CG HIS A 70 5.149 9.508 -29.013 1.00 23.41 C ATOM 1106 ND1 HIS A 70 5.018 10.173 -27.812 1.00 71.22 N ATOM 1107 CD2 HIS A 70 4.219 10.039 -29.840 1.00 13.03 C ATOM 1108 CE1 HIS A 70 4.049 11.065 -27.910 1.00 11.52 C ATOM 1109 NE2 HIS A 70 3.548 11.005 -29.130 1.00 71.24 N ATOM 0 H HIS A 70 8.310 7.178 -29.433 1.00 62.25 H new ATOM 0 HA HIS A 70 6.859 8.917 -31.213 1.00 43.23 H new ATOM 0 HB2 HIS A 70 5.655 7.543 -29.630 1.00 51.23 H new ATOM 0 HB3 HIS A 70 6.604 8.147 -28.286 1.00 51.23 H new ATOM 0 HD2 HIS A 70 4.038 9.756 -30.866 1.00 13.03 H new ATOM 0 HE1 HIS A 70 3.722 11.731 -27.125 1.00 11.52 H new ATOM 0 HE2 HIS A 70 2.787 11.582 -29.487 1.00 71.24 H new ATOM 1117 N ASN A 71 8.962 10.147 -29.068 1.00 72.03 N ATOM 1118 CA ASN A 71 9.614 11.370 -28.614 1.00 65.34 C ATOM 1119 C ASN A 71 10.151 12.171 -29.797 1.00 12.13 C ATOM 1120 O ASN A 71 10.211 13.400 -29.752 1.00 4.01 O ATOM 1121 CB ASN A 71 10.755 11.036 -27.651 1.00 11.14 C ATOM 1122 CG ASN A 71 11.638 12.235 -27.363 1.00 30.02 C ATOM 1123 OD1 ASN A 71 12.540 12.555 -28.137 1.00 2.43 O ATOM 1124 ND2 ASN A 71 11.381 12.904 -26.245 1.00 23.13 N ATOM 0 H ASN A 71 9.426 9.287 -28.774 1.00 72.03 H new ATOM 0 HA ASN A 71 8.873 11.976 -28.093 1.00 65.34 H new ATOM 0 HB2 ASN A 71 10.339 10.661 -26.716 1.00 11.14 H new ATOM 0 HB3 ASN A 71 11.361 10.235 -28.074 1.00 11.14 H new ATOM 0 HD21 ASN A 71 11.942 13.720 -25.998 1.00 23.13 H new ATOM 0 HD22 ASN A 71 10.623 12.602 -25.633 1.00 23.13 H new ATOM 1131 N LYS A 72 10.539 11.467 -30.854 1.00 72.15 N ATOM 1132 CA LYS A 72 11.069 12.111 -32.051 1.00 35.24 C ATOM 1133 C LYS A 72 10.114 13.187 -32.557 1.00 52.21 C ATOM 1134 O LYS A 72 8.967 13.271 -32.118 1.00 13.22 O ATOM 1135 CB LYS A 72 11.312 11.073 -33.148 1.00 62.32 C ATOM 1136 CG LYS A 72 12.359 10.035 -32.782 1.00 43.14 C ATOM 1137 CD LYS A 72 13.622 10.200 -33.612 1.00 55.02 C ATOM 1138 CE LYS A 72 14.515 11.297 -33.055 1.00 43.40 C ATOM 1139 NZ LYS A 72 15.377 10.801 -31.947 1.00 4.32 N ATOM 0 H LYS A 72 10.497 10.449 -30.907 1.00 72.15 H new ATOM 0 HA LYS A 72 12.016 12.584 -31.791 1.00 35.24 H new ATOM 0 HB2 LYS A 72 10.373 10.567 -33.372 1.00 62.32 H new ATOM 0 HB3 LYS A 72 11.623 11.585 -34.059 1.00 62.32 H new ATOM 0 HG2 LYS A 72 12.604 10.122 -31.723 1.00 43.14 H new ATOM 0 HG3 LYS A 72 11.951 9.036 -32.934 1.00 43.14 H new ATOM 0 HD2 LYS A 72 14.171 9.258 -33.633 1.00 55.02 H new ATOM 0 HD3 LYS A 72 13.354 10.436 -34.642 1.00 55.02 H new ATOM 0 HE2 LYS A 72 15.142 11.695 -33.853 1.00 43.40 H new ATOM 0 HE3 LYS A 72 13.898 12.120 -32.694 1.00 43.40 H new ATOM 0 HZ1 LYS A 72 15.971 11.579 -31.594 1.00 4.32 H new ATOM 0 HZ2 LYS A 72 14.779 10.444 -31.175 1.00 4.32 H new ATOM 0 HZ3 LYS A 72 15.985 10.033 -32.297 1.00 4.32 H new ATOM 1153 N LYS A 73 10.594 14.008 -33.485 1.00 12.30 N ATOM 1154 CA LYS A 73 9.783 15.078 -34.054 1.00 50.02 C ATOM 1155 C LYS A 73 8.449 14.539 -34.561 1.00 20.12 C ATOM 1156 O LYS A 73 8.383 13.917 -35.621 1.00 35.42 O ATOM 1157 CB LYS A 73 10.535 15.763 -35.197 1.00 44.22 C ATOM 1158 CG LYS A 73 10.426 17.278 -35.176 1.00 13.04 C ATOM 1159 CD LYS A 73 9.690 17.801 -36.398 1.00 3.30 C ATOM 1160 CE LYS A 73 10.620 17.929 -37.595 1.00 75.24 C ATOM 1161 NZ LYS A 73 10.708 19.334 -38.081 1.00 63.45 N ATOM 0 H LYS A 73 11.541 13.953 -33.859 1.00 12.30 H new ATOM 0 HA LYS A 73 9.586 15.807 -33.268 1.00 50.02 H new ATOM 0 HB2 LYS A 73 11.587 15.482 -35.148 1.00 44.22 H new ATOM 0 HB3 LYS A 73 10.150 15.393 -36.147 1.00 44.22 H new ATOM 0 HG2 LYS A 73 9.904 17.594 -34.273 1.00 13.04 H new ATOM 0 HG3 LYS A 73 11.424 17.715 -35.136 1.00 13.04 H new ATOM 0 HD2 LYS A 73 8.868 17.129 -36.645 1.00 3.30 H new ATOM 0 HD3 LYS A 73 9.251 18.772 -36.172 1.00 3.30 H new ATOM 0 HE2 LYS A 73 11.614 17.576 -37.322 1.00 75.24 H new ATOM 0 HE3 LYS A 73 10.265 17.287 -38.401 1.00 75.24 H new ATOM 0 HZ1 LYS A 73 11.351 19.379 -38.897 1.00 63.45 H new ATOM 0 HZ2 LYS A 73 9.763 19.663 -38.366 1.00 63.45 H new ATOM 0 HZ3 LYS A 73 11.071 19.943 -37.320 1.00 63.45 H new ATOM 1175 N SER A 74 7.389 14.783 -33.797 1.00 52.13 N ATOM 1176 CA SER A 74 6.057 14.320 -34.168 1.00 73.01 C ATOM 1177 C SER A 74 4.981 15.130 -33.451 1.00 72.11 C ATOM 1178 O SER A 74 3.973 14.583 -33.004 1.00 51.22 O ATOM 1179 CB SER A 74 5.899 12.835 -33.836 1.00 23.10 C ATOM 1180 OG SER A 74 6.555 12.025 -34.796 1.00 44.22 O ATOM 0 H SER A 74 7.427 15.298 -32.918 1.00 52.13 H new ATOM 0 HA SER A 74 5.937 14.460 -35.242 1.00 73.01 H new ATOM 0 HB2 SER A 74 6.309 12.635 -32.846 1.00 23.10 H new ATOM 0 HB3 SER A 74 4.840 12.578 -33.801 1.00 23.10 H new ATOM 0 HG SER A 74 7.195 12.569 -35.301 1.00 44.22 H new ATOM 1186 N GLN A 75 5.204 16.436 -33.346 1.00 31.10 N ATOM 1187 CA GLN A 75 4.254 17.322 -32.683 1.00 22.42 C ATOM 1188 C GLN A 75 4.009 16.878 -31.244 1.00 60.14 C ATOM 1189 O GLN A 75 2.902 16.474 -30.889 1.00 41.14 O ATOM 1190 CB GLN A 75 2.932 17.354 -33.452 1.00 22.14 C ATOM 1191 CG GLN A 75 2.098 18.595 -33.176 1.00 64.21 C ATOM 1192 CD GLN A 75 2.369 19.711 -34.165 1.00 4.40 C ATOM 1193 OE1 GLN A 75 3.490 20.213 -34.261 1.00 61.52 O ATOM 1194 NE2 GLN A 75 1.342 20.108 -34.907 1.00 60.31 N ATOM 0 H GLN A 75 6.034 16.904 -33.711 1.00 31.10 H new ATOM 0 HA GLN A 75 4.681 18.325 -32.667 1.00 22.42 H new ATOM 0 HB2 GLN A 75 3.141 17.297 -34.520 1.00 22.14 H new ATOM 0 HB3 GLN A 75 2.349 16.470 -33.194 1.00 22.14 H new ATOM 0 HG2 GLN A 75 1.041 18.333 -33.211 1.00 64.21 H new ATOM 0 HG3 GLN A 75 2.305 18.951 -32.167 1.00 64.21 H new ATOM 0 HE21 GLN A 75 0.430 19.665 -34.795 1.00 60.31 H new ATOM 0 HE22 GLN A 75 1.465 20.856 -35.589 1.00 60.31 H new ATOM 1203 N ALA A 76 5.049 16.956 -30.421 1.00 23.50 N ATOM 1204 CA ALA A 76 4.946 16.563 -29.021 1.00 1.51 C ATOM 1205 C ALA A 76 5.478 17.659 -28.103 1.00 54.43 C ATOM 1206 O ALA A 76 5.892 18.722 -28.566 1.00 13.55 O ATOM 1207 CB ALA A 76 5.696 15.262 -28.781 1.00 21.43 C ATOM 0 H ALA A 76 5.973 17.288 -30.699 1.00 23.50 H new ATOM 0 HA ALA A 76 3.892 16.410 -28.789 1.00 1.51 H new ATOM 0 HB1 ALA A 76 5.610 14.981 -27.731 1.00 21.43 H new ATOM 0 HB2 ALA A 76 5.269 14.476 -29.403 1.00 21.43 H new ATOM 0 HB3 ALA A 76 6.747 15.396 -29.036 1.00 21.43 H new ATOM 1213 N SER A 77 5.462 17.394 -26.801 1.00 63.41 N ATOM 1214 CA SER A 77 5.939 18.360 -25.818 1.00 72.41 C ATOM 1215 C SER A 77 6.602 17.653 -24.640 1.00 0.24 C ATOM 1216 O SER A 77 5.929 17.047 -23.805 1.00 43.44 O ATOM 1217 CB SER A 77 4.781 19.227 -25.321 1.00 75.13 C ATOM 1218 OG SER A 77 3.578 18.481 -25.253 1.00 33.14 O ATOM 0 H SER A 77 5.124 16.518 -26.402 1.00 63.41 H new ATOM 0 HA SER A 77 6.680 18.998 -26.301 1.00 72.41 H new ATOM 0 HB2 SER A 77 5.020 19.628 -24.336 1.00 75.13 H new ATOM 0 HB3 SER A 77 4.647 20.078 -25.988 1.00 75.13 H new ATOM 0 HG SER A 77 2.854 19.057 -24.931 1.00 33.14 H new ATOM 1224 N VAL A 78 7.927 17.736 -24.578 1.00 63.20 N ATOM 1225 CA VAL A 78 8.683 17.106 -23.502 1.00 44.20 C ATOM 1226 C VAL A 78 9.704 18.071 -22.910 1.00 10.44 C ATOM 1227 O VAL A 78 9.429 19.260 -22.748 1.00 54.22 O ATOM 1228 CB VAL A 78 9.414 15.842 -23.994 1.00 54.51 C ATOM 1229 CG1 VAL A 78 8.428 14.703 -24.203 1.00 53.24 C ATOM 1230 CG2 VAL A 78 10.182 16.136 -25.274 1.00 74.21 C ATOM 0 H VAL A 78 8.499 18.233 -25.260 1.00 63.20 H new ATOM 0 HA VAL A 78 7.964 16.825 -22.733 1.00 44.20 H new ATOM 0 HB VAL A 78 10.129 15.536 -23.231 1.00 54.51 H new ATOM 0 HG11 VAL A 78 8.962 13.819 -24.550 1.00 53.24 H new ATOM 0 HG12 VAL A 78 7.927 14.478 -23.261 1.00 53.24 H new ATOM 0 HG13 VAL A 78 7.687 14.995 -24.947 1.00 53.24 H new ATOM 0 HG21 VAL A 78 10.692 15.233 -25.608 1.00 74.21 H new ATOM 0 HG22 VAL A 78 9.488 16.467 -26.047 1.00 74.21 H new ATOM 0 HG23 VAL A 78 10.916 16.919 -25.086 1.00 74.21 H new TER 1240 VAL A 78