USER MOD reduce.3.24.130724 H: found=0, std=0, add=627, rem=0, adj=16 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 126:sc= -0.0835 USER MOD Set 1.2: A 41 MET CE :methyl -145:sc= -4.67! (180deg=-6.99!) USER MOD Set 2.1: A 17 GLN : amide:sc= -1.78! C(o=-1.8!,f=-1.8!) USER MOD Set 2.2: A 21 SER OG : rot -160:sc= -0.0097 USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0.375 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.0305 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= -0.295 X(o=-0.3,f=-0.61) USER MOD Single : A 27 MET CE :methyl 134:sc= -1.44 (180deg=-6.8!) USER MOD Single : A 29 LYS NZ :NH3+ 165:sc= -0.0653 (180deg=-0.358) USER MOD Single : A 34 HIS : no HD1:sc= -0.249 K(o=-0.25,f=-1.1) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= -0.0767 USER MOD Single : A 38 SER OG : rot -138:sc= 0.381 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 HIS : no HD1:sc= 0 X(o=0,f=-0.045) 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 105:sc= -0.674 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 65 HIS : no HD1:sc= -0.0597 X(o=-0.06,f=0) USER MOD Single : A 70 HIS : no HD1:sc= -1.9 X(o=-1.9,f=-1.7) USER MOD Single : A 71 ASN : amide:sc= -0.0362 X(o=-0.036,f=-0.19) 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 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= -0.477 K(o=-0.48,f=-3.9!) USER MOD Single : A 77 SER OG : rot 180:sc= -0.0131 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 2 6.482 3.137 -9.926 1.00 44.43 N ATOM 2 CA GLY A 2 7.314 2.014 -9.536 1.00 34.33 C ATOM 3 C GLY A 2 7.125 1.631 -8.081 1.00 71.12 C ATOM 4 O GLY A 2 8.068 1.199 -7.419 1.00 32.02 O ATOM 0 HA2 GLY A 2 7.081 1.157 -10.168 1.00 34.33 H new ATOM 0 HA3 GLY A 2 8.361 2.263 -9.710 1.00 34.33 H new ATOM 8 N ALA A 3 5.903 1.791 -7.583 1.00 25.05 N ATOM 9 CA ALA A 3 5.594 1.459 -6.197 1.00 63.44 C ATOM 10 C ALA A 3 5.578 -0.051 -5.986 1.00 22.44 C ATOM 11 O ALA A 3 4.964 -0.789 -6.755 1.00 55.14 O ATOM 12 CB ALA A 3 4.258 2.064 -5.795 1.00 52.30 C ATOM 0 H ALA A 3 5.111 2.148 -8.118 1.00 25.05 H new ATOM 0 HA ALA A 3 6.376 1.880 -5.565 1.00 63.44 H new ATOM 0 HB1 ALA A 3 4.040 1.808 -4.758 1.00 52.30 H new ATOM 0 HB2 ALA A 3 4.303 3.148 -5.899 1.00 52.30 H new ATOM 0 HB3 ALA A 3 3.472 1.670 -6.439 1.00 52.30 H new ATOM 18 N MET A 4 6.258 -0.505 -4.938 1.00 3.55 N ATOM 19 CA MET A 4 6.321 -1.928 -4.625 1.00 1.40 C ATOM 20 C MET A 4 7.015 -2.700 -5.743 1.00 2.54 C ATOM 21 O MET A 4 6.414 -2.989 -6.776 1.00 43.44 O ATOM 22 CB MET A 4 4.914 -2.485 -4.402 1.00 30.11 C ATOM 23 CG MET A 4 4.863 -3.622 -3.394 1.00 45.01 C ATOM 24 SD MET A 4 3.367 -4.616 -3.543 1.00 34.11 S ATOM 25 CE MET A 4 2.373 -3.932 -2.219 1.00 53.23 C ATOM 0 H MET A 4 6.773 0.092 -4.291 1.00 3.55 H new ATOM 0 HA MET A 4 6.901 -2.048 -3.710 1.00 1.40 H new ATOM 0 HB2 MET A 4 4.263 -1.680 -4.062 1.00 30.11 H new ATOM 0 HB3 MET A 4 4.516 -2.836 -5.354 1.00 30.11 H new ATOM 0 HG2 MET A 4 5.735 -4.262 -3.530 1.00 45.01 H new ATOM 0 HG3 MET A 4 4.923 -3.212 -2.386 1.00 45.01 H new ATOM 0 HE1 MET A 4 1.412 -4.446 -2.183 1.00 53.23 H new ATOM 0 HE2 MET A 4 2.891 -4.064 -1.269 1.00 53.23 H new ATOM 0 HE3 MET A 4 2.210 -2.869 -2.398 1.00 53.23 H new ATOM 35 N GLY A 5 8.285 -3.030 -5.527 1.00 70.44 N ATOM 36 CA GLY A 5 9.039 -3.765 -6.526 1.00 25.32 C ATOM 37 C GLY A 5 10.196 -4.539 -5.925 1.00 5.41 C ATOM 38 O GLY A 5 11.336 -4.407 -6.370 1.00 2.22 O ATOM 0 H GLY A 5 8.804 -2.802 -4.679 1.00 70.44 H new ATOM 0 HA2 GLY A 5 8.373 -4.456 -7.044 1.00 25.32 H new ATOM 0 HA3 GLY A 5 9.420 -3.069 -7.274 1.00 25.32 H new ATOM 42 N GLN A 6 9.903 -5.346 -4.911 1.00 3.14 N ATOM 43 CA GLN A 6 10.929 -6.141 -4.247 1.00 25.14 C ATOM 44 C GLN A 6 10.368 -7.485 -3.793 1.00 2.43 C ATOM 45 O GLN A 6 9.597 -7.554 -2.837 1.00 15.22 O ATOM 46 CB GLN A 6 11.497 -5.381 -3.047 1.00 2.40 C ATOM 47 CG GLN A 6 12.600 -4.401 -3.414 1.00 53.43 C ATOM 48 CD GLN A 6 12.829 -3.352 -2.344 1.00 13.31 C ATOM 49 OE1 GLN A 6 13.683 -3.514 -1.472 1.00 42.13 O ATOM 50 NE2 GLN A 6 12.064 -2.267 -2.404 1.00 65.52 N ATOM 0 H GLN A 6 8.964 -5.467 -4.531 1.00 3.14 H new ATOM 0 HA GLN A 6 11.730 -6.325 -4.963 1.00 25.14 H new ATOM 0 HB2 GLN A 6 10.689 -4.839 -2.556 1.00 2.40 H new ATOM 0 HB3 GLN A 6 11.885 -6.098 -2.324 1.00 2.40 H new ATOM 0 HG2 GLN A 6 13.526 -4.950 -3.584 1.00 53.43 H new ATOM 0 HG3 GLN A 6 12.345 -3.908 -4.352 1.00 53.43 H new ATOM 0 HE21 GLN A 6 11.368 -2.174 -3.144 1.00 65.52 H new ATOM 0 HE22 GLN A 6 12.173 -1.527 -1.710 1.00 65.52 H new ATOM 59 N GLU A 7 10.761 -8.549 -4.485 1.00 60.14 N ATOM 60 CA GLU A 7 10.295 -9.890 -4.153 1.00 62.31 C ATOM 61 C GLU A 7 10.965 -10.935 -5.041 1.00 43.44 C ATOM 62 O GLU A 7 11.582 -10.602 -6.054 1.00 71.23 O ATOM 63 CB GLU A 7 8.775 -9.978 -4.302 1.00 51.21 C ATOM 64 CG GLU A 7 8.040 -10.112 -2.979 1.00 24.42 C ATOM 65 CD GLU A 7 7.001 -9.027 -2.776 1.00 32.33 C ATOM 66 OE1 GLU A 7 6.256 -8.732 -3.733 1.00 52.12 O ATOM 67 OE2 GLU A 7 6.932 -8.474 -1.658 1.00 44.22 O ATOM 0 H GLU A 7 11.401 -8.509 -5.279 1.00 60.14 H new ATOM 0 HA GLU A 7 10.564 -10.093 -3.116 1.00 62.31 H new ATOM 0 HB2 GLU A 7 8.417 -9.087 -4.818 1.00 51.21 H new ATOM 0 HB3 GLU A 7 8.529 -10.832 -4.933 1.00 51.21 H new ATOM 0 HG2 GLU A 7 7.555 -11.087 -2.934 1.00 24.42 H new ATOM 0 HG3 GLU A 7 8.761 -10.077 -2.162 1.00 24.42 H new ATOM 74 N THR A 8 10.841 -12.200 -4.654 1.00 75.42 N ATOM 75 CA THR A 8 11.435 -13.294 -5.413 1.00 15.21 C ATOM 76 C THR A 8 10.368 -14.089 -6.158 1.00 24.13 C ATOM 77 O THR A 8 10.546 -15.275 -6.436 1.00 23.13 O ATOM 78 CB THR A 8 12.225 -14.248 -4.498 1.00 20.01 C ATOM 79 OG1 THR A 8 12.366 -13.672 -3.195 1.00 22.15 O ATOM 80 CG2 THR A 8 13.600 -14.541 -5.080 1.00 74.00 C ATOM 0 H THR A 8 10.334 -12.493 -3.819 1.00 75.42 H new ATOM 0 HA THR A 8 12.119 -12.845 -6.133 1.00 15.21 H new ATOM 0 HB THR A 8 11.673 -15.185 -4.423 1.00 20.01 H new ATOM 0 HG1 THR A 8 12.868 -14.285 -2.619 1.00 22.15 H new ATOM 0 HG21 THR A 8 14.139 -15.217 -4.416 1.00 74.00 H new ATOM 0 HG22 THR A 8 13.489 -15.006 -6.059 1.00 74.00 H new ATOM 0 HG23 THR A 8 14.158 -13.610 -5.182 1.00 74.00 H new ATOM 88 N ASP A 9 9.261 -13.429 -6.479 1.00 21.04 N ATOM 89 CA ASP A 9 8.166 -14.075 -7.193 1.00 42.44 C ATOM 90 C ASP A 9 7.670 -13.195 -8.337 1.00 10.35 C ATOM 91 O ASP A 9 6.546 -12.694 -8.304 1.00 72.24 O ATOM 92 CB ASP A 9 7.015 -14.384 -6.235 1.00 2.02 C ATOM 93 CG ASP A 9 6.788 -13.275 -5.226 1.00 23.52 C ATOM 94 OD1 ASP A 9 6.380 -12.170 -5.640 1.00 30.10 O ATOM 95 OD2 ASP A 9 7.018 -13.514 -4.022 1.00 1.41 O ATOM 0 H ASP A 9 9.098 -12.447 -6.256 1.00 21.04 H new ATOM 0 HA ASP A 9 8.539 -15.009 -7.612 1.00 42.44 H new ATOM 0 HB2 ASP A 9 6.102 -14.542 -6.808 1.00 2.02 H new ATOM 0 HB3 ASP A 9 7.225 -15.314 -5.707 1.00 2.02 H new ATOM 100 N TRP A 10 8.516 -13.010 -9.344 1.00 34.12 N ATOM 101 CA TRP A 10 8.163 -12.189 -10.497 1.00 20.33 C ATOM 102 C TRP A 10 7.205 -12.932 -11.421 1.00 71.22 C ATOM 103 O TRP A 10 6.703 -12.367 -12.393 1.00 72.52 O ATOM 104 CB TRP A 10 9.422 -11.785 -11.265 1.00 63.21 C ATOM 105 CG TRP A 10 10.024 -12.909 -12.053 1.00 21.54 C ATOM 106 CD1 TRP A 10 10.595 -14.045 -11.554 1.00 64.31 C ATOM 107 CD2 TRP A 10 10.116 -13.004 -13.478 1.00 74.33 C ATOM 108 NE1 TRP A 10 11.037 -14.841 -12.584 1.00 54.41 N ATOM 109 CE2 TRP A 10 10.753 -14.225 -13.774 1.00 43.15 C ATOM 110 CE3 TRP A 10 9.719 -12.178 -14.533 1.00 60.34 C ATOM 111 CZ2 TRP A 10 11.003 -14.636 -15.081 1.00 43.10 C ATOM 112 CZ3 TRP A 10 9.968 -12.588 -15.830 1.00 2.55 C ATOM 113 CH2 TRP A 10 10.605 -13.807 -16.095 1.00 34.44 C ATOM 0 H TRP A 10 9.450 -13.417 -9.386 1.00 34.12 H new ATOM 0 HA TRP A 10 7.664 -11.291 -10.134 1.00 20.33 H new ATOM 0 HB2 TRP A 10 9.179 -10.966 -11.942 1.00 63.21 H new ATOM 0 HB3 TRP A 10 10.163 -11.407 -10.561 1.00 63.21 H new ATOM 0 HD1 TRP A 10 10.686 -14.283 -10.504 1.00 64.31 H new ATOM 0 HE1 TRP A 10 11.501 -15.743 -12.479 1.00 54.41 H new ATOM 0 HE3 TRP A 10 9.227 -11.237 -14.339 1.00 60.34 H new ATOM 0 HZ2 TRP A 10 11.494 -15.576 -15.287 1.00 43.10 H new ATOM 0 HZ3 TRP A 10 9.666 -11.957 -16.653 1.00 2.55 H new ATOM 0 HH2 TRP A 10 10.786 -14.098 -17.119 1.00 34.44 H new ATOM 124 N ARG A 11 6.955 -14.200 -11.112 1.00 63.43 N ATOM 125 CA ARG A 11 6.058 -15.020 -11.917 1.00 35.31 C ATOM 126 C ARG A 11 4.621 -14.906 -11.416 1.00 11.14 C ATOM 127 O ARG A 11 3.684 -15.345 -12.082 1.00 55.41 O ATOM 128 CB ARG A 11 6.504 -16.483 -11.887 1.00 64.15 C ATOM 129 CG ARG A 11 7.985 -16.674 -12.175 1.00 54.31 C ATOM 130 CD ARG A 11 8.377 -18.142 -12.129 1.00 34.22 C ATOM 131 NE ARG A 11 8.587 -18.610 -10.761 1.00 43.33 N ATOM 132 CZ ARG A 11 9.674 -18.333 -10.049 1.00 52.42 C ATOM 133 NH1 ARG A 11 10.643 -17.594 -10.572 1.00 53.11 N ATOM 134 NH2 ARG A 11 9.792 -18.794 -8.811 1.00 25.22 N ATOM 0 H ARG A 11 7.361 -14.682 -10.310 1.00 63.43 H new ATOM 0 HA ARG A 11 6.098 -14.656 -12.944 1.00 35.31 H new ATOM 0 HB2 ARG A 11 6.276 -16.904 -10.908 1.00 64.15 H new ATOM 0 HB3 ARG A 11 5.925 -17.046 -12.619 1.00 64.15 H new ATOM 0 HG2 ARG A 11 8.222 -16.264 -13.157 1.00 54.31 H new ATOM 0 HG3 ARG A 11 8.573 -16.116 -11.446 1.00 54.31 H new ATOM 0 HD2 ARG A 11 7.598 -18.740 -12.601 1.00 34.22 H new ATOM 0 HD3 ARG A 11 9.289 -18.292 -12.707 1.00 34.22 H new ATOM 0 HE ARG A 11 7.860 -19.180 -10.329 1.00 43.33 H new ATOM 0 HH11 ARG A 11 10.555 -17.237 -11.523 1.00 53.11 H new ATOM 0 HH12 ARG A 11 11.476 -17.383 -10.023 1.00 53.11 H new ATOM 0 HH21 ARG A 11 9.048 -19.362 -8.405 1.00 25.22 H new ATOM 0 HH22 ARG A 11 10.627 -18.581 -8.265 1.00 25.22 H new ATOM 148 N SER A 12 4.456 -14.314 -10.237 1.00 22.21 N ATOM 149 CA SER A 12 3.135 -14.146 -9.644 1.00 34.01 C ATOM 150 C SER A 12 2.193 -13.431 -10.609 1.00 24.04 C ATOM 151 O SER A 12 2.601 -12.524 -11.336 1.00 31.42 O ATOM 152 CB SER A 12 3.236 -13.360 -8.335 1.00 52.24 C ATOM 153 OG SER A 12 2.879 -12.002 -8.527 1.00 53.14 O ATOM 0 H SER A 12 5.221 -13.943 -9.674 1.00 22.21 H new ATOM 0 HA SER A 12 2.730 -15.136 -9.434 1.00 34.01 H new ATOM 0 HB2 SER A 12 2.583 -13.809 -7.586 1.00 52.24 H new ATOM 0 HB3 SER A 12 4.253 -13.421 -7.948 1.00 52.24 H new ATOM 0 HG SER A 12 2.950 -11.522 -7.676 1.00 53.14 H new ATOM 159 N THR A 13 0.930 -13.846 -10.610 1.00 3.23 N ATOM 160 CA THR A 13 -0.070 -13.247 -11.485 1.00 21.43 C ATOM 161 C THR A 13 -0.081 -11.729 -11.349 1.00 60.15 C ATOM 162 O THR A 13 -0.036 -11.007 -12.345 1.00 60.53 O ATOM 163 CB THR A 13 -1.479 -13.789 -11.180 1.00 13.13 C ATOM 164 OG1 THR A 13 -1.407 -15.177 -10.836 1.00 1.04 O ATOM 165 CG2 THR A 13 -2.400 -13.605 -12.377 1.00 32.25 C ATOM 0 H THR A 13 0.576 -14.595 -10.015 1.00 3.23 H new ATOM 0 HA THR A 13 0.201 -13.515 -12.506 1.00 21.43 H new ATOM 0 HB THR A 13 -1.886 -13.228 -10.339 1.00 13.13 H new ATOM 0 HG1 THR A 13 -2.307 -15.513 -10.642 1.00 1.04 H new ATOM 0 HG21 THR A 13 -3.389 -13.995 -12.138 1.00 32.25 H new ATOM 0 HG22 THR A 13 -2.476 -12.545 -12.618 1.00 32.25 H new ATOM 0 HG23 THR A 13 -1.995 -14.143 -13.234 1.00 32.25 H new ATOM 173 N ALA A 14 -0.140 -11.250 -10.111 1.00 75.41 N ATOM 174 CA ALA A 14 -0.155 -9.817 -9.846 1.00 25.20 C ATOM 175 C ALA A 14 1.020 -9.122 -10.526 1.00 11.42 C ATOM 176 O ALA A 14 0.842 -8.129 -11.232 1.00 3.32 O ATOM 177 CB ALA A 14 -0.129 -9.557 -8.347 1.00 65.40 C ATOM 0 H ALA A 14 -0.178 -11.834 -9.275 1.00 75.41 H new ATOM 0 HA ALA A 14 -1.076 -9.405 -10.259 1.00 25.20 H new ATOM 0 HB1 ALA A 14 -0.141 -8.483 -8.164 1.00 65.40 H new ATOM 0 HB2 ALA A 14 -1.003 -10.014 -7.883 1.00 65.40 H new ATOM 0 HB3 ALA A 14 0.776 -9.988 -7.919 1.00 65.40 H new ATOM 183 N PHE A 15 2.220 -9.648 -10.308 1.00 23.41 N ATOM 184 CA PHE A 15 3.425 -9.077 -10.898 1.00 52.44 C ATOM 185 C PHE A 15 3.262 -8.904 -12.406 1.00 23.12 C ATOM 186 O PHE A 15 3.195 -7.783 -12.909 1.00 54.32 O ATOM 187 CB PHE A 15 4.635 -9.966 -10.603 1.00 13.50 C ATOM 188 CG PHE A 15 5.928 -9.207 -10.510 1.00 15.35 C ATOM 189 CD1 PHE A 15 6.478 -8.610 -11.632 1.00 5.21 C ATOM 190 CD2 PHE A 15 6.592 -9.091 -9.299 1.00 41.12 C ATOM 191 CE1 PHE A 15 7.668 -7.910 -11.549 1.00 71.43 C ATOM 192 CE2 PHE A 15 7.781 -8.392 -9.210 1.00 64.55 C ATOM 193 CZ PHE A 15 8.321 -7.803 -10.337 1.00 54.40 C ATOM 0 H PHE A 15 2.384 -10.470 -9.726 1.00 23.41 H new ATOM 0 HA PHE A 15 3.588 -8.096 -10.452 1.00 52.44 H new ATOM 0 HB2 PHE A 15 4.466 -10.497 -9.666 1.00 13.50 H new ATOM 0 HB3 PHE A 15 4.721 -10.720 -11.385 1.00 13.50 H new ATOM 0 HD1 PHE A 15 5.972 -8.692 -12.583 1.00 5.21 H new ATOM 0 HD2 PHE A 15 6.176 -9.552 -8.415 1.00 41.12 H new ATOM 0 HE1 PHE A 15 8.086 -7.448 -12.431 1.00 71.43 H new ATOM 0 HE2 PHE A 15 8.288 -8.306 -8.260 1.00 64.55 H new ATOM 0 HZ PHE A 15 9.252 -7.260 -10.270 1.00 54.40 H new ATOM 203 N ARG A 16 3.201 -10.023 -13.120 1.00 61.12 N ATOM 204 CA ARG A 16 3.049 -9.997 -14.570 1.00 15.41 C ATOM 205 C ARG A 16 1.847 -9.148 -14.975 1.00 11.24 C ATOM 206 O ARG A 16 1.939 -8.316 -15.877 1.00 10.01 O ATOM 207 CB ARG A 16 2.889 -11.418 -15.113 1.00 52.32 C ATOM 208 CG ARG A 16 3.029 -11.511 -16.624 1.00 34.52 C ATOM 209 CD ARG A 16 2.589 -12.873 -17.141 1.00 4.55 C ATOM 210 NE ARG A 16 3.419 -13.330 -18.252 1.00 53.43 N ATOM 211 CZ ARG A 16 3.244 -14.492 -18.870 1.00 74.42 C ATOM 212 NH1 ARG A 16 2.274 -15.311 -18.487 1.00 33.11 N ATOM 213 NH2 ARG A 16 4.039 -14.838 -19.874 1.00 63.12 N ATOM 0 H ARG A 16 3.254 -10.959 -12.718 1.00 61.12 H new ATOM 0 HA ARG A 16 3.948 -9.551 -14.997 1.00 15.41 H new ATOM 0 HB2 ARG A 16 3.635 -12.062 -14.647 1.00 52.32 H new ATOM 0 HB3 ARG A 16 1.911 -11.801 -14.823 1.00 52.32 H new ATOM 0 HG2 ARG A 16 2.431 -10.731 -17.095 1.00 34.52 H new ATOM 0 HG3 ARG A 16 4.066 -11.331 -16.906 1.00 34.52 H new ATOM 0 HD2 ARG A 16 2.635 -13.601 -16.331 1.00 4.55 H new ATOM 0 HD3 ARG A 16 1.549 -12.820 -17.463 1.00 4.55 H new ATOM 0 HE ARG A 16 4.175 -12.723 -18.571 1.00 53.43 H new ATOM 0 HH11 ARG A 16 1.660 -15.049 -17.716 1.00 33.11 H new ATOM 0 HH12 ARG A 16 2.142 -16.203 -18.964 1.00 33.11 H new ATOM 0 HH21 ARG A 16 4.786 -14.211 -20.172 1.00 63.12 H new ATOM 0 HH22 ARG A 16 3.903 -15.731 -20.348 1.00 63.12 H new ATOM 227 N GLN A 17 0.722 -9.365 -14.301 1.00 73.03 N ATOM 228 CA GLN A 17 -0.498 -8.621 -14.592 1.00 41.33 C ATOM 229 C GLN A 17 -0.232 -7.119 -14.595 1.00 4.03 C ATOM 230 O GLN A 17 -0.448 -6.441 -15.599 1.00 42.33 O ATOM 231 CB GLN A 17 -1.582 -8.957 -13.567 1.00 54.32 C ATOM 232 CG GLN A 17 -2.924 -8.308 -13.866 1.00 52.22 C ATOM 233 CD GLN A 17 -2.964 -6.843 -13.476 1.00 71.43 C ATOM 234 OE1 GLN A 17 -2.676 -6.485 -12.334 1.00 63.01 O ATOM 235 NE2 GLN A 17 -3.323 -5.987 -14.426 1.00 24.20 N ATOM 0 H GLN A 17 0.630 -10.049 -13.550 1.00 73.03 H new ATOM 0 HA GLN A 17 -0.843 -8.912 -15.584 1.00 41.33 H new ATOM 0 HB2 GLN A 17 -1.711 -10.039 -13.529 1.00 54.32 H new ATOM 0 HB3 GLN A 17 -1.247 -8.641 -12.579 1.00 54.32 H new ATOM 0 HG2 GLN A 17 -3.140 -8.403 -14.930 1.00 52.22 H new ATOM 0 HG3 GLN A 17 -3.709 -8.844 -13.332 1.00 52.22 H new ATOM 0 HE21 GLN A 17 -3.553 -6.328 -15.359 1.00 24.20 H new ATOM 0 HE22 GLN A 17 -3.368 -4.989 -14.222 1.00 24.20 H new ATOM 244 N LYS A 18 0.239 -6.605 -13.463 1.00 53.34 N ATOM 245 CA LYS A 18 0.536 -5.183 -13.334 1.00 32.10 C ATOM 246 C LYS A 18 1.430 -4.708 -14.475 1.00 31.12 C ATOM 247 O LYS A 18 1.148 -3.697 -15.119 1.00 14.44 O ATOM 248 CB LYS A 18 1.213 -4.903 -11.991 1.00 1.15 C ATOM 249 CG LYS A 18 0.260 -4.391 -10.924 1.00 62.40 C ATOM 250 CD LYS A 18 0.904 -4.405 -9.548 1.00 21.52 C ATOM 251 CE LYS A 18 -0.136 -4.543 -8.447 1.00 34.20 C ATOM 252 NZ LYS A 18 -0.898 -3.280 -8.242 1.00 70.05 N ATOM 0 H LYS A 18 0.423 -7.152 -12.622 1.00 53.34 H new ATOM 0 HA LYS A 18 -0.405 -4.635 -13.381 1.00 32.10 H new ATOM 0 HB2 LYS A 18 1.686 -5.818 -11.635 1.00 1.15 H new ATOM 0 HB3 LYS A 18 2.006 -4.170 -12.139 1.00 1.15 H new ATOM 0 HG2 LYS A 18 -0.052 -3.376 -11.170 1.00 62.40 H new ATOM 0 HG3 LYS A 18 -0.639 -5.007 -10.912 1.00 62.40 H new ATOM 0 HD2 LYS A 18 1.613 -5.230 -9.485 1.00 21.52 H new ATOM 0 HD3 LYS A 18 1.471 -3.486 -9.401 1.00 21.52 H new ATOM 0 HE2 LYS A 18 -0.827 -5.347 -8.699 1.00 34.20 H new ATOM 0 HE3 LYS A 18 0.356 -4.826 -7.516 1.00 34.20 H new ATOM 0 HZ1 LYS A 18 -1.597 -3.415 -7.484 1.00 70.05 H new ATOM 0 HZ2 LYS A 18 -0.242 -2.518 -7.977 1.00 70.05 H new ATOM 0 HZ3 LYS A 18 -1.388 -3.024 -9.123 1.00 70.05 H new ATOM 266 N LEU A 19 2.508 -5.444 -14.721 1.00 70.12 N ATOM 267 CA LEU A 19 3.443 -5.099 -15.786 1.00 41.23 C ATOM 268 C LEU A 19 2.735 -5.042 -17.136 1.00 35.01 C ATOM 269 O LEU A 19 2.931 -4.108 -17.913 1.00 52.22 O ATOM 270 CB LEU A 19 4.585 -6.116 -15.839 1.00 54.32 C ATOM 271 CG LEU A 19 5.743 -5.875 -14.871 1.00 4.01 C ATOM 272 CD1 LEU A 19 6.868 -5.119 -15.561 1.00 54.44 C ATOM 273 CD2 LEU A 19 5.263 -5.116 -13.643 1.00 1.24 C ATOM 0 H LEU A 19 2.756 -6.283 -14.197 1.00 70.12 H new ATOM 0 HA LEU A 19 3.853 -4.112 -15.570 1.00 41.23 H new ATOM 0 HB2 LEU A 19 4.173 -7.106 -15.642 1.00 54.32 H new ATOM 0 HB3 LEU A 19 4.983 -6.133 -16.854 1.00 54.32 H new ATOM 0 HG LEU A 19 6.128 -6.842 -14.548 1.00 4.01 H new ATOM 0 HD11 LEU A 19 7.683 -4.957 -14.856 1.00 54.44 H new ATOM 0 HD12 LEU A 19 7.231 -5.701 -16.408 1.00 54.44 H new ATOM 0 HD13 LEU A 19 6.497 -4.157 -15.914 1.00 54.44 H new ATOM 0 HD21 LEU A 19 6.101 -4.954 -12.965 1.00 1.24 H new ATOM 0 HD22 LEU A 19 4.851 -4.154 -13.948 1.00 1.24 H new ATOM 0 HD23 LEU A 19 4.493 -5.696 -13.135 1.00 1.24 H new ATOM 285 N VAL A 20 1.908 -6.047 -17.407 1.00 72.02 N ATOM 286 CA VAL A 20 1.167 -6.110 -18.661 1.00 71.13 C ATOM 287 C VAL A 20 0.420 -4.807 -18.925 1.00 22.34 C ATOM 288 O VAL A 20 0.463 -4.268 -20.030 1.00 41.31 O ATOM 289 CB VAL A 20 0.159 -7.275 -18.660 1.00 24.10 C ATOM 290 CG1 VAL A 20 -0.927 -7.043 -19.699 1.00 11.01 C ATOM 291 CG2 VAL A 20 0.872 -8.596 -18.908 1.00 44.22 C ATOM 0 H VAL A 20 1.735 -6.828 -16.775 1.00 72.02 H new ATOM 0 HA VAL A 20 1.899 -6.273 -19.452 1.00 71.13 H new ATOM 0 HB VAL A 20 -0.314 -7.322 -17.679 1.00 24.10 H new ATOM 0 HG11 VAL A 20 -1.629 -7.876 -19.683 1.00 11.01 H new ATOM 0 HG12 VAL A 20 -1.456 -6.118 -19.472 1.00 11.01 H new ATOM 0 HG13 VAL A 20 -0.475 -6.968 -20.688 1.00 11.01 H new ATOM 0 HG21 VAL A 20 0.145 -9.408 -18.904 1.00 44.22 H new ATOM 0 HG22 VAL A 20 1.374 -8.563 -19.875 1.00 44.22 H new ATOM 0 HG23 VAL A 20 1.609 -8.765 -18.123 1.00 44.22 H new ATOM 301 N SER A 21 -0.264 -4.306 -17.901 1.00 22.32 N ATOM 302 CA SER A 21 -1.023 -3.067 -18.022 1.00 74.51 C ATOM 303 C SER A 21 -0.109 -1.904 -18.393 1.00 12.32 C ATOM 304 O SER A 21 -0.417 -1.122 -19.292 1.00 1.32 O ATOM 305 CB SER A 21 -1.752 -2.761 -16.712 1.00 72.13 C ATOM 306 OG SER A 21 -2.507 -3.878 -16.275 1.00 62.11 O ATOM 0 H SER A 21 -0.308 -4.739 -16.979 1.00 22.32 H new ATOM 0 HA SER A 21 -1.758 -3.196 -18.817 1.00 74.51 H new ATOM 0 HB2 SER A 21 -1.028 -2.485 -15.945 1.00 72.13 H new ATOM 0 HB3 SER A 21 -2.411 -1.904 -16.851 1.00 72.13 H new ATOM 0 HG SER A 21 -3.194 -3.581 -15.643 1.00 62.11 H new ATOM 312 N GLN A 22 1.016 -1.797 -17.693 1.00 53.00 N ATOM 313 CA GLN A 22 1.975 -0.729 -17.948 1.00 12.42 C ATOM 314 C GLN A 22 2.383 -0.703 -19.417 1.00 4.31 C ATOM 315 O GLN A 22 2.352 0.346 -20.061 1.00 51.13 O ATOM 316 CB GLN A 22 3.212 -0.904 -17.065 1.00 52.11 C ATOM 317 CG GLN A 22 2.901 -0.912 -15.577 1.00 42.21 C ATOM 318 CD GLN A 22 1.858 0.119 -15.193 1.00 75.43 C ATOM 319 OE1 GLN A 22 1.961 1.290 -15.558 1.00 44.00 O ATOM 320 NE2 GLN A 22 0.843 -0.313 -14.453 1.00 61.31 N ATOM 0 H GLN A 22 1.285 -2.437 -16.945 1.00 53.00 H new ATOM 0 HA GLN A 22 1.497 0.220 -17.706 1.00 12.42 H new ATOM 0 HB2 GLN A 22 3.708 -1.838 -17.329 1.00 52.11 H new ATOM 0 HB3 GLN A 22 3.916 -0.099 -17.276 1.00 52.11 H new ATOM 0 HG2 GLN A 22 2.550 -1.903 -15.288 1.00 42.21 H new ATOM 0 HG3 GLN A 22 3.817 -0.722 -15.017 1.00 42.21 H new ATOM 0 HE21 GLN A 22 0.797 -1.293 -14.173 1.00 61.31 H new ATOM 0 HE22 GLN A 22 0.110 0.335 -14.165 1.00 61.31 H new ATOM 329 N ILE A 23 2.767 -1.863 -19.940 1.00 14.52 N ATOM 330 CA ILE A 23 3.181 -1.972 -21.333 1.00 74.20 C ATOM 331 C ILE A 23 2.056 -1.557 -22.275 1.00 53.11 C ATOM 332 O ILE A 23 2.302 -0.983 -23.336 1.00 34.25 O ATOM 333 CB ILE A 23 3.621 -3.407 -21.678 1.00 72.13 C ATOM 334 CG1 ILE A 23 4.831 -3.810 -20.833 1.00 33.11 C ATOM 335 CG2 ILE A 23 3.942 -3.520 -23.161 1.00 25.10 C ATOM 336 CD1 ILE A 23 4.624 -5.090 -20.053 1.00 52.14 C ATOM 0 H ILE A 23 2.800 -2.740 -19.420 1.00 14.52 H new ATOM 0 HA ILE A 23 4.028 -1.299 -21.464 1.00 74.20 H new ATOM 0 HB ILE A 23 2.800 -4.088 -21.451 1.00 72.13 H new ATOM 0 HG12 ILE A 23 5.697 -3.927 -21.485 1.00 33.11 H new ATOM 0 HG13 ILE A 23 5.063 -3.004 -20.137 1.00 33.11 H new ATOM 0 HG21 ILE A 23 4.251 -4.540 -23.390 1.00 25.10 H new ATOM 0 HG22 ILE A 23 3.056 -3.270 -23.745 1.00 25.10 H new ATOM 0 HG23 ILE A 23 4.749 -2.831 -23.412 1.00 25.10 H new ATOM 0 HD11 ILE A 23 5.522 -5.314 -19.477 1.00 52.14 H new ATOM 0 HD12 ILE A 23 3.779 -4.970 -19.375 1.00 52.14 H new ATOM 0 HD13 ILE A 23 4.422 -5.909 -20.744 1.00 52.14 H new ATOM 348 N GLU A 24 0.821 -1.850 -21.879 1.00 11.51 N ATOM 349 CA GLU A 24 -0.342 -1.505 -22.688 1.00 71.12 C ATOM 350 C GLU A 24 -0.590 0.000 -22.671 1.00 53.41 C ATOM 351 O GLU A 24 -1.130 0.562 -23.624 1.00 52.23 O ATOM 352 CB GLU A 24 -1.582 -2.243 -22.179 1.00 60.44 C ATOM 353 CG GLU A 24 -2.506 -2.717 -23.288 1.00 53.05 C ATOM 354 CD GLU A 24 -3.928 -2.220 -23.115 1.00 34.34 C ATOM 355 OE1 GLU A 24 -4.119 -0.989 -23.023 1.00 32.42 O ATOM 356 OE2 GLU A 24 -4.850 -3.062 -23.070 1.00 50.51 O ATOM 0 H GLU A 24 0.600 -2.325 -21.004 1.00 11.51 H new ATOM 0 HA GLU A 24 -0.142 -1.811 -23.715 1.00 71.12 H new ATOM 0 HB2 GLU A 24 -1.266 -3.103 -21.589 1.00 60.44 H new ATOM 0 HB3 GLU A 24 -2.138 -1.585 -21.511 1.00 60.44 H new ATOM 0 HG2 GLU A 24 -2.120 -2.375 -24.248 1.00 53.05 H new ATOM 0 HG3 GLU A 24 -2.507 -3.807 -23.314 1.00 53.05 H new ATOM 363 N ASP A 25 -0.193 0.647 -21.581 1.00 1.02 N ATOM 364 CA ASP A 25 -0.371 2.087 -21.438 1.00 53.45 C ATOM 365 C ASP A 25 0.631 2.847 -22.302 1.00 51.01 C ATOM 366 O ASP A 25 0.260 3.750 -23.052 1.00 23.41 O ATOM 367 CB ASP A 25 -0.217 2.500 -19.974 1.00 23.43 C ATOM 368 CG ASP A 25 -0.647 3.932 -19.727 1.00 14.11 C ATOM 369 OD1 ASP A 25 0.147 4.849 -20.023 1.00 13.24 O ATOM 370 OD2 ASP A 25 -1.778 4.136 -19.237 1.00 52.11 O ATOM 0 H ASP A 25 0.255 0.197 -20.783 1.00 1.02 H new ATOM 0 HA ASP A 25 -1.377 2.338 -21.773 1.00 53.45 H new ATOM 0 HB2 ASP A 25 -0.809 1.833 -19.347 1.00 23.43 H new ATOM 0 HB3 ASP A 25 0.824 2.379 -19.673 1.00 23.43 H new ATOM 375 N ALA A 26 1.902 2.476 -22.190 1.00 20.40 N ATOM 376 CA ALA A 26 2.957 3.121 -22.961 1.00 3.11 C ATOM 377 C ALA A 26 2.717 2.964 -24.459 1.00 2.33 C ATOM 378 O ALA A 26 2.881 3.913 -25.226 1.00 23.35 O ATOM 379 CB ALA A 26 4.315 2.549 -22.579 1.00 53.44 C ATOM 0 H ALA A 26 2.226 1.732 -21.572 1.00 20.40 H new ATOM 0 HA ALA A 26 2.945 4.186 -22.727 1.00 3.11 H new ATOM 0 HB1 ALA A 26 5.094 3.040 -23.163 1.00 53.44 H new ATOM 0 HB2 ALA A 26 4.496 2.719 -21.518 1.00 53.44 H new ATOM 0 HB3 ALA A 26 4.329 1.478 -22.783 1.00 53.44 H new ATOM 385 N MET A 27 2.329 1.761 -24.868 1.00 54.22 N ATOM 386 CA MET A 27 2.066 1.481 -26.275 1.00 53.41 C ATOM 387 C MET A 27 0.882 2.300 -26.780 1.00 72.02 C ATOM 388 O MET A 27 0.936 2.885 -27.862 1.00 61.53 O ATOM 389 CB MET A 27 1.793 -0.010 -26.478 1.00 70.31 C ATOM 390 CG MET A 27 2.830 -0.705 -27.346 1.00 13.00 C ATOM 391 SD MET A 27 2.103 -1.934 -28.447 1.00 30.54 S ATOM 392 CE MET A 27 1.042 -0.902 -29.455 1.00 2.45 C ATOM 0 H MET A 27 2.190 0.965 -24.246 1.00 54.22 H new ATOM 0 HA MET A 27 2.950 1.762 -26.847 1.00 53.41 H new ATOM 0 HB2 MET A 27 1.758 -0.500 -25.505 1.00 70.31 H new ATOM 0 HB3 MET A 27 0.810 -0.132 -26.932 1.00 70.31 H new ATOM 0 HG2 MET A 27 3.360 0.040 -27.939 1.00 13.00 H new ATOM 0 HG3 MET A 27 3.569 -1.188 -26.706 1.00 13.00 H new ATOM 0 HE1 MET A 27 1.169 -1.166 -30.505 1.00 2.45 H new ATOM 0 HE2 MET A 27 0.003 -1.056 -29.165 1.00 2.45 H new ATOM 0 HE3 MET A 27 1.308 0.145 -29.309 1.00 2.45 H new ATOM 402 N ARG A 28 -0.186 2.337 -25.990 1.00 53.13 N ATOM 403 CA ARG A 28 -1.384 3.083 -26.359 1.00 24.12 C ATOM 404 C ARG A 28 -1.035 4.520 -26.735 1.00 64.24 C ATOM 405 O ARG A 28 -1.386 4.993 -27.816 1.00 52.03 O ATOM 406 CB ARG A 28 -2.389 3.076 -25.206 1.00 54.32 C ATOM 407 CG ARG A 28 -3.543 4.048 -25.399 1.00 24.44 C ATOM 408 CD ARG A 28 -4.885 3.370 -25.174 1.00 32.24 C ATOM 409 NE ARG A 28 -5.989 4.326 -25.181 1.00 71.14 N ATOM 410 CZ ARG A 28 -7.194 4.061 -24.689 1.00 52.04 C ATOM 411 NH1 ARG A 28 -7.449 2.876 -24.153 1.00 70.40 N ATOM 412 NH2 ARG A 28 -8.147 4.983 -24.733 1.00 54.11 N ATOM 0 H ARG A 28 -0.247 1.860 -25.091 1.00 53.13 H new ATOM 0 HA ARG A 28 -1.832 2.597 -27.226 1.00 24.12 H new ATOM 0 HB2 ARG A 28 -2.789 2.069 -25.090 1.00 54.32 H new ATOM 0 HB3 ARG A 28 -1.869 3.322 -24.280 1.00 54.32 H new ATOM 0 HG2 ARG A 28 -3.436 4.884 -24.708 1.00 24.44 H new ATOM 0 HG3 ARG A 28 -3.507 4.461 -26.407 1.00 24.44 H new ATOM 0 HD2 ARG A 28 -5.048 2.622 -25.950 1.00 32.24 H new ATOM 0 HD3 ARG A 28 -4.869 2.842 -24.221 1.00 32.24 H new ATOM 0 HE ARG A 28 -5.826 5.248 -25.586 1.00 71.14 H new ATOM 0 HH11 ARG A 28 -6.719 2.165 -24.117 1.00 70.40 H new ATOM 0 HH12 ARG A 28 -8.375 2.675 -23.776 1.00 70.40 H new ATOM 0 HH21 ARG A 28 -7.955 5.896 -25.145 1.00 54.11 H new ATOM 0 HH22 ARG A 28 -9.072 4.779 -24.355 1.00 54.11 H new ATOM 426 N LYS A 29 -0.341 5.210 -25.836 1.00 71.32 N ATOM 427 CA LYS A 29 0.057 6.592 -26.073 1.00 11.43 C ATOM 428 C LYS A 29 1.168 6.668 -27.115 1.00 53.13 C ATOM 429 O LYS A 29 1.273 7.647 -27.854 1.00 20.14 O ATOM 430 CB LYS A 29 0.523 7.241 -24.767 1.00 60.13 C ATOM 431 CG LYS A 29 -0.567 8.019 -24.052 1.00 13.34 C ATOM 432 CD LYS A 29 -0.316 8.083 -22.554 1.00 41.04 C ATOM 433 CE LYS A 29 -1.452 8.786 -21.828 1.00 11.41 C ATOM 434 NZ LYS A 29 -2.755 8.097 -22.037 1.00 73.13 N ATOM 0 H LYS A 29 -0.043 4.834 -24.936 1.00 71.32 H new ATOM 0 HA LYS A 29 -0.810 7.133 -26.452 1.00 11.43 H new ATOM 0 HB2 LYS A 29 0.901 6.466 -24.101 1.00 60.13 H new ATOM 0 HB3 LYS A 29 1.355 7.911 -24.981 1.00 60.13 H new ATOM 0 HG2 LYS A 29 -0.619 9.030 -24.457 1.00 13.34 H new ATOM 0 HG3 LYS A 29 -1.533 7.550 -24.240 1.00 13.34 H new ATOM 0 HD2 LYS A 29 -0.201 7.073 -22.160 1.00 41.04 H new ATOM 0 HD3 LYS A 29 0.620 8.609 -22.363 1.00 41.04 H new ATOM 0 HE2 LYS A 29 -1.230 8.828 -20.762 1.00 11.41 H new ATOM 0 HE3 LYS A 29 -1.525 9.815 -22.179 1.00 11.41 H new ATOM 0 HZ1 LYS A 29 -3.446 8.441 -21.340 1.00 73.13 H new ATOM 0 HZ2 LYS A 29 -3.103 8.296 -22.997 1.00 73.13 H new ATOM 0 HZ3 LYS A 29 -2.628 7.071 -21.921 1.00 73.13 H new ATOM 448 N ALA A 30 1.993 5.628 -27.170 1.00 62.04 N ATOM 449 CA ALA A 30 3.093 5.576 -28.125 1.00 65.30 C ATOM 450 C ALA A 30 2.577 5.603 -29.560 1.00 4.43 C ATOM 451 O ALA A 30 3.270 6.055 -30.470 1.00 64.24 O ATOM 452 CB ALA A 30 3.938 4.332 -27.890 1.00 13.03 C ATOM 0 H ALA A 30 1.921 4.810 -26.565 1.00 62.04 H new ATOM 0 HA ALA A 30 3.714 6.459 -27.973 1.00 65.30 H new ATOM 0 HB1 ALA A 30 4.756 4.306 -28.610 1.00 13.03 H new ATOM 0 HB2 ALA A 30 4.345 4.354 -26.879 1.00 13.03 H new ATOM 0 HB3 ALA A 30 3.319 3.443 -28.012 1.00 13.03 H new ATOM 458 N GLY A 31 1.355 5.117 -29.754 1.00 23.32 N ATOM 459 CA GLY A 31 0.768 5.094 -31.081 1.00 12.44 C ATOM 460 C GLY A 31 1.673 4.439 -32.105 1.00 20.24 C ATOM 461 O GLY A 31 2.365 5.122 -32.860 1.00 31.40 O ATOM 0 H GLY A 31 0.761 4.739 -29.016 1.00 23.32 H new ATOM 0 HA2 GLY A 31 -0.181 4.560 -31.046 1.00 12.44 H new ATOM 0 HA3 GLY A 31 0.548 6.114 -31.395 1.00 12.44 H new ATOM 465 N VAL A 32 1.670 3.110 -32.130 1.00 25.22 N ATOM 466 CA VAL A 32 2.498 2.361 -33.068 1.00 41.32 C ATOM 467 C VAL A 32 1.679 1.305 -33.802 1.00 24.14 C ATOM 468 O VAL A 32 1.807 1.137 -35.014 1.00 3.11 O ATOM 469 CB VAL A 32 3.678 1.676 -32.353 1.00 74.22 C ATOM 470 CG1 VAL A 32 4.786 2.679 -32.069 1.00 74.51 C ATOM 471 CG2 VAL A 32 3.207 1.010 -31.069 1.00 4.33 C ATOM 0 H VAL A 32 1.103 2.530 -31.511 1.00 25.22 H new ATOM 0 HA VAL A 32 2.888 3.079 -33.789 1.00 41.32 H new ATOM 0 HB VAL A 32 4.080 0.904 -33.009 1.00 74.22 H new ATOM 0 HG11 VAL A 32 5.611 2.177 -31.564 1.00 74.51 H new ATOM 0 HG12 VAL A 32 5.141 3.105 -33.008 1.00 74.51 H new ATOM 0 HG13 VAL A 32 4.401 3.475 -31.432 1.00 74.51 H new ATOM 0 HG21 VAL A 32 4.053 0.531 -30.576 1.00 4.33 H new ATOM 0 HG22 VAL A 32 2.778 1.761 -30.406 1.00 4.33 H new ATOM 0 HG23 VAL A 32 2.452 0.260 -31.304 1.00 4.33 H new ATOM 481 N ALA A 33 0.837 0.595 -33.058 1.00 3.13 N ATOM 482 CA ALA A 33 -0.005 -0.444 -33.638 1.00 2.35 C ATOM 483 C ALA A 33 0.817 -1.406 -34.488 1.00 45.10 C ATOM 484 O ALA A 33 0.421 -1.763 -35.598 1.00 22.41 O ATOM 485 CB ALA A 33 -1.116 0.180 -34.468 1.00 52.54 C ATOM 0 H ALA A 33 0.720 0.720 -32.053 1.00 3.13 H new ATOM 0 HA ALA A 33 -0.452 -1.013 -32.822 1.00 2.35 H new ATOM 0 HB1 ALA A 33 -1.737 -0.607 -34.895 1.00 52.54 H new ATOM 0 HB2 ALA A 33 -1.728 0.821 -33.833 1.00 52.54 H new ATOM 0 HB3 ALA A 33 -0.680 0.774 -35.271 1.00 52.54 H new ATOM 491 N HIS A 34 1.965 -1.822 -33.961 1.00 51.21 N ATOM 492 CA HIS A 34 2.843 -2.743 -34.673 1.00 25.21 C ATOM 493 C HIS A 34 3.560 -3.673 -33.698 1.00 51.02 C ATOM 494 O HIS A 34 4.769 -3.882 -33.800 1.00 34.44 O ATOM 495 CB HIS A 34 3.867 -1.967 -35.502 1.00 25.13 C ATOM 496 CG HIS A 34 3.302 -1.387 -36.762 1.00 25.23 C ATOM 497 ND1 HIS A 34 2.419 -2.067 -37.573 1.00 60.31 N ATOM 498 CD2 HIS A 34 3.498 -0.183 -37.348 1.00 4.14 C ATOM 499 CE1 HIS A 34 2.097 -1.307 -38.605 1.00 24.15 C ATOM 500 NE2 HIS A 34 2.739 -0.158 -38.491 1.00 53.12 N ATOM 0 H HIS A 34 2.308 -1.536 -33.044 1.00 51.21 H new ATOM 0 HA HIS A 34 2.230 -3.348 -35.341 1.00 25.21 H new ATOM 0 HB2 HIS A 34 4.279 -1.162 -34.894 1.00 25.13 H new ATOM 0 HB3 HIS A 34 4.694 -2.630 -35.756 1.00 25.13 H new ATOM 0 HD2 HIS A 34 4.134 0.611 -36.984 1.00 4.14 H new ATOM 0 HE1 HIS A 34 1.424 -1.579 -39.405 1.00 24.15 H new ATOM 0 HE2 HIS A 34 2.680 0.621 -39.146 1.00 53.12 H new ATOM 508 N SER A 35 2.806 -4.227 -32.754 1.00 21.20 N ATOM 509 CA SER A 35 3.370 -5.131 -31.758 1.00 50.11 C ATOM 510 C SER A 35 2.332 -6.151 -31.301 1.00 61.52 C ATOM 511 O SER A 35 2.474 -6.770 -30.246 1.00 65.12 O ATOM 512 CB SER A 35 3.888 -4.340 -30.555 1.00 53.55 C ATOM 513 OG SER A 35 4.311 -3.043 -30.942 1.00 33.43 O ATOM 0 H SER A 35 1.803 -4.066 -32.658 1.00 21.20 H new ATOM 0 HA SER A 35 4.201 -5.665 -32.218 1.00 50.11 H new ATOM 0 HB2 SER A 35 3.103 -4.261 -29.803 1.00 53.55 H new ATOM 0 HB3 SER A 35 4.719 -4.875 -30.094 1.00 53.55 H new ATOM 0 HG SER A 35 3.850 -2.372 -30.397 1.00 33.43 H new ATOM 519 N LYS A 36 1.287 -6.322 -32.103 1.00 73.53 N ATOM 520 CA LYS A 36 0.224 -7.268 -31.785 1.00 33.25 C ATOM 521 C LYS A 36 -0.628 -6.759 -30.626 1.00 23.43 C ATOM 522 O LYS A 36 -1.783 -6.377 -30.813 1.00 3.13 O ATOM 523 CB LYS A 36 0.817 -8.635 -31.434 1.00 52.30 C ATOM 524 CG LYS A 36 -0.046 -9.804 -31.876 1.00 40.24 C ATOM 525 CD LYS A 36 -1.292 -9.934 -31.017 1.00 20.14 C ATOM 526 CE LYS A 36 -2.553 -9.637 -31.814 1.00 2.33 C ATOM 527 NZ LYS A 36 -3.777 -9.736 -30.972 1.00 74.53 N ATOM 0 H LYS A 36 1.153 -5.817 -32.979 1.00 73.53 H new ATOM 0 HA LYS A 36 -0.412 -7.370 -32.664 1.00 33.25 H new ATOM 0 HB2 LYS A 36 1.800 -8.725 -31.896 1.00 52.30 H new ATOM 0 HB3 LYS A 36 0.966 -8.691 -30.356 1.00 52.30 H new ATOM 0 HG2 LYS A 36 -0.334 -9.671 -32.919 1.00 40.24 H new ATOM 0 HG3 LYS A 36 0.533 -10.726 -31.821 1.00 40.24 H new ATOM 0 HD2 LYS A 36 -1.349 -10.942 -30.607 1.00 20.14 H new ATOM 0 HD3 LYS A 36 -1.225 -9.249 -30.171 1.00 20.14 H new ATOM 0 HE2 LYS A 36 -2.486 -8.636 -32.241 1.00 2.33 H new ATOM 0 HE3 LYS A 36 -2.628 -10.335 -32.648 1.00 2.33 H new ATOM 0 HZ1 LYS A 36 -4.615 -9.527 -31.551 1.00 74.53 H new ATOM 0 HZ2 LYS A 36 -3.855 -10.698 -30.585 1.00 74.53 H new ATOM 0 HZ3 LYS A 36 -3.717 -9.052 -30.191 1.00 74.53 H new ATOM 541 N SER A 37 -0.049 -6.757 -29.429 1.00 13.51 N ATOM 542 CA SER A 37 -0.756 -6.297 -28.239 1.00 52.33 C ATOM 543 C SER A 37 0.125 -6.425 -27.000 1.00 52.23 C ATOM 544 O SER A 37 1.055 -7.231 -26.967 1.00 53.40 O ATOM 545 CB SER A 37 -2.047 -7.096 -28.046 1.00 44.54 C ATOM 546 OG SER A 37 -2.526 -6.977 -26.718 1.00 23.40 O ATOM 0 H SER A 37 0.907 -7.069 -29.258 1.00 13.51 H new ATOM 0 HA SER A 37 -1.006 -5.245 -28.379 1.00 52.33 H new ATOM 0 HB2 SER A 37 -2.806 -6.741 -28.743 1.00 44.54 H new ATOM 0 HB3 SER A 37 -1.867 -8.146 -28.278 1.00 44.54 H new ATOM 0 HG SER A 37 -3.352 -7.495 -26.621 1.00 23.40 H new ATOM 552 N SER A 38 -0.175 -5.624 -25.983 1.00 55.20 N ATOM 553 CA SER A 38 0.591 -5.644 -24.742 1.00 54.24 C ATOM 554 C SER A 38 0.703 -7.064 -24.196 1.00 45.14 C ATOM 555 O SER A 38 1.759 -7.474 -23.713 1.00 71.22 O ATOM 556 CB SER A 38 -0.063 -4.735 -23.700 1.00 12.12 C ATOM 557 OG SER A 38 0.799 -4.524 -22.595 1.00 52.31 O ATOM 0 H SER A 38 -0.943 -4.953 -25.994 1.00 55.20 H new ATOM 0 HA SER A 38 1.594 -5.276 -24.957 1.00 54.24 H new ATOM 0 HB2 SER A 38 -0.316 -3.778 -24.156 1.00 12.12 H new ATOM 0 HB3 SER A 38 -0.996 -5.182 -23.357 1.00 12.12 H new ATOM 0 HG SER A 38 0.284 -4.578 -21.763 1.00 52.31 H new ATOM 563 N LYS A 39 -0.393 -7.811 -24.277 1.00 4.31 N ATOM 564 CA LYS A 39 -0.419 -9.186 -23.793 1.00 13.21 C ATOM 565 C LYS A 39 0.584 -10.049 -24.551 1.00 73.24 C ATOM 566 O LYS A 39 1.308 -10.846 -23.954 1.00 50.31 O ATOM 567 CB LYS A 39 -1.825 -9.772 -23.938 1.00 74.12 C ATOM 568 CG LYS A 39 -1.952 -11.189 -23.405 1.00 1.44 C ATOM 569 CD LYS A 39 -3.037 -11.291 -22.346 1.00 53.21 C ATOM 570 CE LYS A 39 -2.470 -11.107 -20.947 1.00 31.33 C ATOM 571 NZ LYS A 39 -3.466 -10.501 -20.020 1.00 23.32 N ATOM 0 H LYS A 39 -1.275 -7.487 -24.673 1.00 4.31 H new ATOM 0 HA LYS A 39 -0.141 -9.179 -22.739 1.00 13.21 H new ATOM 0 HB2 LYS A 39 -2.533 -9.131 -23.413 1.00 74.12 H new ATOM 0 HB3 LYS A 39 -2.107 -9.762 -24.991 1.00 74.12 H new ATOM 0 HG2 LYS A 39 -2.179 -11.869 -24.226 1.00 1.44 H new ATOM 0 HG3 LYS A 39 -0.999 -11.507 -22.982 1.00 1.44 H new ATOM 0 HD2 LYS A 39 -3.801 -10.536 -22.532 1.00 53.21 H new ATOM 0 HD3 LYS A 39 -3.526 -12.263 -22.417 1.00 53.21 H new ATOM 0 HE2 LYS A 39 -2.150 -12.072 -20.555 1.00 31.33 H new ATOM 0 HE3 LYS A 39 -1.585 -10.473 -20.994 1.00 31.33 H new ATOM 0 HZ1 LYS A 39 -3.041 -10.392 -19.077 1.00 23.32 H new ATOM 0 HZ2 LYS A 39 -3.753 -9.569 -20.380 1.00 23.32 H new ATOM 0 HZ3 LYS A 39 -4.300 -11.119 -19.955 1.00 23.32 H new ATOM 585 N ASP A 40 0.621 -9.885 -25.869 1.00 45.20 N ATOM 586 CA ASP A 40 1.538 -10.647 -26.709 1.00 31.42 C ATOM 587 C ASP A 40 2.979 -10.197 -26.489 1.00 32.43 C ATOM 588 O ASP A 40 3.900 -11.013 -26.484 1.00 21.35 O ATOM 589 CB ASP A 40 1.162 -10.492 -28.183 1.00 74.21 C ATOM 590 CG ASP A 40 0.229 -11.587 -28.661 1.00 35.42 C ATOM 591 OD1 ASP A 40 -0.939 -11.608 -28.217 1.00 60.04 O ATOM 592 OD2 ASP A 40 0.665 -12.423 -29.479 1.00 24.41 O ATOM 0 H ASP A 40 0.027 -9.231 -26.379 1.00 45.20 H new ATOM 0 HA ASP A 40 1.458 -11.698 -26.430 1.00 31.42 H new ATOM 0 HB2 ASP A 40 0.687 -9.523 -28.334 1.00 74.21 H new ATOM 0 HB3 ASP A 40 2.068 -10.501 -28.789 1.00 74.21 H new ATOM 597 N MET A 41 3.165 -8.894 -26.308 1.00 43.03 N ATOM 598 CA MET A 41 4.494 -8.336 -26.088 1.00 4.12 C ATOM 599 C MET A 41 5.059 -8.791 -24.746 1.00 2.32 C ATOM 600 O MET A 41 6.199 -9.246 -24.665 1.00 5.10 O ATOM 601 CB MET A 41 4.445 -6.808 -26.142 1.00 14.32 C ATOM 602 CG MET A 41 5.021 -6.226 -27.422 1.00 43.12 C ATOM 603 SD MET A 41 5.126 -4.426 -27.382 1.00 33.30 S ATOM 604 CE MET A 41 6.600 -4.151 -28.361 1.00 2.42 C ATOM 0 H MET A 41 2.413 -8.205 -26.309 1.00 43.03 H new ATOM 0 HA MET A 41 5.149 -8.699 -26.880 1.00 4.12 H new ATOM 0 HB2 MET A 41 3.410 -6.482 -26.038 1.00 14.32 H new ATOM 0 HB3 MET A 41 4.993 -6.405 -25.291 1.00 14.32 H new ATOM 0 HG2 MET A 41 6.015 -6.640 -27.590 1.00 43.12 H new ATOM 0 HG3 MET A 41 4.402 -6.531 -28.266 1.00 43.12 H new ATOM 0 HE1 MET A 41 7.146 -3.295 -27.965 1.00 2.42 H new ATOM 0 HE2 MET A 41 7.235 -5.036 -28.320 1.00 2.42 H new ATOM 0 HE3 MET A 41 6.318 -3.954 -29.395 1.00 2.42 H new ATOM 614 N GLU A 42 4.254 -8.664 -23.696 1.00 15.31 N ATOM 615 CA GLU A 42 4.675 -9.061 -22.358 1.00 22.12 C ATOM 616 C GLU A 42 5.088 -10.530 -22.331 1.00 44.14 C ATOM 617 O GLU A 42 6.183 -10.870 -21.883 1.00 42.21 O ATOM 618 CB GLU A 42 3.549 -8.819 -21.351 1.00 11.40 C ATOM 619 CG GLU A 42 4.036 -8.318 -20.002 1.00 21.25 C ATOM 620 CD GLU A 42 3.864 -9.347 -18.901 1.00 33.01 C ATOM 621 OE1 GLU A 42 3.851 -10.556 -19.214 1.00 44.44 O ATOM 622 OE2 GLU A 42 3.741 -8.943 -17.726 1.00 5.34 O ATOM 0 H GLU A 42 3.307 -8.289 -23.746 1.00 15.31 H new ATOM 0 HA GLU A 42 5.537 -8.453 -22.082 1.00 22.12 H new ATOM 0 HB2 GLU A 42 2.850 -8.094 -21.768 1.00 11.40 H new ATOM 0 HB3 GLU A 42 2.997 -9.747 -21.206 1.00 11.40 H new ATOM 0 HG2 GLU A 42 5.089 -8.045 -20.078 1.00 21.25 H new ATOM 0 HG3 GLU A 42 3.491 -7.412 -19.736 1.00 21.25 H new ATOM 629 N SER A 43 4.204 -11.396 -22.814 1.00 74.25 N ATOM 630 CA SER A 43 4.473 -12.829 -22.843 1.00 4.14 C ATOM 631 C SER A 43 5.819 -13.116 -23.503 1.00 14.51 C ATOM 632 O SER A 43 6.660 -13.821 -22.945 1.00 13.24 O ATOM 633 CB SER A 43 3.359 -13.565 -23.589 1.00 50.32 C ATOM 634 OG SER A 43 3.883 -14.618 -24.379 1.00 23.24 O ATOM 0 H SER A 43 3.294 -11.130 -23.191 1.00 74.25 H new ATOM 0 HA SER A 43 4.508 -13.187 -21.814 1.00 4.14 H new ATOM 0 HB2 SER A 43 2.641 -13.966 -22.873 1.00 50.32 H new ATOM 0 HB3 SER A 43 2.818 -12.864 -24.225 1.00 50.32 H new ATOM 0 HG SER A 43 3.151 -15.074 -24.844 1.00 23.24 H new ATOM 640 N HIS A 44 6.015 -12.563 -24.696 1.00 73.20 N ATOM 641 CA HIS A 44 7.258 -12.758 -25.434 1.00 32.22 C ATOM 642 C HIS A 44 8.464 -12.404 -24.569 1.00 70.12 C ATOM 643 O HIS A 44 9.482 -13.096 -24.592 1.00 71.12 O ATOM 644 CB HIS A 44 7.260 -11.909 -26.705 1.00 13.41 C ATOM 645 CG HIS A 44 8.444 -12.154 -27.588 1.00 24.32 C ATOM 646 ND1 HIS A 44 8.889 -13.418 -27.916 1.00 42.50 N ATOM 647 CD2 HIS A 44 9.277 -11.290 -28.213 1.00 51.53 C ATOM 648 CE1 HIS A 44 9.945 -13.319 -28.704 1.00 21.22 C ATOM 649 NE2 HIS A 44 10.201 -12.038 -28.900 1.00 32.30 N ATOM 0 H HIS A 44 5.329 -11.977 -25.172 1.00 73.20 H new ATOM 0 HA HIS A 44 7.327 -13.810 -25.710 1.00 32.22 H new ATOM 0 HB2 HIS A 44 6.349 -12.111 -27.268 1.00 13.41 H new ATOM 0 HB3 HIS A 44 7.236 -10.855 -26.428 1.00 13.41 H new ATOM 0 HD2 HIS A 44 9.225 -10.212 -28.178 1.00 51.53 H new ATOM 0 HE1 HIS A 44 10.504 -14.145 -29.118 1.00 21.22 H new ATOM 0 HE2 HIS A 44 10.961 -11.665 -29.469 1.00 32.30 H new ATOM 657 N VAL A 45 8.343 -11.321 -23.808 1.00 33.34 N ATOM 658 CA VAL A 45 9.423 -10.875 -22.935 1.00 74.43 C ATOM 659 C VAL A 45 9.636 -11.850 -21.783 1.00 21.22 C ATOM 660 O VAL A 45 10.764 -12.252 -21.496 1.00 1.41 O ATOM 661 CB VAL A 45 9.139 -9.474 -22.362 1.00 72.12 C ATOM 662 CG1 VAL A 45 10.347 -8.955 -21.598 1.00 1.11 C ATOM 663 CG2 VAL A 45 8.748 -8.513 -23.475 1.00 21.12 C ATOM 0 H VAL A 45 7.508 -10.736 -23.778 1.00 33.34 H new ATOM 0 HA VAL A 45 10.326 -10.834 -23.544 1.00 74.43 H new ATOM 0 HB VAL A 45 8.303 -9.547 -21.666 1.00 72.12 H new ATOM 0 HG11 VAL A 45 10.128 -7.964 -21.200 1.00 1.11 H new ATOM 0 HG12 VAL A 45 10.577 -9.633 -20.776 1.00 1.11 H new ATOM 0 HG13 VAL A 45 11.204 -8.895 -22.269 1.00 1.11 H new ATOM 0 HG21 VAL A 45 8.551 -7.528 -23.052 1.00 21.12 H new ATOM 0 HG22 VAL A 45 9.562 -8.442 -24.197 1.00 21.12 H new ATOM 0 HG23 VAL A 45 7.851 -8.880 -23.974 1.00 21.12 H new ATOM 673 N PHE A 46 8.545 -12.228 -21.125 1.00 21.01 N ATOM 674 CA PHE A 46 8.612 -13.156 -20.002 1.00 64.32 C ATOM 675 C PHE A 46 9.389 -14.414 -20.382 1.00 11.30 C ATOM 676 O PHE A 46 10.247 -14.879 -19.630 1.00 14.41 O ATOM 677 CB PHE A 46 7.204 -13.533 -19.540 1.00 35.43 C ATOM 678 CG PHE A 46 7.155 -14.063 -18.135 1.00 4.32 C ATOM 679 CD1 PHE A 46 7.010 -13.200 -17.060 1.00 71.12 C ATOM 680 CD2 PHE A 46 7.255 -15.423 -17.889 1.00 10.51 C ATOM 681 CE1 PHE A 46 6.966 -13.685 -15.767 1.00 2.45 C ATOM 682 CE2 PHE A 46 7.211 -15.913 -16.597 1.00 44.23 C ATOM 683 CZ PHE A 46 7.066 -15.043 -15.535 1.00 12.42 C ATOM 0 H PHE A 46 7.604 -11.906 -21.350 1.00 21.01 H new ATOM 0 HA PHE A 46 9.135 -12.660 -19.184 1.00 64.32 H new ATOM 0 HB2 PHE A 46 6.560 -12.656 -19.612 1.00 35.43 H new ATOM 0 HB3 PHE A 46 6.797 -14.284 -20.217 1.00 35.43 H new ATOM 0 HD1 PHE A 46 6.931 -12.137 -17.235 1.00 71.12 H new ATOM 0 HD2 PHE A 46 7.369 -16.108 -18.716 1.00 10.51 H new ATOM 0 HE1 PHE A 46 6.853 -13.002 -14.938 1.00 2.45 H new ATOM 0 HE2 PHE A 46 7.290 -16.975 -16.419 1.00 44.23 H new ATOM 0 HZ PHE A 46 7.031 -15.423 -14.525 1.00 12.42 H new ATOM 693 N LEU A 47 9.082 -14.960 -21.553 1.00 50.13 N ATOM 694 CA LEU A 47 9.750 -16.164 -22.034 1.00 71.34 C ATOM 695 C LEU A 47 11.162 -15.848 -22.516 1.00 24.45 C ATOM 696 O LEU A 47 12.042 -16.710 -22.503 1.00 73.12 O ATOM 697 CB LEU A 47 8.943 -16.801 -23.168 1.00 1.53 C ATOM 698 CG LEU A 47 7.906 -17.844 -22.750 1.00 0.51 C ATOM 699 CD1 LEU A 47 6.852 -18.011 -23.833 1.00 34.51 C ATOM 700 CD2 LEU A 47 8.580 -19.174 -22.448 1.00 34.21 C ATOM 0 H LEU A 47 8.375 -14.588 -22.187 1.00 50.13 H new ATOM 0 HA LEU A 47 9.818 -16.868 -21.204 1.00 71.34 H new ATOM 0 HB2 LEU A 47 8.432 -16.008 -23.713 1.00 1.53 H new ATOM 0 HB3 LEU A 47 9.639 -17.269 -23.864 1.00 1.53 H new ATOM 0 HG LEU A 47 7.413 -17.496 -21.843 1.00 0.51 H new ATOM 0 HD11 LEU A 47 6.122 -18.757 -23.519 1.00 34.51 H new ATOM 0 HD12 LEU A 47 6.348 -17.059 -24.001 1.00 34.51 H new ATOM 0 HD13 LEU A 47 7.329 -18.337 -24.757 1.00 34.51 H new ATOM 0 HD21 LEU A 47 7.827 -19.905 -22.152 1.00 34.21 H new ATOM 0 HD22 LEU A 47 9.100 -19.529 -23.338 1.00 34.21 H new ATOM 0 HD23 LEU A 47 9.297 -19.043 -21.637 1.00 34.21 H new ATOM 712 N LYS A 48 11.374 -14.606 -22.937 1.00 62.44 N ATOM 713 CA LYS A 48 12.680 -14.174 -23.420 1.00 4.24 C ATOM 714 C LYS A 48 13.618 -13.871 -22.255 1.00 34.53 C ATOM 715 O LYS A 48 14.833 -13.793 -22.428 1.00 64.13 O ATOM 716 CB LYS A 48 12.535 -12.935 -24.306 1.00 1.20 C ATOM 717 CG LYS A 48 13.797 -12.587 -25.077 1.00 10.25 C ATOM 718 CD LYS A 48 14.546 -11.435 -24.428 1.00 65.00 C ATOM 719 CE LYS A 48 15.806 -11.082 -25.205 1.00 13.23 C ATOM 720 NZ LYS A 48 17.038 -11.508 -24.486 1.00 64.44 N ATOM 0 H LYS A 48 10.657 -13.880 -22.953 1.00 62.44 H new ATOM 0 HA LYS A 48 13.109 -14.986 -24.008 1.00 4.24 H new ATOM 0 HB2 LYS A 48 11.721 -13.097 -25.012 1.00 1.20 H new ATOM 0 HB3 LYS A 48 12.253 -12.085 -23.684 1.00 1.20 H new ATOM 0 HG2 LYS A 48 14.446 -13.461 -25.129 1.00 10.25 H new ATOM 0 HG3 LYS A 48 13.537 -12.322 -26.102 1.00 10.25 H new ATOM 0 HD2 LYS A 48 13.895 -10.562 -24.372 1.00 65.00 H new ATOM 0 HD3 LYS A 48 14.811 -11.702 -23.405 1.00 65.00 H new ATOM 0 HE2 LYS A 48 15.774 -11.559 -26.185 1.00 13.23 H new ATOM 0 HE3 LYS A 48 15.838 -10.006 -25.375 1.00 13.23 H new ATOM 0 HZ1 LYS A 48 17.874 -11.250 -25.048 1.00 64.44 H new ATOM 0 HZ2 LYS A 48 17.082 -11.034 -23.561 1.00 64.44 H new ATOM 0 HZ3 LYS A 48 17.020 -12.538 -24.346 1.00 64.44 H new ATOM 734 N ALA A 49 13.044 -13.704 -21.068 1.00 11.03 N ATOM 735 CA ALA A 49 13.829 -13.414 -19.874 1.00 74.01 C ATOM 736 C ALA A 49 14.116 -14.686 -19.084 1.00 23.02 C ATOM 737 O ALA A 49 13.335 -15.637 -19.111 1.00 53.15 O ATOM 738 CB ALA A 49 13.105 -12.400 -19.000 1.00 43.25 C ATOM 0 H ALA A 49 12.039 -13.765 -20.907 1.00 11.03 H new ATOM 0 HA ALA A 49 14.782 -12.990 -20.190 1.00 74.01 H new ATOM 0 HB1 ALA A 49 13.702 -12.193 -18.112 1.00 43.25 H new ATOM 0 HB2 ALA A 49 12.956 -11.477 -19.561 1.00 43.25 H new ATOM 0 HB3 ALA A 49 12.137 -12.803 -18.700 1.00 43.25 H new ATOM 744 N LYS A 50 15.243 -14.698 -18.380 1.00 2.40 N ATOM 745 CA LYS A 50 15.635 -15.852 -17.581 1.00 30.52 C ATOM 746 C LYS A 50 15.358 -15.609 -16.101 1.00 21.13 C ATOM 747 O LYS A 50 15.184 -16.552 -15.327 1.00 43.43 O ATOM 748 CB LYS A 50 17.119 -16.163 -17.789 1.00 1.43 C ATOM 749 CG LYS A 50 17.372 -17.310 -18.751 1.00 73.14 C ATOM 750 CD LYS A 50 18.630 -17.082 -19.573 1.00 33.34 C ATOM 751 CE LYS A 50 19.292 -18.397 -19.953 1.00 65.42 C ATOM 752 NZ LYS A 50 20.548 -18.183 -20.724 1.00 5.21 N ATOM 0 H LYS A 50 15.902 -13.920 -18.347 1.00 2.40 H new ATOM 0 HA LYS A 50 15.042 -16.706 -17.908 1.00 30.52 H new ATOM 0 HB2 LYS A 50 17.620 -15.270 -18.163 1.00 1.43 H new ATOM 0 HB3 LYS A 50 17.570 -16.402 -16.826 1.00 1.43 H new ATOM 0 HG2 LYS A 50 17.465 -18.241 -18.192 1.00 73.14 H new ATOM 0 HG3 LYS A 50 16.517 -17.423 -19.417 1.00 73.14 H new ATOM 0 HD2 LYS A 50 18.380 -16.525 -20.476 1.00 33.34 H new ATOM 0 HD3 LYS A 50 19.331 -16.471 -19.005 1.00 33.34 H new ATOM 0 HE2 LYS A 50 19.513 -18.967 -19.050 1.00 65.42 H new ATOM 0 HE3 LYS A 50 18.599 -18.994 -20.546 1.00 65.42 H new ATOM 0 HZ1 LYS A 50 20.969 -19.103 -20.964 1.00 5.21 H new ATOM 0 HZ2 LYS A 50 20.334 -17.661 -21.598 1.00 5.21 H new ATOM 0 HZ3 LYS A 50 21.219 -17.635 -20.149 1.00 5.21 H new ATOM 766 N THR A 51 15.317 -14.338 -15.712 1.00 31.40 N ATOM 767 CA THR A 51 15.061 -13.971 -14.325 1.00 73.40 C ATOM 768 C THR A 51 14.237 -12.692 -14.238 1.00 54.11 C ATOM 769 O THR A 51 14.029 -12.007 -15.240 1.00 1.23 O ATOM 770 CB THR A 51 16.374 -13.777 -13.544 1.00 12.14 C ATOM 771 OG1 THR A 51 17.094 -12.655 -14.067 1.00 70.43 O ATOM 772 CG2 THR A 51 17.241 -15.025 -13.623 1.00 54.50 C ATOM 0 H THR A 51 15.458 -13.546 -16.339 1.00 31.40 H new ATOM 0 HA THR A 51 14.500 -14.792 -13.879 1.00 73.40 H new ATOM 0 HB THR A 51 16.125 -13.593 -12.499 1.00 12.14 H new ATOM 0 HG1 THR A 51 17.927 -12.537 -13.564 1.00 70.43 H new ATOM 0 HG21 THR A 51 18.163 -14.864 -13.064 1.00 54.50 H new ATOM 0 HG22 THR A 51 16.701 -15.871 -13.197 1.00 54.50 H new ATOM 0 HG23 THR A 51 17.481 -15.236 -14.665 1.00 54.50 H new ATOM 780 N ARG A 52 13.770 -12.375 -13.035 1.00 12.22 N ATOM 781 CA ARG A 52 12.968 -11.177 -12.818 1.00 14.02 C ATOM 782 C ARG A 52 13.710 -9.932 -13.294 1.00 50.21 C ATOM 783 O ARG A 52 13.094 -8.921 -13.633 1.00 31.12 O ATOM 784 CB ARG A 52 12.612 -11.037 -11.336 1.00 45.45 C ATOM 785 CG ARG A 52 13.797 -10.669 -10.458 1.00 42.43 C ATOM 786 CD ARG A 52 13.408 -10.622 -8.989 1.00 3.10 C ATOM 787 NE ARG A 52 13.131 -9.260 -8.539 1.00 74.53 N ATOM 788 CZ ARG A 52 14.076 -8.388 -8.210 1.00 45.24 C ATOM 789 NH1 ARG A 52 15.355 -8.733 -8.281 1.00 53.51 N ATOM 790 NH2 ARG A 52 13.744 -7.167 -7.810 1.00 44.03 N ATOM 0 H ARG A 52 13.933 -12.931 -12.196 1.00 12.22 H new ATOM 0 HA ARG A 52 12.050 -11.275 -13.397 1.00 14.02 H new ATOM 0 HB2 ARG A 52 11.839 -10.276 -11.227 1.00 45.45 H new ATOM 0 HB3 ARG A 52 12.186 -11.976 -10.983 1.00 45.45 H new ATOM 0 HG2 ARG A 52 14.597 -11.396 -10.601 1.00 42.43 H new ATOM 0 HG3 ARG A 52 14.190 -9.699 -10.763 1.00 42.43 H new ATOM 0 HD2 ARG A 52 12.527 -11.243 -8.827 1.00 3.10 H new ATOM 0 HD3 ARG A 52 14.212 -11.046 -8.387 1.00 3.10 H new ATOM 0 HE ARG A 52 12.157 -8.963 -8.474 1.00 74.53 H new ATOM 0 HH11 ARG A 52 15.614 -9.670 -8.589 1.00 53.51 H new ATOM 0 HH12 ARG A 52 16.079 -8.061 -8.028 1.00 53.51 H new ATOM 0 HH21 ARG A 52 12.762 -6.898 -7.755 1.00 44.03 H new ATOM 0 HH22 ARG A 52 14.471 -6.498 -7.557 1.00 44.03 H new ATOM 804 N ASP A 53 15.036 -10.012 -13.317 1.00 33.42 N ATOM 805 CA ASP A 53 15.863 -8.893 -13.752 1.00 15.31 C ATOM 806 C ASP A 53 15.829 -8.750 -15.270 1.00 55.13 C ATOM 807 O ASP A 53 15.530 -7.678 -15.795 1.00 51.23 O ATOM 808 CB ASP A 53 17.304 -9.081 -13.277 1.00 42.20 C ATOM 809 CG ASP A 53 18.006 -7.762 -13.022 1.00 4.33 C ATOM 810 OD1 ASP A 53 18.280 -7.035 -14.000 1.00 74.34 O ATOM 811 OD2 ASP A 53 18.282 -7.455 -11.843 1.00 60.21 O ATOM 0 H ASP A 53 15.561 -10.841 -13.039 1.00 33.42 H new ATOM 0 HA ASP A 53 15.459 -7.982 -13.310 1.00 15.31 H new ATOM 0 HB2 ASP A 53 17.308 -9.674 -12.362 1.00 42.20 H new ATOM 0 HB3 ASP A 53 17.859 -9.646 -14.025 1.00 42.20 H new ATOM 816 N GLU A 54 16.138 -9.838 -15.969 1.00 55.21 N ATOM 817 CA GLU A 54 16.144 -9.832 -17.427 1.00 51.13 C ATOM 818 C GLU A 54 14.836 -9.267 -17.975 1.00 4.22 C ATOM 819 O GLU A 54 14.833 -8.511 -18.947 1.00 30.02 O ATOM 820 CB GLU A 54 16.365 -11.248 -17.964 1.00 52.31 C ATOM 821 CG GLU A 54 16.628 -11.297 -19.460 1.00 34.32 C ATOM 822 CD GLU A 54 17.255 -12.606 -19.899 1.00 21.13 C ATOM 823 OE1 GLU A 54 18.032 -13.185 -19.110 1.00 52.32 O ATOM 824 OE2 GLU A 54 16.970 -13.052 -21.030 1.00 1.52 O ATOM 0 H GLU A 54 16.387 -10.734 -15.549 1.00 55.21 H new ATOM 0 HA GLU A 54 16.963 -9.193 -17.758 1.00 51.13 H new ATOM 0 HB2 GLU A 54 17.208 -11.699 -17.440 1.00 52.31 H new ATOM 0 HB3 GLU A 54 15.488 -11.854 -17.738 1.00 52.31 H new ATOM 0 HG2 GLU A 54 15.690 -11.150 -19.995 1.00 34.32 H new ATOM 0 HG3 GLU A 54 17.285 -10.473 -19.737 1.00 34.32 H new ATOM 831 N TYR A 55 13.728 -9.639 -17.344 1.00 61.24 N ATOM 832 CA TYR A 55 12.414 -9.173 -17.769 1.00 53.43 C ATOM 833 C TYR A 55 12.230 -7.693 -17.447 1.00 3.23 C ATOM 834 O TYR A 55 12.010 -6.873 -18.339 1.00 73.13 O ATOM 835 CB TYR A 55 11.315 -9.993 -17.093 1.00 34.54 C ATOM 836 CG TYR A 55 9.925 -9.438 -17.308 1.00 32.51 C ATOM 837 CD1 TYR A 55 9.243 -9.661 -18.498 1.00 1.31 C ATOM 838 CD2 TYR A 55 9.293 -8.693 -16.320 1.00 51.54 C ATOM 839 CE1 TYR A 55 7.973 -9.155 -18.699 1.00 5.20 C ATOM 840 CE2 TYR A 55 8.023 -8.184 -16.512 1.00 52.12 C ATOM 841 CZ TYR A 55 7.368 -8.417 -17.703 1.00 75.33 C ATOM 842 OH TYR A 55 6.102 -7.913 -17.899 1.00 43.22 O ATOM 0 H TYR A 55 13.714 -10.262 -16.536 1.00 61.24 H new ATOM 0 HA TYR A 55 12.343 -9.303 -18.849 1.00 53.43 H new ATOM 0 HB2 TYR A 55 11.351 -11.015 -17.471 1.00 34.54 H new ATOM 0 HB3 TYR A 55 11.516 -10.042 -16.023 1.00 34.54 H new ATOM 0 HD1 TYR A 55 9.714 -10.240 -19.279 1.00 1.31 H new ATOM 0 HD2 TYR A 55 9.803 -8.509 -15.386 1.00 51.54 H new ATOM 0 HE1 TYR A 55 7.457 -9.336 -19.630 1.00 5.20 H new ATOM 0 HE2 TYR A 55 7.546 -7.607 -15.734 1.00 52.12 H new ATOM 0 HH TYR A 55 5.455 -8.448 -17.394 1.00 43.22 H new ATOM 852 N LEU A 56 12.324 -7.358 -16.165 1.00 12.33 N ATOM 853 CA LEU A 56 12.169 -5.976 -15.722 1.00 24.33 C ATOM 854 C LEU A 56 13.065 -5.042 -16.529 1.00 71.22 C ATOM 855 O LEU A 56 12.728 -3.878 -16.747 1.00 64.43 O ATOM 856 CB LEU A 56 12.500 -5.858 -14.233 1.00 12.51 C ATOM 857 CG LEU A 56 11.359 -6.174 -13.265 1.00 2.21 C ATOM 858 CD1 LEU A 56 11.904 -6.759 -11.971 1.00 51.11 C ATOM 859 CD2 LEU A 56 10.537 -4.925 -12.983 1.00 1.41 C ATOM 0 H LEU A 56 12.507 -8.024 -15.414 1.00 12.33 H new ATOM 0 HA LEU A 56 11.132 -5.683 -15.882 1.00 24.33 H new ATOM 0 HB2 LEU A 56 13.333 -6.526 -14.012 1.00 12.51 H new ATOM 0 HB3 LEU A 56 12.845 -4.843 -14.037 1.00 12.51 H new ATOM 0 HG LEU A 56 10.709 -6.915 -13.730 1.00 2.21 H new ATOM 0 HD11 LEU A 56 11.078 -6.978 -11.294 1.00 51.11 H new ATOM 0 HD12 LEU A 56 12.448 -7.678 -12.188 1.00 51.11 H new ATOM 0 HD13 LEU A 56 12.577 -6.041 -11.502 1.00 51.11 H new ATOM 0 HD21 LEU A 56 9.730 -5.169 -12.292 1.00 1.41 H new ATOM 0 HD22 LEU A 56 11.176 -4.161 -12.539 1.00 1.41 H new ATOM 0 HD23 LEU A 56 10.116 -4.549 -13.915 1.00 1.41 H new ATOM 871 N SER A 57 14.206 -5.561 -16.972 1.00 53.21 N ATOM 872 CA SER A 57 15.151 -4.773 -17.755 1.00 12.34 C ATOM 873 C SER A 57 14.614 -4.519 -19.160 1.00 31.01 C ATOM 874 O SER A 57 14.501 -3.373 -19.597 1.00 1.23 O ATOM 875 CB SER A 57 16.501 -5.488 -17.834 1.00 0.34 C ATOM 876 OG SER A 57 17.559 -4.562 -18.012 1.00 12.41 O ATOM 0 H SER A 57 14.498 -6.523 -16.802 1.00 53.21 H new ATOM 0 HA SER A 57 15.285 -3.813 -17.257 1.00 12.34 H new ATOM 0 HB2 SER A 57 16.666 -6.062 -16.922 1.00 0.34 H new ATOM 0 HB3 SER A 57 16.492 -6.198 -18.661 1.00 0.34 H new ATOM 0 HG SER A 57 18.411 -5.044 -18.058 1.00 12.41 H new ATOM 882 N LEU A 58 14.284 -5.596 -19.864 1.00 20.34 N ATOM 883 CA LEU A 58 13.758 -5.493 -21.221 1.00 4.55 C ATOM 884 C LEU A 58 12.467 -4.680 -21.244 1.00 25.42 C ATOM 885 O LEU A 58 12.286 -3.807 -22.092 1.00 62.13 O ATOM 886 CB LEU A 58 13.508 -6.886 -21.800 1.00 22.14 C ATOM 887 CG LEU A 58 14.718 -7.578 -22.429 1.00 75.34 C ATOM 888 CD1 LEU A 58 14.675 -9.075 -22.162 1.00 41.21 C ATOM 889 CD2 LEU A 58 14.771 -7.303 -23.925 1.00 75.01 C ATOM 0 H LEU A 58 14.371 -6.551 -19.518 1.00 20.34 H new ATOM 0 HA LEU A 58 14.500 -4.980 -21.834 1.00 4.55 H new ATOM 0 HB2 LEU A 58 13.122 -7.524 -21.005 1.00 22.14 H new ATOM 0 HB3 LEU A 58 12.726 -6.809 -22.555 1.00 22.14 H new ATOM 0 HG LEU A 58 15.622 -7.174 -21.973 1.00 75.34 H new ATOM 0 HD11 LEU A 58 15.544 -9.551 -22.617 1.00 41.21 H new ATOM 0 HD12 LEU A 58 14.685 -9.253 -21.087 1.00 41.21 H new ATOM 0 HD13 LEU A 58 13.765 -9.495 -22.591 1.00 41.21 H new ATOM 0 HD21 LEU A 58 15.638 -7.803 -24.356 1.00 75.01 H new ATOM 0 HD22 LEU A 58 13.863 -7.680 -24.397 1.00 75.01 H new ATOM 0 HD23 LEU A 58 14.850 -6.229 -24.095 1.00 75.01 H new ATOM 901 N VAL A 59 11.573 -4.973 -20.305 1.00 4.14 N ATOM 902 CA VAL A 59 10.300 -4.268 -20.215 1.00 3.20 C ATOM 903 C VAL A 59 10.513 -2.763 -20.090 1.00 60.33 C ATOM 904 O VAL A 59 9.953 -1.981 -20.858 1.00 33.33 O ATOM 905 CB VAL A 59 9.470 -4.759 -19.014 1.00 60.03 C ATOM 906 CG1 VAL A 59 8.125 -4.049 -18.969 1.00 23.53 C ATOM 907 CG2 VAL A 59 9.284 -6.268 -19.077 1.00 43.50 C ATOM 0 H VAL A 59 11.707 -5.694 -19.596 1.00 4.14 H new ATOM 0 HA VAL A 59 9.755 -4.480 -21.135 1.00 3.20 H new ATOM 0 HB VAL A 59 10.011 -4.520 -18.098 1.00 60.03 H new ATOM 0 HG11 VAL A 59 7.552 -4.409 -18.114 1.00 23.53 H new ATOM 0 HG12 VAL A 59 8.284 -2.975 -18.874 1.00 23.53 H new ATOM 0 HG13 VAL A 59 7.574 -4.254 -19.887 1.00 23.53 H new ATOM 0 HG21 VAL A 59 8.695 -6.598 -18.221 1.00 43.50 H new ATOM 0 HG22 VAL A 59 8.765 -6.532 -19.998 1.00 43.50 H new ATOM 0 HG23 VAL A 59 10.259 -6.756 -19.057 1.00 43.50 H new ATOM 917 N ALA A 60 11.327 -2.365 -19.118 1.00 50.13 N ATOM 918 CA ALA A 60 11.616 -0.954 -18.894 1.00 42.14 C ATOM 919 C ALA A 60 12.035 -0.267 -20.190 1.00 12.01 C ATOM 920 O ALA A 60 11.397 0.689 -20.631 1.00 10.44 O ATOM 921 CB ALA A 60 12.700 -0.798 -17.838 1.00 62.41 C ATOM 0 H ALA A 60 11.798 -3.000 -18.473 1.00 50.13 H new ATOM 0 HA ALA A 60 10.705 -0.474 -18.537 1.00 42.14 H new ATOM 0 HB1 ALA A 60 12.905 0.261 -17.681 1.00 62.41 H new ATOM 0 HB2 ALA A 60 12.364 -1.245 -16.902 1.00 62.41 H new ATOM 0 HB3 ALA A 60 13.609 -1.298 -18.173 1.00 62.41 H new ATOM 927 N ARG A 61 13.110 -0.760 -20.795 1.00 23.21 N ATOM 928 CA ARG A 61 13.615 -0.192 -22.039 1.00 71.22 C ATOM 929 C ARG A 61 12.500 -0.074 -23.074 1.00 41.13 C ATOM 930 O ARG A 61 12.427 0.908 -23.814 1.00 51.04 O ATOM 931 CB ARG A 61 14.751 -1.053 -22.594 1.00 23.11 C ATOM 932 CG ARG A 61 15.308 -0.549 -23.915 1.00 70.24 C ATOM 933 CD ARG A 61 16.461 -1.414 -24.400 1.00 5.52 C ATOM 934 NE ARG A 61 16.807 -1.136 -25.791 1.00 53.24 N ATOM 935 CZ ARG A 61 16.048 -1.492 -26.822 1.00 62.20 C ATOM 936 NH1 ARG A 61 14.907 -2.137 -26.618 1.00 44.53 N ATOM 937 NH2 ARG A 61 16.430 -1.204 -28.060 1.00 0.34 N ATOM 0 H ARG A 61 13.648 -1.552 -20.444 1.00 23.21 H new ATOM 0 HA ARG A 61 13.997 0.806 -21.825 1.00 71.22 H new ATOM 0 HB2 ARG A 61 15.557 -1.093 -21.861 1.00 23.11 H new ATOM 0 HB3 ARG A 61 14.391 -2.073 -22.727 1.00 23.11 H new ATOM 0 HG2 ARG A 61 14.517 -0.541 -24.665 1.00 70.24 H new ATOM 0 HG3 ARG A 61 15.648 0.480 -23.799 1.00 70.24 H new ATOM 0 HD2 ARG A 61 17.333 -1.243 -23.769 1.00 5.52 H new ATOM 0 HD3 ARG A 61 16.194 -2.466 -24.296 1.00 5.52 H new ATOM 0 HE ARG A 61 17.679 -0.642 -25.982 1.00 53.24 H new ATOM 0 HH11 ARG A 61 14.610 -2.361 -25.668 1.00 44.53 H new ATOM 0 HH12 ARG A 61 14.326 -2.409 -27.411 1.00 44.53 H new ATOM 0 HH21 ARG A 61 17.307 -0.709 -28.221 1.00 0.34 H new ATOM 0 HH22 ARG A 61 15.846 -1.478 -28.851 1.00 0.34 H new ATOM 951 N LEU A 62 11.634 -1.080 -23.121 1.00 64.53 N ATOM 952 CA LEU A 62 10.523 -1.090 -24.066 1.00 71.20 C ATOM 953 C LEU A 62 9.527 0.021 -23.747 1.00 63.51 C ATOM 954 O LEU A 62 9.150 0.800 -24.623 1.00 22.41 O ATOM 955 CB LEU A 62 9.817 -2.447 -24.039 1.00 13.10 C ATOM 956 CG LEU A 62 8.484 -2.525 -24.785 1.00 64.13 C ATOM 957 CD1 LEU A 62 8.470 -3.718 -25.729 1.00 3.23 C ATOM 958 CD2 LEU A 62 7.326 -2.607 -23.802 1.00 2.13 C ATOM 0 H LEU A 62 11.680 -1.900 -22.516 1.00 64.53 H new ATOM 0 HA LEU A 62 10.925 -0.917 -25.064 1.00 71.20 H new ATOM 0 HB2 LEU A 62 10.491 -3.193 -24.461 1.00 13.10 H new ATOM 0 HB3 LEU A 62 9.645 -2.724 -22.999 1.00 13.10 H new ATOM 0 HG LEU A 62 8.367 -1.617 -25.377 1.00 64.13 H new ATOM 0 HD11 LEU A 62 7.514 -3.758 -26.251 1.00 3.23 H new ATOM 0 HD12 LEU A 62 9.276 -3.617 -26.455 1.00 3.23 H new ATOM 0 HD13 LEU A 62 8.610 -4.636 -25.158 1.00 3.23 H new ATOM 0 HD21 LEU A 62 6.386 -2.662 -24.351 1.00 2.13 H new ATOM 0 HD22 LEU A 62 7.437 -3.497 -23.183 1.00 2.13 H new ATOM 0 HD23 LEU A 62 7.324 -1.721 -23.167 1.00 2.13 H new ATOM 970 N ILE A 63 9.108 0.088 -22.488 1.00 54.22 N ATOM 971 CA ILE A 63 8.159 1.106 -22.054 1.00 32.35 C ATOM 972 C ILE A 63 8.718 2.508 -22.271 1.00 21.41 C ATOM 973 O ILE A 63 8.064 3.362 -22.870 1.00 31.33 O ATOM 974 CB ILE A 63 7.793 0.936 -20.567 1.00 71.12 C ATOM 975 CG1 ILE A 63 6.894 -0.288 -20.377 1.00 40.43 C ATOM 976 CG2 ILE A 63 7.108 2.190 -20.044 1.00 31.52 C ATOM 977 CD1 ILE A 63 6.625 -0.620 -18.926 1.00 72.34 C ATOM 0 H ILE A 63 9.410 -0.550 -21.751 1.00 54.22 H new ATOM 0 HA ILE A 63 7.261 0.978 -22.659 1.00 32.35 H new ATOM 0 HB ILE A 63 8.709 0.782 -19.997 1.00 71.12 H new ATOM 0 HG12 ILE A 63 5.945 -0.114 -20.884 1.00 40.43 H new ATOM 0 HG13 ILE A 63 7.359 -1.149 -20.858 1.00 40.43 H new ATOM 0 HG21 ILE A 63 6.855 2.055 -18.992 1.00 31.52 H new ATOM 0 HG22 ILE A 63 7.779 3.042 -20.149 1.00 31.52 H new ATOM 0 HG23 ILE A 63 6.198 2.372 -20.615 1.00 31.52 H new ATOM 0 HD11 ILE A 63 5.982 -1.498 -18.867 1.00 72.34 H new ATOM 0 HD12 ILE A 63 7.568 -0.826 -18.419 1.00 72.34 H new ATOM 0 HD13 ILE A 63 6.132 0.225 -18.445 1.00 72.34 H new ATOM 989 N ILE A 64 9.932 2.736 -21.782 1.00 43.50 N ATOM 990 CA ILE A 64 10.581 4.034 -21.926 1.00 31.15 C ATOM 991 C ILE A 64 10.608 4.477 -23.384 1.00 72.35 C ATOM 992 O ILE A 64 10.384 5.648 -23.694 1.00 32.55 O ATOM 993 CB ILE A 64 12.022 4.006 -21.383 1.00 12.14 C ATOM 994 CG1 ILE A 64 12.015 3.803 -19.866 1.00 72.01 C ATOM 995 CG2 ILE A 64 12.750 5.291 -21.747 1.00 1.20 C ATOM 996 CD1 ILE A 64 12.994 2.752 -19.393 1.00 30.34 C ATOM 0 H ILE A 64 10.486 2.040 -21.283 1.00 43.50 H new ATOM 0 HA ILE A 64 9.995 4.745 -21.344 1.00 31.15 H new ATOM 0 HB ILE A 64 12.551 3.170 -21.840 1.00 12.14 H new ATOM 0 HG12 ILE A 64 12.248 4.750 -19.380 1.00 72.01 H new ATOM 0 HG13 ILE A 64 11.011 3.521 -19.550 1.00 72.01 H new ATOM 0 HG21 ILE A 64 13.767 5.256 -21.356 1.00 1.20 H new ATOM 0 HG22 ILE A 64 12.781 5.397 -22.831 1.00 1.20 H new ATOM 0 HG23 ILE A 64 12.224 6.142 -21.314 1.00 1.20 H new ATOM 0 HD11 ILE A 64 12.935 2.661 -18.308 1.00 30.34 H new ATOM 0 HD12 ILE A 64 12.749 1.794 -19.851 1.00 30.34 H new ATOM 0 HD13 ILE A 64 14.005 3.042 -19.678 1.00 30.34 H new ATOM 1008 N HIS A 65 10.882 3.532 -24.279 1.00 12.21 N ATOM 1009 CA HIS A 65 10.935 3.824 -25.707 1.00 45.20 C ATOM 1010 C HIS A 65 9.563 4.239 -26.229 1.00 31.52 C ATOM 1011 O HIS A 65 9.453 5.108 -27.093 1.00 53.41 O ATOM 1012 CB HIS A 65 11.441 2.606 -26.480 1.00 21.44 C ATOM 1013 CG HIS A 65 12.428 2.945 -27.554 1.00 25.45 C ATOM 1014 ND1 HIS A 65 13.792 2.954 -27.347 1.00 32.51 N ATOM 1015 CD2 HIS A 65 12.244 3.286 -28.850 1.00 53.31 C ATOM 1016 CE1 HIS A 65 14.403 3.288 -28.469 1.00 72.24 C ATOM 1017 NE2 HIS A 65 13.486 3.495 -29.397 1.00 72.43 N ATOM 0 H HIS A 65 11.071 2.558 -24.040 1.00 12.21 H new ATOM 0 HA HIS A 65 11.627 4.653 -25.857 1.00 45.20 H new ATOM 0 HB2 HIS A 65 11.903 1.909 -25.781 1.00 21.44 H new ATOM 0 HB3 HIS A 65 10.591 2.092 -26.929 1.00 21.44 H new ATOM 0 HD2 HIS A 65 11.296 3.377 -29.360 1.00 53.31 H new ATOM 0 HE1 HIS A 65 15.471 3.377 -28.605 1.00 72.24 H new ATOM 0 HE2 HIS A 65 13.671 3.766 -30.363 1.00 72.43 H new ATOM 1025 N PHE A 66 8.519 3.610 -25.699 1.00 22.44 N ATOM 1026 CA PHE A 66 7.154 3.912 -26.112 1.00 72.31 C ATOM 1027 C PHE A 66 6.745 5.310 -25.659 1.00 42.33 C ATOM 1028 O PHE A 66 6.205 6.094 -26.440 1.00 45.22 O ATOM 1029 CB PHE A 66 6.184 2.875 -25.541 1.00 62.10 C ATOM 1030 CG PHE A 66 6.115 1.610 -26.348 1.00 43.11 C ATOM 1031 CD1 PHE A 66 5.947 1.658 -27.723 1.00 2.13 C ATOM 1032 CD2 PHE A 66 6.219 0.373 -25.733 1.00 1.25 C ATOM 1033 CE1 PHE A 66 5.883 0.496 -28.467 1.00 74.35 C ATOM 1034 CE2 PHE A 66 6.156 -0.793 -26.472 1.00 53.33 C ATOM 1035 CZ PHE A 66 5.988 -0.731 -27.842 1.00 23.12 C ATOM 0 H PHE A 66 8.593 2.888 -24.982 1.00 22.44 H new ATOM 0 HA PHE A 66 7.115 3.876 -27.201 1.00 72.31 H new ATOM 0 HB2 PHE A 66 6.485 2.631 -24.522 1.00 62.10 H new ATOM 0 HB3 PHE A 66 5.188 3.314 -25.483 1.00 62.10 H new ATOM 0 HD1 PHE A 66 5.865 2.614 -28.218 1.00 2.13 H new ATOM 0 HD2 PHE A 66 6.351 0.319 -24.662 1.00 1.25 H new ATOM 0 HE1 PHE A 66 5.751 0.547 -29.538 1.00 74.35 H new ATOM 0 HE2 PHE A 66 6.238 -1.751 -25.980 1.00 53.33 H new ATOM 0 HZ PHE A 66 5.939 -1.640 -28.423 1.00 23.12 H new ATOM 1045 N ARG A 67 7.006 5.615 -24.392 1.00 42.44 N ATOM 1046 CA ARG A 67 6.664 6.918 -23.834 1.00 44.12 C ATOM 1047 C ARG A 67 7.322 8.041 -24.632 1.00 32.34 C ATOM 1048 O ARG A 67 6.706 9.075 -24.890 1.00 1.00 O ATOM 1049 CB ARG A 67 7.097 6.998 -22.369 1.00 13.21 C ATOM 1050 CG ARG A 67 6.288 6.102 -21.445 1.00 54.34 C ATOM 1051 CD ARG A 67 7.163 5.472 -20.373 1.00 73.24 C ATOM 1052 NE ARG A 67 6.384 5.037 -19.217 1.00 20.10 N ATOM 1053 CZ ARG A 67 6.914 4.793 -18.024 1.00 1.14 C ATOM 1054 NH1 ARG A 67 8.217 4.941 -17.831 1.00 4.44 N ATOM 1055 NH2 ARG A 67 6.140 4.401 -17.020 1.00 72.40 N ATOM 0 H ARG A 67 7.453 4.978 -23.733 1.00 42.44 H new ATOM 0 HA ARG A 67 5.582 7.039 -23.894 1.00 44.12 H new ATOM 0 HB2 ARG A 67 8.150 6.726 -22.295 1.00 13.21 H new ATOM 0 HB3 ARG A 67 7.010 8.030 -22.029 1.00 13.21 H new ATOM 0 HG2 ARG A 67 5.496 6.684 -20.974 1.00 54.34 H new ATOM 0 HG3 ARG A 67 5.804 5.318 -22.028 1.00 54.34 H new ATOM 0 HD2 ARG A 67 7.694 4.618 -20.794 1.00 73.24 H new ATOM 0 HD3 ARG A 67 7.917 6.190 -20.052 1.00 73.24 H new ATOM 0 HE ARG A 67 5.378 4.914 -19.332 1.00 20.10 H new ATOM 0 HH11 ARG A 67 8.815 5.243 -18.600 1.00 4.44 H new ATOM 0 HH12 ARG A 67 8.621 4.753 -16.914 1.00 4.44 H new ATOM 0 HH21 ARG A 67 5.137 4.287 -17.164 1.00 72.40 H new ATOM 0 HH22 ARG A 67 6.548 4.214 -16.104 1.00 72.40 H new ATOM 1069 N ASP A 68 8.575 7.829 -25.018 1.00 1.30 N ATOM 1070 CA ASP A 68 9.316 8.823 -25.786 1.00 62.34 C ATOM 1071 C ASP A 68 8.653 9.070 -27.138 1.00 13.24 C ATOM 1072 O ASP A 68 8.414 10.215 -27.522 1.00 42.33 O ATOM 1073 CB ASP A 68 10.762 8.367 -25.990 1.00 72.50 C ATOM 1074 CG ASP A 68 11.764 9.336 -25.394 1.00 60.52 C ATOM 1075 OD1 ASP A 68 11.638 10.551 -25.650 1.00 52.13 O ATOM 1076 OD2 ASP A 68 12.675 8.878 -24.673 1.00 2.35 O ATOM 0 H ASP A 68 9.099 6.978 -24.812 1.00 1.30 H new ATOM 0 HA ASP A 68 9.313 9.757 -25.223 1.00 62.34 H new ATOM 0 HB2 ASP A 68 10.897 7.385 -25.537 1.00 72.50 H new ATOM 0 HB3 ASP A 68 10.958 8.256 -27.057 1.00 72.50 H new ATOM 1081 N ILE A 69 8.358 7.990 -27.853 1.00 65.02 N ATOM 1082 CA ILE A 69 7.723 8.090 -29.161 1.00 52.50 C ATOM 1083 C ILE A 69 6.460 8.942 -29.094 1.00 74.03 C ATOM 1084 O ILE A 69 6.202 9.760 -29.978 1.00 73.22 O ATOM 1085 CB ILE A 69 7.363 6.701 -29.720 1.00 41.33 C ATOM 1086 CG1 ILE A 69 8.623 5.845 -29.869 1.00 14.44 C ATOM 1087 CG2 ILE A 69 6.648 6.837 -31.056 1.00 41.23 C ATOM 1088 CD1 ILE A 69 8.374 4.366 -29.677 1.00 74.33 C ATOM 0 H ILE A 69 8.549 7.035 -27.548 1.00 65.02 H new ATOM 0 HA ILE A 69 8.444 8.564 -29.827 1.00 52.50 H new ATOM 0 HB ILE A 69 6.691 6.206 -29.019 1.00 41.33 H new ATOM 0 HG12 ILE A 69 9.048 6.008 -30.859 1.00 14.44 H new ATOM 0 HG13 ILE A 69 9.366 6.177 -29.144 1.00 14.44 H new ATOM 0 HG21 ILE A 69 6.400 5.847 -31.438 1.00 41.23 H new ATOM 0 HG22 ILE A 69 5.733 7.414 -30.922 1.00 41.23 H new ATOM 0 HG23 ILE A 69 7.298 7.348 -31.766 1.00 41.23 H new ATOM 0 HD11 ILE A 69 9.310 3.821 -29.797 1.00 74.33 H new ATOM 0 HD12 ILE A 69 7.977 4.191 -28.677 1.00 74.33 H new ATOM 0 HD13 ILE A 69 7.655 4.019 -30.419 1.00 74.33 H new ATOM 1100 N HIS A 70 5.675 8.746 -28.039 1.00 63.11 N ATOM 1101 CA HIS A 70 4.439 9.498 -27.855 1.00 61.21 C ATOM 1102 C HIS A 70 4.724 10.993 -27.745 1.00 32.34 C ATOM 1103 O HIS A 70 4.172 11.796 -28.495 1.00 13.44 O ATOM 1104 CB HIS A 70 3.704 9.013 -26.605 1.00 52.22 C ATOM 1105 CG HIS A 70 2.527 9.863 -26.235 1.00 63.01 C ATOM 1106 ND1 HIS A 70 2.257 10.250 -24.940 1.00 14.43 N ATOM 1107 CD2 HIS A 70 1.549 10.402 -27.000 1.00 30.23 C ATOM 1108 CE1 HIS A 70 1.162 10.989 -24.923 1.00 54.33 C ATOM 1109 NE2 HIS A 70 0.713 11.097 -26.161 1.00 32.21 N ATOM 0 H HIS A 70 5.873 8.073 -27.299 1.00 63.11 H new ATOM 0 HA HIS A 70 3.807 9.330 -28.727 1.00 61.21 H new ATOM 0 HB2 HIS A 70 3.366 7.989 -26.766 1.00 52.22 H new ATOM 0 HB3 HIS A 70 4.403 8.990 -25.769 1.00 52.22 H new ATOM 0 HD2 HIS A 70 1.445 10.304 -28.071 1.00 30.23 H new ATOM 0 HE1 HIS A 70 0.711 11.430 -24.046 1.00 54.33 H new ATOM 0 HE2 HIS A 70 -0.119 11.613 -26.447 1.00 32.21 H new ATOM 1117 N ASN A 71 5.589 11.357 -26.804 1.00 13.54 N ATOM 1118 CA ASN A 71 5.946 12.756 -26.594 1.00 75.02 C ATOM 1119 C ASN A 71 6.629 13.334 -27.830 1.00 33.01 C ATOM 1120 O ASN A 71 6.587 14.541 -28.069 1.00 1.11 O ATOM 1121 CB ASN A 71 6.864 12.893 -25.379 1.00 25.04 C ATOM 1122 CG ASN A 71 6.206 13.644 -24.237 1.00 74.44 C ATOM 1123 OD1 ASN A 71 5.027 13.442 -23.946 1.00 54.00 O ATOM 1124 ND2 ASN A 71 6.966 14.515 -23.586 1.00 3.25 N ATOM 0 H ASN A 71 6.056 10.703 -26.175 1.00 13.54 H new ATOM 0 HA ASN A 71 5.029 13.316 -26.412 1.00 75.02 H new ATOM 0 HB2 ASN A 71 7.158 11.901 -25.036 1.00 25.04 H new ATOM 0 HB3 ASN A 71 7.776 13.412 -25.673 1.00 25.04 H new ATOM 0 HD21 ASN A 71 6.578 15.050 -22.809 1.00 3.25 H new ATOM 0 HD22 ASN A 71 7.939 14.650 -23.862 1.00 3.25 H new ATOM 1131 N LYS A 72 7.257 12.464 -28.613 1.00 62.11 N ATOM 1132 CA LYS A 72 7.948 12.885 -29.826 1.00 3.52 C ATOM 1133 C LYS A 72 9.013 13.931 -29.510 1.00 24.44 C ATOM 1134 O LYS A 72 8.916 15.081 -29.939 1.00 24.44 O ATOM 1135 CB LYS A 72 6.948 13.451 -30.837 1.00 63.30 C ATOM 1136 CG LYS A 72 6.199 12.382 -31.613 1.00 53.05 C ATOM 1137 CD LYS A 72 5.298 12.992 -32.674 1.00 53.11 C ATOM 1138 CE LYS A 72 4.589 11.920 -33.488 1.00 23.24 C ATOM 1139 NZ LYS A 72 3.624 12.507 -34.458 1.00 63.11 N ATOM 0 H LYS A 72 7.302 11.462 -28.429 1.00 62.11 H new ATOM 0 HA LYS A 72 8.437 12.012 -30.257 1.00 3.52 H new ATOM 0 HB2 LYS A 72 6.228 14.078 -30.311 1.00 63.30 H new ATOM 0 HB3 LYS A 72 7.478 14.094 -31.539 1.00 63.30 H new ATOM 0 HG2 LYS A 72 6.912 11.706 -32.085 1.00 53.05 H new ATOM 0 HG3 LYS A 72 5.600 11.784 -30.926 1.00 53.05 H new ATOM 0 HD2 LYS A 72 4.559 13.637 -32.198 1.00 53.11 H new ATOM 0 HD3 LYS A 72 5.891 13.622 -33.338 1.00 53.11 H new ATOM 0 HE2 LYS A 72 5.327 11.325 -34.025 1.00 23.24 H new ATOM 0 HE3 LYS A 72 4.062 11.243 -32.816 1.00 23.24 H new ATOM 0 HZ1 LYS A 72 3.162 11.744 -34.993 1.00 63.11 H new ATOM 0 HZ2 LYS A 72 2.904 13.054 -33.944 1.00 63.11 H new ATOM 0 HZ3 LYS A 72 4.131 13.133 -35.116 1.00 63.11 H new ATOM 1153 N LYS A 73 10.030 13.524 -28.758 1.00 25.53 N ATOM 1154 CA LYS A 73 11.116 14.423 -28.386 1.00 11.20 C ATOM 1155 C LYS A 73 12.450 13.684 -28.358 1.00 32.15 C ATOM 1156 O LYS A 73 12.750 12.962 -27.407 1.00 31.21 O ATOM 1157 CB LYS A 73 10.840 15.051 -27.018 1.00 54.20 C ATOM 1158 CG LYS A 73 11.275 16.503 -26.916 1.00 21.31 C ATOM 1159 CD LYS A 73 12.054 16.762 -25.638 1.00 4.44 C ATOM 1160 CE LYS A 73 13.100 17.849 -25.834 1.00 4.25 C ATOM 1161 NZ LYS A 73 14.414 17.468 -25.245 1.00 31.53 N ATOM 0 H LYS A 73 10.125 12.576 -28.394 1.00 25.53 H new ATOM 0 HA LYS A 73 11.174 15.212 -29.136 1.00 11.20 H new ATOM 0 HB2 LYS A 73 9.773 14.984 -26.806 1.00 54.20 H new ATOM 0 HB3 LYS A 73 11.354 14.472 -26.251 1.00 54.20 H new ATOM 0 HG2 LYS A 73 11.891 16.761 -27.777 1.00 21.31 H new ATOM 0 HG3 LYS A 73 10.398 17.150 -26.946 1.00 21.31 H new ATOM 0 HD2 LYS A 73 11.367 17.056 -24.845 1.00 4.44 H new ATOM 0 HD3 LYS A 73 12.540 15.842 -25.314 1.00 4.44 H new ATOM 0 HE2 LYS A 73 13.223 18.047 -26.899 1.00 4.25 H new ATOM 0 HE3 LYS A 73 12.752 18.775 -25.376 1.00 4.25 H new ATOM 0 HZ1 LYS A 73 15.099 18.235 -25.400 1.00 31.53 H new ATOM 0 HZ2 LYS A 73 14.302 17.304 -24.224 1.00 31.53 H new ATOM 0 HZ3 LYS A 73 14.759 16.599 -25.699 1.00 31.53 H new ATOM 1175 N SER A 74 13.247 13.870 -29.405 1.00 0.23 N ATOM 1176 CA SER A 74 14.548 13.219 -29.500 1.00 62.13 C ATOM 1177 C SER A 74 14.404 11.702 -29.415 1.00 2.42 C ATOM 1178 O SER A 74 14.765 11.090 -28.410 1.00 44.41 O ATOM 1179 CB SER A 74 15.475 13.718 -28.390 1.00 12.00 C ATOM 1180 OG SER A 74 15.496 15.134 -28.342 1.00 4.11 O ATOM 0 H SER A 74 13.015 14.466 -30.199 1.00 0.23 H new ATOM 0 HA SER A 74 14.983 13.472 -30.467 1.00 62.13 H new ATOM 0 HB2 SER A 74 15.143 13.323 -27.430 1.00 12.00 H new ATOM 0 HB3 SER A 74 16.484 13.342 -28.558 1.00 12.00 H new ATOM 0 HG SER A 74 16.094 15.428 -27.624 1.00 4.11 H new ATOM 1186 N GLN A 75 13.874 11.104 -30.476 1.00 72.13 N ATOM 1187 CA GLN A 75 13.681 9.659 -30.521 1.00 40.33 C ATOM 1188 C GLN A 75 14.332 9.062 -31.765 1.00 33.35 C ATOM 1189 O GLN A 75 14.809 9.787 -32.637 1.00 12.03 O ATOM 1190 CB GLN A 75 12.189 9.322 -30.500 1.00 22.33 C ATOM 1191 CG GLN A 75 11.386 10.045 -31.568 1.00 41.54 C ATOM 1192 CD GLN A 75 10.281 9.186 -32.151 1.00 24.24 C ATOM 1193 OE1 GLN A 75 9.989 8.103 -31.643 1.00 21.30 O ATOM 1194 NE2 GLN A 75 9.660 9.665 -33.222 1.00 3.11 N ATOM 0 H GLN A 75 13.570 11.597 -31.316 1.00 72.13 H new ATOM 0 HA GLN A 75 14.156 9.226 -29.641 1.00 40.33 H new ATOM 0 HB2 GLN A 75 12.066 8.247 -30.631 1.00 22.33 H new ATOM 0 HB3 GLN A 75 11.782 9.572 -29.520 1.00 22.33 H new ATOM 0 HG2 GLN A 75 10.951 10.948 -31.140 1.00 41.54 H new ATOM 0 HG3 GLN A 75 12.055 10.361 -32.368 1.00 41.54 H new ATOM 0 HE21 GLN A 75 9.935 10.567 -33.610 1.00 3.11 H new ATOM 0 HE22 GLN A 75 8.908 9.131 -33.657 1.00 3.11 H new ATOM 1203 N ALA A 76 14.348 7.735 -31.838 1.00 74.13 N ATOM 1204 CA ALA A 76 14.938 7.040 -32.975 1.00 42.14 C ATOM 1205 C ALA A 76 13.878 6.279 -33.764 1.00 64.34 C ATOM 1206 O ALA A 76 12.754 6.099 -33.298 1.00 34.21 O ATOM 1207 CB ALA A 76 16.031 6.092 -32.505 1.00 22.12 C ATOM 0 H ALA A 76 13.959 7.120 -31.123 1.00 74.13 H new ATOM 0 HA ALA A 76 15.379 7.786 -33.636 1.00 42.14 H new ATOM 0 HB1 ALA A 76 16.463 5.580 -33.365 1.00 22.12 H new ATOM 0 HB2 ALA A 76 16.808 6.659 -31.992 1.00 22.12 H new ATOM 0 HB3 ALA A 76 15.606 5.358 -31.821 1.00 22.12 H new ATOM 1213 N SER A 77 14.245 5.834 -34.962 1.00 53.34 N ATOM 1214 CA SER A 77 13.323 5.096 -35.818 1.00 44.13 C ATOM 1215 C SER A 77 13.087 3.690 -35.277 1.00 22.45 C ATOM 1216 O SER A 77 11.946 3.271 -35.080 1.00 24.03 O ATOM 1217 CB SER A 77 13.870 5.020 -37.245 1.00 55.14 C ATOM 1218 OG SER A 77 15.204 4.543 -37.256 1.00 73.51 O ATOM 0 H SER A 77 15.173 5.972 -35.361 1.00 53.34 H new ATOM 0 HA SER A 77 12.371 5.627 -35.828 1.00 44.13 H new ATOM 0 HB2 SER A 77 13.241 4.362 -37.844 1.00 55.14 H new ATOM 0 HB3 SER A 77 13.830 6.007 -37.706 1.00 55.14 H new ATOM 0 HG SER A 77 15.529 4.502 -38.180 1.00 73.51 H new ATOM 1224 N VAL A 78 14.175 2.964 -35.037 1.00 60.13 N ATOM 1225 CA VAL A 78 14.088 1.605 -34.517 1.00 62.43 C ATOM 1226 C VAL A 78 14.932 1.443 -33.258 1.00 14.24 C ATOM 1227 O VAL A 78 14.546 0.738 -32.326 1.00 34.42 O ATOM 1228 CB VAL A 78 14.547 0.573 -35.565 1.00 32.44 C ATOM 1229 CG1 VAL A 78 14.322 -0.843 -35.054 1.00 42.51 C ATOM 1230 CG2 VAL A 78 13.821 0.794 -36.883 1.00 63.03 C ATOM 0 H VAL A 78 15.127 3.295 -35.195 1.00 60.13 H new ATOM 0 HA VAL A 78 13.041 1.425 -34.274 1.00 62.43 H new ATOM 0 HB VAL A 78 15.615 0.706 -35.738 1.00 32.44 H new ATOM 0 HG11 VAL A 78 14.652 -1.558 -35.807 1.00 42.51 H new ATOM 0 HG12 VAL A 78 14.891 -0.994 -34.137 1.00 42.51 H new ATOM 0 HG13 VAL A 78 13.261 -0.993 -34.852 1.00 42.51 H new ATOM 0 HG21 VAL A 78 14.157 0.056 -37.612 1.00 63.03 H new ATOM 0 HG22 VAL A 78 12.747 0.688 -36.729 1.00 63.03 H new ATOM 0 HG23 VAL A 78 14.038 1.796 -37.254 1.00 63.03 H new TER 1240 VAL A 78