USER MOD reduce.3.24.130724 H: found=0, std=0, add=633, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 633 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 54 LYS NZ :NH3+ 139:sc= -1.07! (180deg=-3.74!) USER MOD Set 1.2: A 58 GLN : amide:sc= -0.608! K(o=-1.7!,f=-6.6) USER MOD Single : A 1 ALA N :NH3+ 145:sc= 0.00921 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=-0.009) USER MOD Single : A 8 SER OG : rot 180:sc= -0.0183 USER MOD Single : A 9 THR OG1 : rot -25:sc= 0.588 USER MOD Single : A 11 LYS NZ :NH3+ 169:sc= -0.0197 (180deg=-0.189) USER MOD Single : A 12 LYS NZ :NH3+ -165:sc= -0.0308 (180deg=-0.302) USER MOD Single : A 14 CYS SG : rot 180:sc=-0.00772 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc=-0.00411 USER MOD Single : A 18 LYS NZ :NH3+ -161:sc= -0.0981 (180deg=-0.473) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 GLN :FLIP amide:sc= -0.165 F(o=-2.1,f=-0.17) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN :FLIP amide:sc= -1.21 F(o=-3.5!,f=-1.2) USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.241 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -0.739 K(o=-0.74,f=-4.7!) USER MOD Single : A 59 ASN : amide:sc= 0.528 K(o=0.53,f=0) USER MOD Single : A 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 171:sc= 0.644 (180deg=0.513) USER MOD Single : A 64 MET CE :methyl -177:sc= -0.74 (180deg=-0.8) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ -155:sc= -2.1! (180deg=-3.6!) USER MOD Single : A 67 MET CE :methyl -163:sc= -0.106 (180deg=-0.585) USER MOD Single : A 68 ASN : amide:sc= -0.988 X(o=-0.99,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -7.413 29.330 -0.370 1.00 0.00 N ATOM 2 CA ALA A 1 -7.022 28.886 0.993 1.00 0.00 C ATOM 3 C ALA A 1 -5.509 28.725 1.103 1.00 0.00 C ATOM 4 O ALA A 1 -4.859 28.232 0.181 1.00 0.00 O ATOM 5 CB ALA A 1 -7.718 27.579 1.342 1.00 0.00 C ATOM 0 H1 ALA A 1 -8.322 28.896 -0.629 1.00 0.00 H new ATOM 0 H2 ALA A 1 -7.508 30.366 -0.384 1.00 0.00 H new ATOM 0 H3 ALA A 1 -6.684 29.040 -1.052 1.00 0.00 H new ATOM 0 HA ALA A 1 -7.334 29.653 1.702 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -7.422 27.265 2.343 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -8.798 27.722 1.311 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -7.433 26.812 0.622 1.00 0.00 H new ATOM 13 N ASN A 2 -4.959 29.146 2.239 1.00 0.00 N ATOM 14 CA ASN A 2 -3.521 29.054 2.482 1.00 0.00 C ATOM 15 C ASN A 2 -2.735 29.818 1.420 1.00 0.00 C ATOM 16 O ASN A 2 -1.590 29.480 1.120 1.00 0.00 O ATOM 17 CB ASN A 2 -3.074 27.591 2.507 1.00 0.00 C ATOM 18 CG ASN A 2 -3.782 26.787 3.580 1.00 0.00 C ATOM 19 OD1 ASN A 2 -4.168 27.322 4.619 1.00 0.00 O ATOM 20 ND2 ASN A 2 -3.954 25.494 3.334 1.00 0.00 N ATOM 0 H ASN A 2 -5.489 29.556 3.008 1.00 0.00 H new ATOM 0 HA ASN A 2 -3.318 29.505 3.453 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -3.265 27.139 1.534 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -1.998 27.546 2.674 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -4.422 24.902 4.020 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -3.618 25.092 2.459 1.00 0.00 H new ATOM 27 N TRP A 3 -3.355 30.853 0.859 1.00 0.00 N ATOM 28 CA TRP A 3 -2.711 31.660 -0.169 1.00 0.00 C ATOM 29 C TRP A 3 -3.283 33.074 -0.191 1.00 0.00 C ATOM 30 O TRP A 3 -2.589 34.029 -0.539 1.00 0.00 O ATOM 31 CB TRP A 3 -2.884 31.004 -1.540 1.00 0.00 C ATOM 32 CG TRP A 3 -2.082 31.662 -2.622 1.00 0.00 C ATOM 33 CD1 TRP A 3 -2.505 32.632 -3.484 1.00 0.00 C ATOM 34 CD2 TRP A 3 -0.716 31.395 -2.957 1.00 0.00 C ATOM 35 NE1 TRP A 3 -1.487 32.983 -4.336 1.00 0.00 N ATOM 36 CE2 TRP A 3 -0.377 32.238 -4.032 1.00 0.00 C ATOM 37 CE3 TRP A 3 0.254 30.524 -2.453 1.00 0.00 C ATOM 38 CZ2 TRP A 3 0.890 32.235 -4.611 1.00 0.00 C ATOM 39 CZ3 TRP A 3 1.511 30.523 -3.027 1.00 0.00 C ATOM 40 CH2 TRP A 3 1.819 31.373 -4.096 1.00 0.00 C ATOM 0 H TRP A 3 -4.300 31.151 1.099 1.00 0.00 H new ATOM 0 HA TRP A 3 -1.648 31.724 0.065 1.00 0.00 H new ATOM 0 HB2 TRP A 3 -2.595 29.955 -1.471 1.00 0.00 H new ATOM 0 HB3 TRP A 3 -3.939 31.027 -1.815 1.00 0.00 H new ATOM 0 HD1 TRP A 3 -3.496 33.061 -3.494 1.00 0.00 H new ATOM 0 HE1 TRP A 3 -1.547 33.684 -5.075 1.00 0.00 H new ATOM 0 HE3 TRP A 3 0.025 29.864 -1.630 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 1.130 32.889 -5.436 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 2.269 29.855 -2.644 1.00 0.00 H new ATOM 0 HH2 TRP A 3 2.811 31.348 -4.523 1.00 0.00 H new ATOM 51 N ILE A 4 -4.551 33.201 0.187 1.00 0.00 N ATOM 52 CA ILE A 4 -5.215 34.498 0.208 1.00 0.00 C ATOM 53 C ILE A 4 -4.898 35.256 1.495 1.00 0.00 C ATOM 54 O ILE A 4 -4.597 36.450 1.464 1.00 0.00 O ATOM 55 CB ILE A 4 -6.743 34.348 0.075 1.00 0.00 C ATOM 56 CG1 ILE A 4 -7.086 33.508 -1.159 1.00 0.00 C ATOM 57 CG2 ILE A 4 -7.406 35.716 -0.006 1.00 0.00 C ATOM 58 CD1 ILE A 4 -8.552 33.143 -1.260 1.00 0.00 C ATOM 0 H ILE A 4 -5.138 32.421 0.483 1.00 0.00 H new ATOM 0 HA ILE A 4 -4.838 35.062 -0.645 1.00 0.00 H new ATOM 0 HB ILE A 4 -7.123 33.836 0.959 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -6.795 34.058 -2.054 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -6.494 32.593 -1.141 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -8.485 35.592 -0.100 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -7.183 36.283 0.898 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -7.026 36.254 -0.874 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -8.718 32.549 -2.159 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -8.844 32.565 -0.383 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -9.151 34.052 -1.311 1.00 0.00 H new ATOM 70 N HIS A 5 -4.964 34.555 2.622 1.00 0.00 N ATOM 71 CA HIS A 5 -4.686 35.163 3.918 1.00 0.00 C ATOM 72 C HIS A 5 -4.269 34.104 4.936 1.00 0.00 C ATOM 73 O HIS A 5 -3.559 34.398 5.898 1.00 0.00 O ATOM 74 CB HIS A 5 -5.919 35.919 4.422 1.00 0.00 C ATOM 75 CG HIS A 5 -5.703 36.632 5.721 1.00 0.00 C ATOM 76 ND1 HIS A 5 -6.073 36.105 6.942 1.00 0.00 N ATOM 77 CD2 HIS A 5 -5.157 37.843 5.989 1.00 0.00 C ATOM 78 CE1 HIS A 5 -5.765 36.960 7.901 1.00 0.00 C ATOM 79 NE2 HIS A 5 -5.209 38.022 7.349 1.00 0.00 N ATOM 0 H HIS A 5 -5.208 33.565 2.664 1.00 0.00 H new ATOM 0 HA HIS A 5 -3.862 35.866 3.796 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -6.223 36.644 3.667 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -6.743 35.215 4.538 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -4.755 38.538 5.267 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -5.939 36.815 8.957 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -4.872 38.843 7.852 1.00 0.00 H new ATOM 88 N ALA A 6 -4.715 32.871 4.715 1.00 0.00 N ATOM 89 CA ALA A 6 -4.388 31.767 5.609 1.00 0.00 C ATOM 90 C ALA A 6 -2.939 31.325 5.431 1.00 0.00 C ATOM 91 O ALA A 6 -2.290 31.675 4.445 1.00 0.00 O ATOM 92 CB ALA A 6 -5.329 30.597 5.368 1.00 0.00 C ATOM 0 H ALA A 6 -5.304 32.612 3.924 1.00 0.00 H new ATOM 0 HA ALA A 6 -4.511 32.115 6.634 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -5.073 29.780 6.042 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -6.356 30.912 5.553 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -5.233 30.259 4.336 1.00 0.00 H new ATOM 98 N ARG A 7 -2.441 30.554 6.392 1.00 0.00 N ATOM 99 CA ARG A 7 -1.069 30.059 6.347 1.00 0.00 C ATOM 100 C ARG A 7 -1.024 28.561 6.630 1.00 0.00 C ATOM 101 O ARG A 7 -1.929 28.011 7.259 1.00 0.00 O ATOM 102 CB ARG A 7 -0.199 30.807 7.360 1.00 0.00 C ATOM 103 CG ARG A 7 -0.121 32.304 7.111 1.00 0.00 C ATOM 104 CD ARG A 7 0.705 33.003 8.179 1.00 0.00 C ATOM 105 NE ARG A 7 2.071 32.488 8.238 1.00 0.00 N ATOM 106 CZ ARG A 7 3.008 32.970 9.050 1.00 0.00 C ATOM 107 NH1 ARG A 7 2.731 33.981 9.864 1.00 0.00 N ATOM 108 NH2 ARG A 7 4.225 32.442 9.046 1.00 0.00 N ATOM 0 H ARG A 7 -2.968 30.258 7.213 1.00 0.00 H new ATOM 0 HA ARG A 7 -0.678 30.235 5.345 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -0.593 30.634 8.361 1.00 0.00 H new ATOM 0 HB3 ARG A 7 0.808 30.391 7.338 1.00 0.00 H new ATOM 0 HG2 ARG A 7 0.318 32.489 6.131 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -1.127 32.724 7.094 1.00 0.00 H new ATOM 0 HD2 ARG A 7 0.730 34.074 7.976 1.00 0.00 H new ATOM 0 HD3 ARG A 7 0.227 32.874 9.150 1.00 0.00 H new ATOM 0 HE ARG A 7 2.320 31.715 7.621 1.00 0.00 H new ATOM 0 HH11 ARG A 7 1.797 34.391 9.868 1.00 0.00 H new ATOM 0 HH12 ARG A 7 3.452 34.348 10.485 1.00 0.00 H new ATOM 0 HH21 ARG A 7 4.442 31.666 8.420 1.00 0.00 H new ATOM 0 HH22 ARG A 7 4.943 32.812 9.669 1.00 0.00 H new ATOM 122 N SER A 8 0.032 27.905 6.161 1.00 0.00 N ATOM 123 CA SER A 8 0.195 26.471 6.368 1.00 0.00 C ATOM 124 C SER A 8 1.263 26.193 7.419 1.00 0.00 C ATOM 125 O SER A 8 2.116 27.039 7.688 1.00 0.00 O ATOM 126 CB SER A 8 0.564 25.782 5.052 1.00 0.00 C ATOM 127 OG SER A 8 0.703 24.383 5.230 1.00 0.00 O ATOM 0 H SER A 8 0.788 28.344 5.635 1.00 0.00 H new ATOM 0 HA SER A 8 -0.754 26.070 6.725 1.00 0.00 H new ATOM 0 HB2 SER A 8 -0.204 25.982 4.305 1.00 0.00 H new ATOM 0 HB3 SER A 8 1.496 26.197 4.669 1.00 0.00 H new ATOM 0 HG SER A 8 0.937 23.966 4.375 1.00 0.00 H new ATOM 133 N THR A 9 1.210 25.004 8.010 1.00 0.00 N ATOM 134 CA THR A 9 2.173 24.618 9.034 1.00 0.00 C ATOM 135 C THR A 9 2.357 23.104 9.072 1.00 0.00 C ATOM 136 O THR A 9 3.208 22.591 9.799 1.00 0.00 O ATOM 137 CB THR A 9 1.736 25.109 10.426 1.00 0.00 C ATOM 138 OG1 THR A 9 2.694 24.708 11.413 1.00 0.00 O ATOM 139 CG2 THR A 9 0.365 24.556 10.791 1.00 0.00 C ATOM 0 H THR A 9 0.511 24.292 7.798 1.00 0.00 H new ATOM 0 HA THR A 9 3.121 25.088 8.773 1.00 0.00 H new ATOM 0 HB THR A 9 1.677 26.197 10.398 1.00 0.00 H new ATOM 0 HG1 THR A 9 3.172 23.912 11.100 1.00 0.00 H new ATOM 0 HG21 THR A 9 0.078 24.917 11.779 1.00 0.00 H new ATOM 0 HG22 THR A 9 -0.369 24.888 10.056 1.00 0.00 H new ATOM 0 HG23 THR A 9 0.403 23.467 10.800 1.00 0.00 H new ATOM 147 N ARG A 10 1.556 22.396 8.283 1.00 0.00 N ATOM 148 CA ARG A 10 1.627 20.941 8.226 1.00 0.00 C ATOM 149 C ARG A 10 1.968 20.464 6.818 1.00 0.00 C ATOM 150 O ARG A 10 1.403 20.946 5.835 1.00 0.00 O ATOM 151 CB ARG A 10 0.299 20.328 8.676 1.00 0.00 C ATOM 152 CG ARG A 10 -0.054 20.625 10.127 1.00 0.00 C ATOM 153 CD ARG A 10 0.718 19.735 11.090 1.00 0.00 C ATOM 154 NE ARG A 10 2.154 20.001 11.063 1.00 0.00 N ATOM 155 CZ ARG A 10 3.064 19.196 11.604 1.00 0.00 C ATOM 156 NH1 ARG A 10 2.687 18.082 12.218 1.00 0.00 N ATOM 157 NH2 ARG A 10 4.352 19.505 11.535 1.00 0.00 N ATOM 0 H ARG A 10 0.849 22.807 7.673 1.00 0.00 H new ATOM 0 HA ARG A 10 2.419 20.616 8.900 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -0.499 20.701 8.034 1.00 0.00 H new ATOM 0 HB3 ARG A 10 0.342 19.248 8.536 1.00 0.00 H new ATOM 0 HG2 ARG A 10 0.161 21.671 10.347 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -1.124 20.481 10.278 1.00 0.00 H new ATOM 0 HD2 ARG A 10 0.342 19.887 12.102 1.00 0.00 H new ATOM 0 HD3 ARG A 10 0.540 18.690 10.837 1.00 0.00 H new ATOM 0 HE ARG A 10 2.477 20.852 10.603 1.00 0.00 H new ATOM 0 HH11 ARG A 10 1.697 17.841 12.276 1.00 0.00 H new ATOM 0 HH12 ARG A 10 3.387 17.466 12.632 1.00 0.00 H new ATOM 0 HH21 ARG A 10 4.647 20.362 11.066 1.00 0.00 H new ATOM 0 HH22 ARG A 10 5.048 18.886 11.951 1.00 0.00 H new ATOM 171 N LYS A 11 2.893 19.514 6.729 1.00 0.00 N ATOM 172 CA LYS A 11 3.310 18.967 5.442 1.00 0.00 C ATOM 173 C LYS A 11 2.836 17.526 5.287 1.00 0.00 C ATOM 174 O LYS A 11 2.964 16.719 6.209 1.00 0.00 O ATOM 175 CB LYS A 11 4.832 19.035 5.302 1.00 0.00 C ATOM 176 CG LYS A 11 5.579 18.340 6.428 1.00 0.00 C ATOM 177 CD LYS A 11 7.079 18.336 6.184 1.00 0.00 C ATOM 178 CE LYS A 11 7.832 17.720 7.351 1.00 0.00 C ATOM 179 NZ LYS A 11 7.399 16.321 7.616 1.00 0.00 N ATOM 0 H LYS A 11 3.369 19.106 7.534 1.00 0.00 H new ATOM 0 HA LYS A 11 2.855 19.568 4.655 1.00 0.00 H new ATOM 0 HB2 LYS A 11 5.122 18.584 4.353 1.00 0.00 H new ATOM 0 HB3 LYS A 11 5.139 20.080 5.265 1.00 0.00 H new ATOM 0 HG2 LYS A 11 5.364 18.841 7.372 1.00 0.00 H new ATOM 0 HG3 LYS A 11 5.222 17.314 6.524 1.00 0.00 H new ATOM 0 HD2 LYS A 11 7.299 17.779 5.273 1.00 0.00 H new ATOM 0 HD3 LYS A 11 7.425 19.357 6.025 1.00 0.00 H new ATOM 0 HE2 LYS A 11 8.902 17.735 7.141 1.00 0.00 H new ATOM 0 HE3 LYS A 11 7.674 18.324 8.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 8.056 15.876 8.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 6.441 16.325 8.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 7.397 15.784 6.726 1.00 0.00 H new ATOM 193 N LYS A 12 2.291 17.212 4.115 1.00 0.00 N ATOM 194 CA LYS A 12 1.797 15.868 3.828 1.00 0.00 C ATOM 195 C LYS A 12 0.758 15.426 4.855 1.00 0.00 C ATOM 196 O LYS A 12 1.103 14.930 5.928 1.00 0.00 O ATOM 197 CB LYS A 12 2.958 14.869 3.796 1.00 0.00 C ATOM 198 CG LYS A 12 3.968 15.146 2.695 1.00 0.00 C ATOM 199 CD LYS A 12 5.084 14.113 2.690 1.00 0.00 C ATOM 200 CE LYS A 12 6.066 14.362 1.557 1.00 0.00 C ATOM 201 NZ LYS A 12 5.404 14.308 0.225 1.00 0.00 N ATOM 0 H LYS A 12 2.180 17.873 3.346 1.00 0.00 H new ATOM 0 HA LYS A 12 1.318 15.893 2.849 1.00 0.00 H new ATOM 0 HB2 LYS A 12 3.469 14.887 4.759 1.00 0.00 H new ATOM 0 HB3 LYS A 12 2.558 13.863 3.666 1.00 0.00 H new ATOM 0 HG2 LYS A 12 3.464 15.143 1.728 1.00 0.00 H new ATOM 0 HG3 LYS A 12 4.392 16.141 2.831 1.00 0.00 H new ATOM 0 HD2 LYS A 12 5.612 14.141 3.643 1.00 0.00 H new ATOM 0 HD3 LYS A 12 4.657 13.115 2.591 1.00 0.00 H new ATOM 0 HE2 LYS A 12 6.534 15.337 1.690 1.00 0.00 H new ATOM 0 HE3 LYS A 12 6.862 13.618 1.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 6.126 14.228 -0.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 4.772 13.483 0.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 4.850 15.176 0.077 1.00 0.00 H new ATOM 215 N ARG A 13 -0.516 15.613 4.521 1.00 0.00 N ATOM 216 CA ARG A 13 -1.605 15.230 5.412 1.00 0.00 C ATOM 217 C ARG A 13 -1.747 13.712 5.456 1.00 0.00 C ATOM 218 O ARG A 13 -1.667 13.100 6.522 1.00 0.00 O ATOM 219 CB ARG A 13 -2.918 15.872 4.948 1.00 0.00 C ATOM 220 CG ARG A 13 -4.004 15.904 6.016 1.00 0.00 C ATOM 221 CD ARG A 13 -4.711 14.564 6.150 1.00 0.00 C ATOM 222 NE ARG A 13 -5.318 14.136 4.892 1.00 0.00 N ATOM 223 CZ ARG A 13 -6.249 13.190 4.808 1.00 0.00 C ATOM 224 NH1 ARG A 13 -6.683 12.583 5.904 1.00 0.00 N ATOM 225 NH2 ARG A 13 -6.746 12.851 3.627 1.00 0.00 N ATOM 0 H ARG A 13 -0.819 16.028 3.640 1.00 0.00 H new ATOM 0 HA ARG A 13 -1.375 15.586 6.416 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -2.716 16.891 4.620 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -3.291 15.326 4.081 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -3.562 16.178 6.974 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -4.733 16.675 5.769 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -3.998 13.810 6.483 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -5.481 14.636 6.918 1.00 0.00 H new ATOM 0 HE ARG A 13 -5.011 14.588 4.031 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -6.303 12.841 6.815 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -7.397 11.858 5.837 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -6.414 13.316 2.782 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -7.460 12.125 3.563 1.00 0.00 H new ATOM 239 N CYS A 14 -1.954 13.111 4.289 1.00 0.00 N ATOM 240 CA CYS A 14 -2.104 11.665 4.185 1.00 0.00 C ATOM 241 C CYS A 14 -1.786 11.192 2.768 1.00 0.00 C ATOM 242 O CYS A 14 -2.692 10.985 1.958 1.00 0.00 O ATOM 243 CB CYS A 14 -3.523 11.246 4.573 1.00 0.00 C ATOM 244 SG CYS A 14 -3.817 9.463 4.484 1.00 0.00 S ATOM 0 H CYS A 14 -2.022 13.605 3.399 1.00 0.00 H new ATOM 0 HA CYS A 14 -1.400 11.198 4.874 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -3.726 11.587 5.588 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -4.232 11.753 3.919 1.00 0.00 H new ATOM 0 HG CYS A 14 -5.043 9.207 4.832 1.00 0.00 H new ATOM 250 N PRO A 15 -0.490 11.024 2.444 1.00 0.00 N ATOM 251 CA PRO A 15 -0.051 10.580 1.123 1.00 0.00 C ATOM 252 C PRO A 15 -0.109 9.069 0.971 1.00 0.00 C ATOM 253 O PRO A 15 0.615 8.483 0.166 1.00 0.00 O ATOM 254 CB PRO A 15 1.401 11.070 1.039 1.00 0.00 C ATOM 255 CG PRO A 15 1.720 11.704 2.358 1.00 0.00 C ATOM 256 CD PRO A 15 0.657 11.257 3.324 1.00 0.00 C ATOM 0 HA PRO A 15 -0.692 10.971 0.333 1.00 0.00 H new ATOM 0 HB2 PRO A 15 2.078 10.240 0.835 1.00 0.00 H new ATOM 0 HB3 PRO A 15 1.521 11.787 0.226 1.00 0.00 H new ATOM 0 HG2 PRO A 15 2.708 11.401 2.704 1.00 0.00 H new ATOM 0 HG3 PRO A 15 1.732 12.791 2.272 1.00 0.00 H new ATOM 0 HD2 PRO A 15 0.949 10.353 3.859 1.00 0.00 H new ATOM 0 HD3 PRO A 15 0.445 12.018 4.075 1.00 0.00 H new ATOM 264 N TYR A 16 -0.980 8.453 1.749 1.00 0.00 N ATOM 265 CA TYR A 16 -1.156 7.012 1.720 1.00 0.00 C ATOM 266 C TYR A 16 -2.260 6.620 0.749 1.00 0.00 C ATOM 267 O TYR A 16 -3.033 7.464 0.293 1.00 0.00 O ATOM 268 CB TYR A 16 -1.497 6.506 3.116 1.00 0.00 C ATOM 269 CG TYR A 16 -0.322 5.920 3.868 1.00 0.00 C ATOM 270 CD1 TYR A 16 0.742 6.719 4.269 1.00 0.00 C ATOM 271 CD2 TYR A 16 -0.281 4.567 4.179 1.00 0.00 C ATOM 272 CE1 TYR A 16 1.815 6.184 4.959 1.00 0.00 C ATOM 273 CE2 TYR A 16 0.787 4.025 4.868 1.00 0.00 C ATOM 274 CZ TYR A 16 1.832 4.838 5.255 1.00 0.00 C ATOM 275 OH TYR A 16 2.896 4.301 5.944 1.00 0.00 O ATOM 0 H TYR A 16 -1.583 8.934 2.416 1.00 0.00 H new ATOM 0 HA TYR A 16 -0.223 6.559 1.384 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -1.912 7.329 3.697 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -2.277 5.748 3.035 1.00 0.00 H new ATOM 0 HD1 TYR A 16 0.731 7.774 4.038 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -1.098 3.928 3.877 1.00 0.00 H new ATOM 0 HE1 TYR A 16 2.635 6.817 5.264 1.00 0.00 H new ATOM 0 HE2 TYR A 16 0.804 2.971 5.102 1.00 0.00 H new ATOM 0 HH TYR A 16 2.751 3.340 6.072 1.00 0.00 H new ATOM 285 N THR A 17 -2.327 5.333 0.438 1.00 0.00 N ATOM 286 CA THR A 17 -3.336 4.816 -0.480 1.00 0.00 C ATOM 287 C THR A 17 -4.479 4.146 0.283 1.00 0.00 C ATOM 288 O THR A 17 -4.496 4.146 1.514 1.00 0.00 O ATOM 289 CB THR A 17 -2.726 3.817 -1.485 1.00 0.00 C ATOM 290 OG1 THR A 17 -3.701 3.446 -2.467 1.00 0.00 O ATOM 291 CG2 THR A 17 -2.217 2.572 -0.777 1.00 0.00 C ATOM 0 H THR A 17 -1.693 4.625 0.808 1.00 0.00 H new ATOM 0 HA THR A 17 -3.731 5.667 -1.035 1.00 0.00 H new ATOM 0 HB THR A 17 -1.884 4.306 -1.975 1.00 0.00 H new ATOM 0 HG1 THR A 17 -3.303 2.813 -3.101 1.00 0.00 H new ATOM 0 HG21 THR A 17 -1.792 1.885 -1.509 1.00 0.00 H new ATOM 0 HG22 THR A 17 -1.450 2.852 -0.055 1.00 0.00 H new ATOM 0 HG23 THR A 17 -3.043 2.085 -0.259 1.00 0.00 H new ATOM 299 N LYS A 18 -5.429 3.577 -0.454 1.00 0.00 N ATOM 300 CA LYS A 18 -6.574 2.905 0.153 1.00 0.00 C ATOM 301 C LYS A 18 -6.221 1.481 0.575 1.00 0.00 C ATOM 302 O LYS A 18 -6.774 0.955 1.540 1.00 0.00 O ATOM 303 CB LYS A 18 -7.750 2.879 -0.825 1.00 0.00 C ATOM 304 CG LYS A 18 -7.397 2.281 -2.178 1.00 0.00 C ATOM 305 CD LYS A 18 -8.598 2.256 -3.110 1.00 0.00 C ATOM 306 CE LYS A 18 -9.628 1.227 -2.667 1.00 0.00 C ATOM 307 NZ LYS A 18 -9.073 -0.154 -2.676 1.00 0.00 N ATOM 0 H LYS A 18 -5.428 3.568 -1.474 1.00 0.00 H new ATOM 0 HA LYS A 18 -6.857 3.465 1.044 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -8.566 2.306 -0.385 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -8.115 3.896 -0.970 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -6.594 2.860 -2.634 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -7.021 1.267 -2.041 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -9.058 3.244 -3.138 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -8.268 2.029 -4.124 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -9.977 1.471 -1.664 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -10.495 1.274 -3.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -9.853 -0.842 -2.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -8.483 -0.285 -3.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -8.495 -0.301 -1.824 1.00 0.00 H new ATOM 321 N TYR A 19 -5.300 0.863 -0.157 1.00 0.00 N ATOM 322 CA TYR A 19 -4.878 -0.504 0.136 1.00 0.00 C ATOM 323 C TYR A 19 -4.052 -0.561 1.418 1.00 0.00 C ATOM 324 O TYR A 19 -4.237 -1.447 2.253 1.00 0.00 O ATOM 325 CB TYR A 19 -4.065 -1.060 -1.030 1.00 0.00 C ATOM 326 CG TYR A 19 -4.197 -2.554 -1.199 1.00 0.00 C ATOM 327 CD1 TYR A 19 -5.255 -3.098 -1.916 1.00 0.00 C ATOM 328 CD2 TYR A 19 -3.265 -3.420 -0.645 1.00 0.00 C ATOM 329 CE1 TYR A 19 -5.380 -4.465 -2.075 1.00 0.00 C ATOM 330 CE2 TYR A 19 -3.382 -4.788 -0.799 1.00 0.00 C ATOM 331 CZ TYR A 19 -4.440 -5.305 -1.516 1.00 0.00 C ATOM 332 OH TYR A 19 -4.560 -6.667 -1.672 1.00 0.00 O ATOM 0 H TYR A 19 -4.831 1.286 -0.958 1.00 0.00 H new ATOM 0 HA TYR A 19 -5.771 -1.112 0.278 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -4.382 -0.569 -1.950 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -3.014 -0.811 -0.881 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -5.992 -2.442 -2.356 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -2.434 -3.018 -0.084 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -6.209 -4.873 -2.634 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -2.649 -5.449 -0.360 1.00 0.00 H new ATOM 0 HH TYR A 19 -3.816 -7.115 -1.218 1.00 0.00 H new ATOM 342 N GLN A 20 -3.135 0.389 1.562 1.00 0.00 N ATOM 343 CA GLN A 20 -2.275 0.456 2.739 1.00 0.00 C ATOM 344 C GLN A 20 -3.100 0.601 4.015 1.00 0.00 C ATOM 345 O GLN A 20 -2.994 -0.218 4.928 1.00 0.00 O ATOM 346 CB GLN A 20 -1.295 1.624 2.612 1.00 0.00 C ATOM 347 CG GLN A 20 -0.148 1.358 1.649 1.00 0.00 C ATOM 348 CD GLN A 20 0.757 0.231 2.109 1.00 0.00 C ATOM 349 OE1 GLN A 20 0.885 0.071 3.421 1.00 0.00 O flip ATOM 350 NE2 GLN A 20 1.336 -0.485 1.294 1.00 0.00 N flip ATOM 0 H GLN A 20 -2.967 1.126 0.877 1.00 0.00 H new ATOM 0 HA GLN A 20 -1.714 -0.476 2.801 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -1.839 2.508 2.280 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -0.886 1.852 3.596 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -0.553 1.114 0.667 1.00 0.00 H new ATOM 0 HG3 GLN A 20 0.442 2.267 1.534 1.00 0.00 H new ATOM 0 HE21 GLN A 20 1.209 -0.326 0.295 1.00 0.00 H new ATOM 0 HE22 GLN A 20 1.944 -1.238 1.617 1.00 0.00 H new ATOM 359 N THR A 21 -3.919 1.645 4.068 1.00 0.00 N ATOM 360 CA THR A 21 -4.760 1.901 5.231 1.00 0.00 C ATOM 361 C THR A 21 -5.753 0.764 5.464 1.00 0.00 C ATOM 362 O THR A 21 -6.228 0.565 6.581 1.00 0.00 O ATOM 363 CB THR A 21 -5.542 3.218 5.074 1.00 0.00 C ATOM 364 OG1 THR A 21 -6.343 3.454 6.238 1.00 0.00 O ATOM 365 CG2 THR A 21 -6.433 3.171 3.841 1.00 0.00 C ATOM 0 H THR A 21 -4.019 2.329 3.318 1.00 0.00 H new ATOM 0 HA THR A 21 -4.092 1.975 6.089 1.00 0.00 H new ATOM 0 HB THR A 21 -4.825 4.031 4.956 1.00 0.00 H new ATOM 0 HG1 THR A 21 -6.836 4.294 6.131 1.00 0.00 H new ATOM 0 HG21 THR A 21 -6.977 4.111 3.749 1.00 0.00 H new ATOM 0 HG22 THR A 21 -5.819 3.019 2.954 1.00 0.00 H new ATOM 0 HG23 THR A 21 -7.143 2.349 3.936 1.00 0.00 H new ATOM 373 N LEU A 22 -6.058 0.023 4.403 1.00 0.00 N ATOM 374 CA LEU A 22 -6.997 -1.089 4.486 1.00 0.00 C ATOM 375 C LEU A 22 -6.492 -2.166 5.446 1.00 0.00 C ATOM 376 O LEU A 22 -7.252 -2.688 6.257 1.00 0.00 O ATOM 377 CB LEU A 22 -7.233 -1.672 3.085 1.00 0.00 C ATOM 378 CG LEU A 22 -7.322 -3.197 2.999 1.00 0.00 C ATOM 379 CD1 LEU A 22 -8.606 -3.700 3.641 1.00 0.00 C ATOM 380 CD2 LEU A 22 -7.234 -3.653 1.551 1.00 0.00 C ATOM 0 H LEU A 22 -5.667 0.174 3.473 1.00 0.00 H new ATOM 0 HA LEU A 22 -7.944 -0.718 4.879 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -8.157 -1.251 2.689 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -6.426 -1.338 2.433 1.00 0.00 H new ATOM 0 HG LEU A 22 -6.480 -3.620 3.547 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -8.648 -4.787 3.568 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -8.628 -3.406 4.690 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -9.464 -3.269 3.125 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -7.299 -4.740 1.507 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -8.055 -3.217 0.982 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -6.285 -3.329 1.124 1.00 0.00 H new ATOM 392 N GLU A 23 -5.210 -2.492 5.347 1.00 0.00 N ATOM 393 CA GLU A 23 -4.613 -3.511 6.207 1.00 0.00 C ATOM 394 C GLU A 23 -4.335 -2.965 7.607 1.00 0.00 C ATOM 395 O GLU A 23 -4.561 -3.648 8.611 1.00 0.00 O ATOM 396 CB GLU A 23 -3.318 -4.025 5.575 1.00 0.00 C ATOM 397 CG GLU A 23 -3.544 -4.941 4.385 1.00 0.00 C ATOM 398 CD GLU A 23 -4.267 -6.219 4.760 1.00 0.00 C ATOM 399 OE1 GLU A 23 -3.586 -7.200 5.128 1.00 0.00 O ATOM 400 OE2 GLU A 23 -5.513 -6.243 4.684 1.00 0.00 O ATOM 0 H GLU A 23 -4.563 -2.068 4.682 1.00 0.00 H new ATOM 0 HA GLU A 23 -5.322 -4.333 6.305 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.715 -3.174 5.258 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -2.742 -4.560 6.330 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -4.121 -4.411 3.628 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -2.583 -5.191 3.936 1.00 0.00 H new ATOM 407 N LEU A 24 -3.852 -1.728 7.667 1.00 0.00 N ATOM 408 CA LEU A 24 -3.533 -1.090 8.939 1.00 0.00 C ATOM 409 C LEU A 24 -4.770 -0.956 9.822 1.00 0.00 C ATOM 410 O LEU A 24 -4.676 -1.030 11.048 1.00 0.00 O ATOM 411 CB LEU A 24 -2.915 0.290 8.698 1.00 0.00 C ATOM 412 CG LEU A 24 -1.653 0.298 7.831 1.00 0.00 C ATOM 413 CD1 LEU A 24 -1.168 1.723 7.618 1.00 0.00 C ATOM 414 CD2 LEU A 24 -0.560 -0.549 8.468 1.00 0.00 C ATOM 0 H LEU A 24 -3.673 -1.147 6.848 1.00 0.00 H new ATOM 0 HA LEU A 24 -2.814 -1.724 9.457 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -3.663 0.928 8.228 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -2.676 0.737 9.663 1.00 0.00 H new ATOM 0 HG LEU A 24 -1.897 -0.134 6.860 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -0.270 1.713 7.000 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -1.946 2.301 7.119 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.940 2.178 8.582 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.329 -0.531 7.837 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.315 -0.147 9.451 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.910 -1.576 8.572 1.00 0.00 H new ATOM 426 N GLU A 25 -5.928 -0.763 9.198 1.00 0.00 N ATOM 427 CA GLU A 25 -7.173 -0.615 9.942 1.00 0.00 C ATOM 428 C GLU A 25 -7.702 -1.971 10.397 1.00 0.00 C ATOM 429 O GLU A 25 -8.372 -2.068 11.426 1.00 0.00 O ATOM 430 CB GLU A 25 -8.228 0.110 9.100 1.00 0.00 C ATOM 431 CG GLU A 25 -8.708 -0.683 7.897 1.00 0.00 C ATOM 432 CD GLU A 25 -9.843 0.002 7.162 1.00 0.00 C ATOM 433 OE1 GLU A 25 -11.013 -0.216 7.542 1.00 0.00 O ATOM 434 OE2 GLU A 25 -9.563 0.756 6.208 1.00 0.00 O ATOM 0 H GLU A 25 -6.030 -0.706 8.185 1.00 0.00 H new ATOM 0 HA GLU A 25 -6.962 -0.014 10.826 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -9.084 0.346 9.732 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -7.815 1.058 8.756 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -7.875 -0.835 7.211 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -9.035 -1.670 8.224 1.00 0.00 H new ATOM 441 N LYS A 26 -7.400 -3.016 9.629 1.00 0.00 N ATOM 442 CA LYS A 26 -7.846 -4.363 9.969 1.00 0.00 C ATOM 443 C LYS A 26 -7.355 -4.753 11.357 1.00 0.00 C ATOM 444 O LYS A 26 -8.098 -5.333 12.147 1.00 0.00 O ATOM 445 CB LYS A 26 -7.351 -5.377 8.935 1.00 0.00 C ATOM 446 CG LYS A 26 -8.100 -5.318 7.612 1.00 0.00 C ATOM 447 CD LYS A 26 -9.538 -5.797 7.754 1.00 0.00 C ATOM 448 CE LYS A 26 -9.607 -7.283 8.070 1.00 0.00 C ATOM 449 NZ LYS A 26 -11.012 -7.756 8.213 1.00 0.00 N ATOM 0 H LYS A 26 -6.851 -2.955 8.771 1.00 0.00 H new ATOM 0 HA LYS A 26 -8.936 -4.368 9.966 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -6.291 -5.205 8.750 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -7.444 -6.381 9.350 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -8.093 -4.295 7.236 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -7.584 -5.932 6.874 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -10.033 -5.233 8.545 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -10.082 -5.596 6.831 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -9.113 -7.846 7.278 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -9.061 -7.484 8.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -11.016 -8.774 8.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -11.476 -7.237 8.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -11.527 -7.588 7.325 1.00 0.00 H new ATOM 463 N GLU A 27 -6.097 -4.432 11.647 1.00 0.00 N ATOM 464 CA GLU A 27 -5.517 -4.746 12.947 1.00 0.00 C ATOM 465 C GLU A 27 -5.894 -3.682 13.971 1.00 0.00 C ATOM 466 O GLU A 27 -6.062 -3.974 15.153 1.00 0.00 O ATOM 467 CB GLU A 27 -3.996 -4.853 12.845 1.00 0.00 C ATOM 468 CG GLU A 27 -3.520 -5.676 11.657 1.00 0.00 C ATOM 469 CD GLU A 27 -4.097 -7.078 11.649 1.00 0.00 C ATOM 470 OE1 GLU A 27 -3.479 -7.978 12.255 1.00 0.00 O ATOM 471 OE2 GLU A 27 -5.166 -7.276 11.034 1.00 0.00 O ATOM 0 H GLU A 27 -5.464 -3.958 11.003 1.00 0.00 H new ATOM 0 HA GLU A 27 -5.916 -5.707 13.273 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -3.574 -3.851 12.774 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -3.609 -5.297 13.762 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -3.797 -5.168 10.733 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -2.432 -5.735 11.674 1.00 0.00 H new ATOM 478 N PHE A 28 -6.025 -2.447 13.499 1.00 0.00 N ATOM 479 CA PHE A 28 -6.390 -1.322 14.354 1.00 0.00 C ATOM 480 C PHE A 28 -7.642 -1.636 15.173 1.00 0.00 C ATOM 481 O PHE A 28 -7.886 -1.022 16.212 1.00 0.00 O ATOM 482 CB PHE A 28 -6.620 -0.069 13.504 1.00 0.00 C ATOM 483 CG PHE A 28 -6.890 1.172 14.308 1.00 0.00 C ATOM 484 CD1 PHE A 28 -5.844 1.929 14.812 1.00 0.00 C ATOM 485 CD2 PHE A 28 -8.190 1.584 14.557 1.00 0.00 C ATOM 486 CE1 PHE A 28 -6.090 3.073 15.548 1.00 0.00 C ATOM 487 CE2 PHE A 28 -8.442 2.726 15.292 1.00 0.00 C ATOM 488 CZ PHE A 28 -7.391 3.472 15.789 1.00 0.00 C ATOM 0 H PHE A 28 -5.882 -2.198 12.520 1.00 0.00 H new ATOM 0 HA PHE A 28 -5.568 -1.141 15.046 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -5.744 0.099 12.878 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -7.461 -0.246 12.834 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -4.825 1.622 14.628 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -9.016 1.005 14.171 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -5.266 3.655 15.934 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -9.460 3.035 15.478 1.00 0.00 H new ATOM 0 HZ PHE A 28 -7.586 4.365 16.365 1.00 0.00 H new ATOM 498 N LEU A 29 -8.431 -2.592 14.693 1.00 0.00 N ATOM 499 CA LEU A 29 -9.669 -2.974 15.364 1.00 0.00 C ATOM 500 C LEU A 29 -9.401 -3.582 16.731 1.00 0.00 C ATOM 501 O LEU A 29 -9.866 -3.079 17.754 1.00 0.00 O ATOM 502 CB LEU A 29 -10.456 -3.969 14.504 1.00 0.00 C ATOM 503 CG LEU A 29 -10.588 -3.596 13.025 1.00 0.00 C ATOM 504 CD1 LEU A 29 -11.514 -4.567 12.309 1.00 0.00 C ATOM 505 CD2 LEU A 29 -11.090 -2.168 12.872 1.00 0.00 C ATOM 0 H LEU A 29 -8.235 -3.117 13.841 1.00 0.00 H new ATOM 0 HA LEU A 29 -10.258 -2.067 15.504 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -9.974 -4.944 14.574 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -11.456 -4.076 14.925 1.00 0.00 H new ATOM 0 HG LEU A 29 -9.601 -3.661 12.568 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -11.595 -4.285 11.259 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -11.110 -5.577 12.384 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -12.501 -4.536 12.770 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -11.176 -1.924 11.813 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -12.066 -2.073 13.347 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -10.387 -1.483 13.346 1.00 0.00 H new ATOM 517 N PHE A 30 -8.646 -4.664 16.732 1.00 0.00 N ATOM 518 CA PHE A 30 -8.319 -5.371 17.965 1.00 0.00 C ATOM 519 C PHE A 30 -6.889 -5.085 18.409 1.00 0.00 C ATOM 520 O PHE A 30 -6.658 -4.640 19.534 1.00 0.00 O ATOM 521 CB PHE A 30 -8.518 -6.876 17.766 1.00 0.00 C ATOM 522 CG PHE A 30 -8.974 -7.602 19.001 1.00 0.00 C ATOM 523 CD1 PHE A 30 -10.121 -7.204 19.672 1.00 0.00 C ATOM 524 CD2 PHE A 30 -8.263 -8.689 19.484 1.00 0.00 C ATOM 525 CE1 PHE A 30 -10.547 -7.876 20.801 1.00 0.00 C ATOM 526 CE2 PHE A 30 -8.685 -9.363 20.615 1.00 0.00 C ATOM 527 CZ PHE A 30 -9.828 -8.956 21.274 1.00 0.00 C ATOM 0 H PHE A 30 -8.244 -5.078 15.891 1.00 0.00 H new ATOM 0 HA PHE A 30 -8.988 -5.015 18.749 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -9.250 -7.034 16.974 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -7.580 -7.314 17.425 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -10.687 -6.359 19.308 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -7.369 -9.013 18.971 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -11.442 -7.557 21.314 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -8.121 -10.207 20.983 1.00 0.00 H new ATOM 0 HZ PHE A 30 -10.159 -9.481 22.158 1.00 0.00 H new ATOM 537 N ASN A 31 -5.945 -5.325 17.504 1.00 0.00 N ATOM 538 CA ASN A 31 -4.515 -5.121 17.773 1.00 0.00 C ATOM 539 C ASN A 31 -4.141 -5.479 19.213 1.00 0.00 C ATOM 540 O ASN A 31 -3.243 -4.870 19.796 1.00 0.00 O ATOM 541 CB ASN A 31 -4.117 -3.673 17.482 1.00 0.00 C ATOM 542 CG ASN A 31 -4.947 -2.676 18.264 1.00 0.00 C ATOM 543 OD1 ASN A 31 -6.064 -2.262 17.683 1.00 0.00 O flip ATOM 544 ND2 ASN A 31 -4.590 -2.287 19.376 1.00 0.00 N flip ATOM 0 H ASN A 31 -6.143 -5.666 16.563 1.00 0.00 H new ATOM 0 HA ASN A 31 -3.968 -5.791 17.110 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -3.063 -3.533 17.724 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -4.228 -3.476 16.416 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -3.722 -2.634 19.783 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -5.163 -1.618 19.890 1.00 0.00 H new ATOM 551 N MET A 32 -4.822 -6.471 19.782 1.00 0.00 N ATOM 552 CA MET A 32 -4.554 -6.894 21.147 1.00 0.00 C ATOM 553 C MET A 32 -3.367 -7.850 21.202 1.00 0.00 C ATOM 554 O MET A 32 -2.740 -8.013 22.248 1.00 0.00 O ATOM 555 CB MET A 32 -5.792 -7.566 21.737 1.00 0.00 C ATOM 556 CG MET A 32 -6.875 -6.587 22.165 1.00 0.00 C ATOM 557 SD MET A 32 -6.267 -5.341 23.319 1.00 0.00 S ATOM 558 CE MET A 32 -7.767 -4.415 23.638 1.00 0.00 C ATOM 0 H MET A 32 -5.563 -6.995 19.316 1.00 0.00 H new ATOM 0 HA MET A 32 -4.307 -6.010 21.735 1.00 0.00 H new ATOM 0 HB2 MET A 32 -6.207 -8.254 21.000 1.00 0.00 H new ATOM 0 HB3 MET A 32 -5.494 -8.164 22.598 1.00 0.00 H new ATOM 0 HG2 MET A 32 -7.282 -6.092 21.283 1.00 0.00 H new ATOM 0 HG3 MET A 32 -7.694 -7.137 22.628 1.00 0.00 H new ATOM 0 HE1 MET A 32 -7.554 -3.606 24.337 1.00 0.00 H new ATOM 0 HE2 MET A 32 -8.143 -3.998 22.704 1.00 0.00 H new ATOM 0 HE3 MET A 32 -8.519 -5.077 24.068 1.00 0.00 H new ATOM 568 N TYR A 33 -3.066 -8.474 20.070 1.00 0.00 N ATOM 569 CA TYR A 33 -1.955 -9.416 19.986 1.00 0.00 C ATOM 570 C TYR A 33 -1.696 -9.814 18.539 1.00 0.00 C ATOM 571 O TYR A 33 -2.558 -10.402 17.883 1.00 0.00 O ATOM 572 CB TYR A 33 -2.243 -10.663 20.827 1.00 0.00 C ATOM 573 CG TYR A 33 -1.131 -11.686 20.788 1.00 0.00 C ATOM 574 CD1 TYR A 33 0.029 -11.507 21.532 1.00 0.00 C ATOM 575 CD2 TYR A 33 -1.239 -12.830 20.006 1.00 0.00 C ATOM 576 CE1 TYR A 33 1.049 -12.438 21.498 1.00 0.00 C ATOM 577 CE2 TYR A 33 -0.222 -13.766 19.966 1.00 0.00 C ATOM 578 CZ TYR A 33 0.919 -13.564 20.714 1.00 0.00 C ATOM 579 OH TYR A 33 1.934 -14.492 20.675 1.00 0.00 O ATOM 0 H TYR A 33 -3.576 -8.345 19.196 1.00 0.00 H new ATOM 0 HA TYR A 33 -1.065 -8.925 20.378 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -2.414 -10.363 21.861 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -3.164 -11.126 20.473 1.00 0.00 H new ATOM 0 HD1 TYR A 33 0.135 -10.625 22.147 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -2.132 -12.990 19.420 1.00 0.00 H new ATOM 0 HE1 TYR A 33 1.944 -12.284 22.083 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -0.321 -14.650 19.353 1.00 0.00 H new ATOM 0 HH TYR A 33 1.683 -15.226 20.076 1.00 0.00 H new ATOM 589 N LEU A 34 -0.506 -9.494 18.047 1.00 0.00 N ATOM 590 CA LEU A 34 -0.136 -9.818 16.676 1.00 0.00 C ATOM 591 C LEU A 34 0.813 -11.009 16.642 1.00 0.00 C ATOM 592 O LEU A 34 1.637 -11.187 17.539 1.00 0.00 O ATOM 593 CB LEU A 34 0.509 -8.608 15.998 1.00 0.00 C ATOM 594 CG LEU A 34 0.468 -8.624 14.471 1.00 0.00 C ATOM 595 CD1 LEU A 34 -0.968 -8.550 13.971 1.00 0.00 C ATOM 596 CD2 LEU A 34 1.287 -7.474 13.908 1.00 0.00 C ATOM 0 H LEU A 34 0.219 -9.011 18.577 1.00 0.00 H new ATOM 0 HA LEU A 34 -1.042 -10.083 16.131 1.00 0.00 H new ATOM 0 HB2 LEU A 34 0.010 -7.705 16.350 1.00 0.00 H new ATOM 0 HB3 LEU A 34 1.549 -8.543 16.318 1.00 0.00 H new ATOM 0 HG LEU A 34 0.902 -9.562 14.125 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.975 -8.563 12.881 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.529 -9.405 14.347 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.430 -7.629 14.326 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.248 -7.499 12.819 1.00 0.00 H new ATOM 0 HD22 LEU A 34 0.879 -6.528 14.264 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.322 -7.569 14.236 1.00 0.00 H new ATOM 608 N THR A 35 0.690 -11.824 15.599 1.00 0.00 N ATOM 609 CA THR A 35 1.530 -13.005 15.450 1.00 0.00 C ATOM 610 C THR A 35 2.344 -12.943 14.163 1.00 0.00 C ATOM 611 O THR A 35 2.011 -12.199 13.241 1.00 0.00 O ATOM 612 CB THR A 35 0.688 -14.295 15.455 1.00 0.00 C ATOM 613 OG1 THR A 35 1.515 -15.424 15.147 1.00 0.00 O ATOM 614 CG2 THR A 35 -0.452 -14.203 14.452 1.00 0.00 C ATOM 0 H THR A 35 0.017 -11.687 14.845 1.00 0.00 H new ATOM 0 HA THR A 35 2.209 -13.021 16.302 1.00 0.00 H new ATOM 0 HB THR A 35 0.263 -14.420 16.451 1.00 0.00 H new ATOM 0 HG1 THR A 35 0.971 -16.239 15.154 1.00 0.00 H new ATOM 0 HG21 THR A 35 -1.032 -15.126 14.474 1.00 0.00 H new ATOM 0 HG22 THR A 35 -1.097 -13.363 14.710 1.00 0.00 H new ATOM 0 HG23 THR A 35 -0.045 -14.054 13.452 1.00 0.00 H new ATOM 622 N ARG A 36 3.414 -13.730 14.110 1.00 0.00 N ATOM 623 CA ARG A 36 4.281 -13.768 12.937 1.00 0.00 C ATOM 624 C ARG A 36 3.491 -14.158 11.694 1.00 0.00 C ATOM 625 O ARG A 36 3.742 -13.653 10.600 1.00 0.00 O ATOM 626 CB ARG A 36 5.423 -14.762 13.158 1.00 0.00 C ATOM 627 CG ARG A 36 6.587 -14.576 12.199 1.00 0.00 C ATOM 628 CD ARG A 36 7.350 -13.295 12.493 1.00 0.00 C ATOM 629 NE ARG A 36 7.905 -13.289 13.844 1.00 0.00 N ATOM 630 CZ ARG A 36 8.444 -12.218 14.418 1.00 0.00 C ATOM 631 NH1 ARG A 36 8.486 -11.062 13.768 1.00 0.00 N ATOM 632 NH2 ARG A 36 8.937 -12.301 15.646 1.00 0.00 N ATOM 0 H ARG A 36 3.702 -14.351 14.866 1.00 0.00 H new ATOM 0 HA ARG A 36 4.696 -12.771 12.787 1.00 0.00 H new ATOM 0 HB2 ARG A 36 5.787 -14.663 14.181 1.00 0.00 H new ATOM 0 HB3 ARG A 36 5.036 -15.776 13.054 1.00 0.00 H new ATOM 0 HG2 ARG A 36 7.262 -15.429 12.274 1.00 0.00 H new ATOM 0 HG3 ARG A 36 6.216 -14.553 11.174 1.00 0.00 H new ATOM 0 HD2 ARG A 36 8.156 -13.179 11.769 1.00 0.00 H new ATOM 0 HD3 ARG A 36 6.685 -12.440 12.370 1.00 0.00 H new ATOM 0 HE ARG A 36 7.877 -14.157 14.378 1.00 0.00 H new ATOM 0 HH11 ARG A 36 8.104 -10.993 12.825 1.00 0.00 H new ATOM 0 HH12 ARG A 36 8.900 -10.242 14.212 1.00 0.00 H new ATOM 0 HH21 ARG A 36 8.903 -13.187 16.151 1.00 0.00 H new ATOM 0 HH22 ARG A 36 9.351 -11.479 16.086 1.00 0.00 H new ATOM 646 N ASP A 37 2.537 -15.064 11.874 1.00 0.00 N ATOM 647 CA ASP A 37 1.703 -15.533 10.774 1.00 0.00 C ATOM 648 C ASP A 37 0.897 -14.388 10.168 1.00 0.00 C ATOM 649 O ASP A 37 0.624 -14.377 8.967 1.00 0.00 O ATOM 650 CB ASP A 37 0.761 -16.636 11.257 1.00 0.00 C ATOM 651 CG ASP A 37 1.508 -17.853 11.765 1.00 0.00 C ATOM 652 OD1 ASP A 37 1.813 -18.745 10.947 1.00 0.00 O ATOM 653 OD2 ASP A 37 1.789 -17.913 12.980 1.00 0.00 O ATOM 0 H ASP A 37 2.321 -15.490 12.775 1.00 0.00 H new ATOM 0 HA ASP A 37 2.359 -15.935 10.002 1.00 0.00 H new ATOM 0 HB2 ASP A 37 0.126 -16.245 12.052 1.00 0.00 H new ATOM 0 HB3 ASP A 37 0.103 -16.932 10.440 1.00 0.00 H new ATOM 658 N ARG A 38 0.519 -13.427 11.005 1.00 0.00 N ATOM 659 CA ARG A 38 -0.255 -12.279 10.547 1.00 0.00 C ATOM 660 C ARG A 38 0.652 -11.236 9.905 1.00 0.00 C ATOM 661 O ARG A 38 0.347 -10.710 8.837 1.00 0.00 O ATOM 662 CB ARG A 38 -1.030 -11.655 11.710 1.00 0.00 C ATOM 663 CG ARG A 38 -1.972 -10.537 11.288 1.00 0.00 C ATOM 664 CD ARG A 38 -3.033 -11.029 10.314 1.00 0.00 C ATOM 665 NE ARG A 38 -3.994 -9.982 9.976 1.00 0.00 N ATOM 666 CZ ARG A 38 -5.160 -10.214 9.379 1.00 0.00 C ATOM 667 NH1 ARG A 38 -5.515 -11.452 9.067 1.00 0.00 N ATOM 668 NH2 ARG A 38 -5.973 -9.205 9.095 1.00 0.00 N ATOM 0 H ARG A 38 0.736 -13.420 12.002 1.00 0.00 H new ATOM 0 HA ARG A 38 -0.966 -12.629 9.798 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -1.606 -12.434 12.210 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -0.321 -11.264 12.440 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -2.455 -10.117 12.170 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -1.399 -9.734 10.825 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -2.552 -11.387 9.404 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -3.560 -11.878 10.750 1.00 0.00 H new ATOM 0 HE ARG A 38 -3.758 -9.018 10.211 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -4.893 -12.231 9.285 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -6.410 -11.626 8.609 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -5.704 -8.251 9.334 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -6.867 -9.384 8.637 1.00 0.00 H new ATOM 682 N ARG A 39 1.771 -10.941 10.562 1.00 0.00 N ATOM 683 CA ARG A 39 2.723 -9.964 10.048 1.00 0.00 C ATOM 684 C ARG A 39 3.190 -10.352 8.648 1.00 0.00 C ATOM 685 O ARG A 39 3.517 -9.493 7.831 1.00 0.00 O ATOM 686 CB ARG A 39 3.932 -9.853 10.980 1.00 0.00 C ATOM 687 CG ARG A 39 3.584 -9.381 12.381 1.00 0.00 C ATOM 688 CD ARG A 39 4.815 -9.321 13.271 1.00 0.00 C ATOM 689 NE ARG A 39 4.480 -8.957 14.646 1.00 0.00 N ATOM 690 CZ ARG A 39 5.106 -9.448 15.713 1.00 0.00 C ATOM 691 NH1 ARG A 39 6.089 -10.326 15.563 1.00 0.00 N ATOM 692 NH2 ARG A 39 4.748 -9.061 16.930 1.00 0.00 N ATOM 0 H ARG A 39 2.039 -11.365 11.450 1.00 0.00 H new ATOM 0 HA ARG A 39 2.221 -8.998 9.998 1.00 0.00 H new ATOM 0 HB2 ARG A 39 4.420 -10.826 11.045 1.00 0.00 H new ATOM 0 HB3 ARG A 39 4.654 -9.163 10.543 1.00 0.00 H new ATOM 0 HG2 ARG A 39 3.123 -8.395 12.330 1.00 0.00 H new ATOM 0 HG3 ARG A 39 2.848 -10.055 12.821 1.00 0.00 H new ATOM 0 HD2 ARG A 39 5.315 -10.290 13.264 1.00 0.00 H new ATOM 0 HD3 ARG A 39 5.520 -8.596 12.866 1.00 0.00 H new ATOM 0 HE ARG A 39 3.724 -8.289 14.797 1.00 0.00 H new ATOM 0 HH11 ARG A 39 6.367 -10.626 14.629 1.00 0.00 H new ATOM 0 HH12 ARG A 39 6.567 -10.701 16.382 1.00 0.00 H new ATOM 0 HH21 ARG A 39 3.992 -8.386 17.049 1.00 0.00 H new ATOM 0 HH22 ARG A 39 5.228 -9.438 17.747 1.00 0.00 H new ATOM 706 N TYR A 40 3.207 -11.653 8.381 1.00 0.00 N ATOM 707 CA TYR A 40 3.645 -12.172 7.090 1.00 0.00 C ATOM 708 C TYR A 40 2.615 -11.907 5.995 1.00 0.00 C ATOM 709 O TYR A 40 2.914 -11.251 4.997 1.00 0.00 O ATOM 710 CB TYR A 40 3.914 -13.674 7.199 1.00 0.00 C ATOM 711 CG TYR A 40 4.397 -14.308 5.913 1.00 0.00 C ATOM 712 CD1 TYR A 40 5.644 -13.993 5.388 1.00 0.00 C ATOM 713 CD2 TYR A 40 3.609 -15.225 5.227 1.00 0.00 C ATOM 714 CE1 TYR A 40 6.091 -14.573 4.216 1.00 0.00 C ATOM 715 CE2 TYR A 40 4.050 -15.807 4.054 1.00 0.00 C ATOM 716 CZ TYR A 40 5.291 -15.479 3.554 1.00 0.00 C ATOM 717 OH TYR A 40 5.734 -16.060 2.388 1.00 0.00 O ATOM 0 H TYR A 40 2.921 -12.372 9.046 1.00 0.00 H new ATOM 0 HA TYR A 40 4.563 -11.652 6.816 1.00 0.00 H new ATOM 0 HB2 TYR A 40 4.658 -13.844 7.977 1.00 0.00 H new ATOM 0 HB3 TYR A 40 2.999 -14.174 7.517 1.00 0.00 H new ATOM 0 HD1 TYR A 40 6.274 -13.284 5.904 1.00 0.00 H new ATOM 0 HD2 TYR A 40 2.637 -15.487 5.617 1.00 0.00 H new ATOM 0 HE1 TYR A 40 7.063 -14.317 3.821 1.00 0.00 H new ATOM 0 HE2 TYR A 40 3.425 -16.516 3.532 1.00 0.00 H new ATOM 0 HH TYR A 40 5.051 -16.675 2.049 1.00 0.00 H new ATOM 727 N GLU A 41 1.404 -12.421 6.188 1.00 0.00 N ATOM 728 CA GLU A 41 0.333 -12.252 5.211 1.00 0.00 C ATOM 729 C GLU A 41 0.073 -10.776 4.915 1.00 0.00 C ATOM 730 O GLU A 41 -0.093 -10.389 3.757 1.00 0.00 O ATOM 731 CB GLU A 41 -0.950 -12.925 5.709 1.00 0.00 C ATOM 732 CG GLU A 41 -1.407 -12.441 7.075 1.00 0.00 C ATOM 733 CD GLU A 41 -2.613 -13.201 7.589 1.00 0.00 C ATOM 734 OE1 GLU A 41 -3.751 -12.813 7.248 1.00 0.00 O ATOM 735 OE2 GLU A 41 -2.420 -14.185 8.335 1.00 0.00 O ATOM 0 H GLU A 41 1.139 -12.959 7.013 1.00 0.00 H new ATOM 0 HA GLU A 41 0.650 -12.728 4.283 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.746 -12.748 4.986 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -0.791 -14.003 5.750 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -0.587 -12.544 7.786 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -1.648 -11.380 7.018 1.00 0.00 H new ATOM 742 N VAL A 42 0.042 -9.958 5.960 1.00 0.00 N ATOM 743 CA VAL A 42 -0.201 -8.526 5.803 1.00 0.00 C ATOM 744 C VAL A 42 0.989 -7.833 5.146 1.00 0.00 C ATOM 745 O VAL A 42 0.851 -6.751 4.577 1.00 0.00 O ATOM 746 CB VAL A 42 -0.500 -7.849 7.156 1.00 0.00 C ATOM 747 CG1 VAL A 42 -1.603 -8.592 7.891 1.00 0.00 C ATOM 748 CG2 VAL A 42 0.757 -7.756 8.009 1.00 0.00 C ATOM 0 H VAL A 42 0.182 -10.259 6.924 1.00 0.00 H new ATOM 0 HA VAL A 42 -1.075 -8.425 5.159 1.00 0.00 H new ATOM 0 HB VAL A 42 -0.844 -6.833 6.961 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -1.801 -8.100 8.844 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -2.510 -8.589 7.286 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -1.291 -9.621 8.072 1.00 0.00 H new ATOM 0 HG21 VAL A 42 0.518 -7.275 8.957 1.00 0.00 H new ATOM 0 HG22 VAL A 42 1.144 -8.758 8.198 1.00 0.00 H new ATOM 0 HG23 VAL A 42 1.511 -7.169 7.484 1.00 0.00 H new ATOM 758 N ALA A 43 2.157 -8.463 5.226 1.00 0.00 N ATOM 759 CA ALA A 43 3.369 -7.904 4.637 1.00 0.00 C ATOM 760 C ALA A 43 3.436 -8.211 3.147 1.00 0.00 C ATOM 761 O ALA A 43 4.018 -7.454 2.372 1.00 0.00 O ATOM 762 CB ALA A 43 4.600 -8.451 5.341 1.00 0.00 C ATOM 0 H ALA A 43 2.290 -9.360 5.693 1.00 0.00 H new ATOM 0 HA ALA A 43 3.342 -6.822 4.765 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.496 -8.025 4.890 1.00 0.00 H new ATOM 0 HB2 ALA A 43 4.563 -8.185 6.397 1.00 0.00 H new ATOM 0 HB3 ALA A 43 4.624 -9.536 5.241 1.00 0.00 H new ATOM 768 N ARG A 44 2.835 -9.327 2.760 1.00 0.00 N ATOM 769 CA ARG A 44 2.821 -9.748 1.369 1.00 0.00 C ATOM 770 C ARG A 44 1.854 -8.898 0.552 1.00 0.00 C ATOM 771 O ARG A 44 2.063 -8.675 -0.641 1.00 0.00 O ATOM 772 CB ARG A 44 2.422 -11.221 1.282 1.00 0.00 C ATOM 773 CG ARG A 44 3.474 -12.177 1.826 1.00 0.00 C ATOM 774 CD ARG A 44 4.746 -12.147 0.992 1.00 0.00 C ATOM 775 NE ARG A 44 4.499 -12.526 -0.396 1.00 0.00 N ATOM 776 CZ ARG A 44 5.460 -12.868 -1.250 1.00 0.00 C ATOM 777 NH1 ARG A 44 6.726 -12.894 -0.852 1.00 0.00 N ATOM 778 NH2 ARG A 44 5.155 -13.189 -2.500 1.00 0.00 N ATOM 0 H ARG A 44 2.348 -9.960 3.395 1.00 0.00 H new ATOM 0 HA ARG A 44 3.822 -9.616 0.957 1.00 0.00 H new ATOM 0 HB2 ARG A 44 1.492 -11.369 1.831 1.00 0.00 H new ATOM 0 HB3 ARG A 44 2.221 -11.472 0.241 1.00 0.00 H new ATOM 0 HG2 ARG A 44 3.708 -11.912 2.857 1.00 0.00 H new ATOM 0 HG3 ARG A 44 3.072 -13.190 1.841 1.00 0.00 H new ATOM 0 HD2 ARG A 44 5.177 -11.146 1.023 1.00 0.00 H new ATOM 0 HD3 ARG A 44 5.481 -12.824 1.427 1.00 0.00 H new ATOM 0 HE ARG A 44 3.535 -12.529 -0.730 1.00 0.00 H new ATOM 0 HH11 ARG A 44 6.963 -12.652 0.110 1.00 0.00 H new ATOM 0 HH12 ARG A 44 7.462 -13.156 -1.508 1.00 0.00 H new ATOM 0 HH21 ARG A 44 4.183 -13.174 -2.808 1.00 0.00 H new ATOM 0 HH22 ARG A 44 5.893 -13.451 -3.154 1.00 0.00 H new ATOM 792 N VAL A 45 0.799 -8.426 1.206 1.00 0.00 N ATOM 793 CA VAL A 45 -0.208 -7.606 0.545 1.00 0.00 C ATOM 794 C VAL A 45 0.159 -6.125 0.585 1.00 0.00 C ATOM 795 O VAL A 45 -0.178 -5.367 -0.323 1.00 0.00 O ATOM 796 CB VAL A 45 -1.594 -7.806 1.189 1.00 0.00 C ATOM 797 CG1 VAL A 45 -1.941 -9.283 1.237 1.00 0.00 C ATOM 798 CG2 VAL A 45 -1.640 -7.200 2.583 1.00 0.00 C ATOM 0 H VAL A 45 0.619 -8.598 2.195 1.00 0.00 H new ATOM 0 HA VAL A 45 -0.245 -7.928 -0.496 1.00 0.00 H new ATOM 0 HB VAL A 45 -2.334 -7.292 0.576 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -2.922 -9.412 1.694 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -1.957 -9.686 0.224 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -1.194 -9.813 1.827 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -2.629 -7.355 3.015 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -0.890 -7.679 3.213 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -1.434 -6.131 2.522 1.00 0.00 H new ATOM 808 N LEU A 46 0.852 -5.722 1.644 1.00 0.00 N ATOM 809 CA LEU A 46 1.257 -4.331 1.806 1.00 0.00 C ATOM 810 C LEU A 46 2.626 -4.078 1.185 1.00 0.00 C ATOM 811 O LEU A 46 3.138 -2.959 1.226 1.00 0.00 O ATOM 812 CB LEU A 46 1.279 -3.959 3.292 1.00 0.00 C ATOM 813 CG LEU A 46 -0.087 -3.912 3.971 1.00 0.00 C ATOM 814 CD1 LEU A 46 0.075 -3.589 5.449 1.00 0.00 C ATOM 815 CD2 LEU A 46 -0.980 -2.888 3.288 1.00 0.00 C ATOM 0 H LEU A 46 1.145 -6.338 2.402 1.00 0.00 H new ATOM 0 HA LEU A 46 0.529 -3.706 1.288 1.00 0.00 H new ATOM 0 HB2 LEU A 46 1.905 -4.678 3.821 1.00 0.00 H new ATOM 0 HB3 LEU A 46 1.754 -2.984 3.399 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.561 -4.890 3.883 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -0.905 -3.558 5.924 1.00 0.00 H new ATOM 0 HD12 LEU A 46 0.685 -4.357 5.925 1.00 0.00 H new ATOM 0 HD13 LEU A 46 0.562 -2.620 5.558 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -1.951 -2.865 3.782 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -0.518 -1.903 3.350 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -1.112 -3.161 2.241 1.00 0.00 H new ATOM 827 N ASN A 47 3.212 -5.124 0.607 1.00 0.00 N ATOM 828 CA ASN A 47 4.525 -5.020 -0.024 1.00 0.00 C ATOM 829 C ASN A 47 5.574 -4.579 0.988 1.00 0.00 C ATOM 830 O ASN A 47 6.560 -3.929 0.639 1.00 0.00 O ATOM 831 CB ASN A 47 4.478 -4.039 -1.198 1.00 0.00 C ATOM 832 CG ASN A 47 3.481 -4.456 -2.261 1.00 0.00 C ATOM 833 OD1 ASN A 47 3.219 -5.644 -2.450 1.00 0.00 O ATOM 834 ND2 ASN A 47 2.920 -3.478 -2.962 1.00 0.00 N ATOM 0 H ASN A 47 2.797 -6.055 0.563 1.00 0.00 H new ATOM 0 HA ASN A 47 4.801 -6.005 -0.402 1.00 0.00 H new ATOM 0 HB2 ASN A 47 4.217 -3.047 -0.829 1.00 0.00 H new ATOM 0 HB3 ASN A 47 5.470 -3.963 -1.644 1.00 0.00 H new ATOM 0 HD21 ASN A 47 2.242 -3.698 -3.691 1.00 0.00 H new ATOM 0 HD22 ASN A 47 3.167 -2.507 -2.771 1.00 0.00 H new ATOM 841 N LEU A 48 5.354 -4.950 2.242 1.00 0.00 N ATOM 842 CA LEU A 48 6.268 -4.600 3.323 1.00 0.00 C ATOM 843 C LEU A 48 6.920 -5.849 3.903 1.00 0.00 C ATOM 844 O LEU A 48 6.653 -6.964 3.454 1.00 0.00 O ATOM 845 CB LEU A 48 5.521 -3.846 4.426 1.00 0.00 C ATOM 846 CG LEU A 48 4.588 -2.734 3.940 1.00 0.00 C ATOM 847 CD1 LEU A 48 3.930 -2.040 5.120 1.00 0.00 C ATOM 848 CD2 LEU A 48 5.345 -1.731 3.082 1.00 0.00 C ATOM 0 H LEU A 48 4.545 -5.497 2.538 1.00 0.00 H new ATOM 0 HA LEU A 48 7.047 -3.957 2.915 1.00 0.00 H new ATOM 0 HB2 LEU A 48 4.936 -4.563 5.002 1.00 0.00 H new ATOM 0 HB3 LEU A 48 6.253 -3.412 5.107 1.00 0.00 H new ATOM 0 HG LEU A 48 3.808 -3.185 3.326 1.00 0.00 H new ATOM 0 HD11 LEU A 48 3.270 -1.252 4.757 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.350 -2.765 5.691 1.00 0.00 H new ATOM 0 HD13 LEU A 48 4.697 -1.604 5.760 1.00 0.00 H new ATOM 0 HD21 LEU A 48 4.662 -0.950 2.748 1.00 0.00 H new ATOM 0 HD22 LEU A 48 6.149 -1.284 3.668 1.00 0.00 H new ATOM 0 HD23 LEU A 48 5.767 -2.239 2.215 1.00 0.00 H new ATOM 860 N THR A 49 7.784 -5.655 4.893 1.00 0.00 N ATOM 861 CA THR A 49 8.469 -6.767 5.542 1.00 0.00 C ATOM 862 C THR A 49 7.857 -7.050 6.910 1.00 0.00 C ATOM 863 O THR A 49 7.369 -6.138 7.578 1.00 0.00 O ATOM 864 CB THR A 49 9.974 -6.481 5.708 1.00 0.00 C ATOM 865 OG1 THR A 49 10.542 -6.095 4.451 1.00 0.00 O ATOM 866 CG2 THR A 49 10.704 -7.705 6.241 1.00 0.00 C ATOM 0 H THR A 49 8.027 -4.737 5.264 1.00 0.00 H new ATOM 0 HA THR A 49 8.348 -7.640 4.901 1.00 0.00 H new ATOM 0 HB THR A 49 10.087 -5.668 6.425 1.00 0.00 H new ATOM 0 HG1 THR A 49 11.498 -5.913 4.566 1.00 0.00 H new ATOM 0 HG21 THR A 49 11.764 -7.478 6.349 1.00 0.00 H new ATOM 0 HG22 THR A 49 10.291 -7.981 7.211 1.00 0.00 H new ATOM 0 HG23 THR A 49 10.580 -8.534 5.545 1.00 0.00 H new ATOM 874 N GLU A 50 7.884 -8.317 7.320 1.00 0.00 N ATOM 875 CA GLU A 50 7.328 -8.722 8.609 1.00 0.00 C ATOM 876 C GLU A 50 7.819 -7.809 9.729 1.00 0.00 C ATOM 877 O GLU A 50 7.079 -7.509 10.667 1.00 0.00 O ATOM 878 CB GLU A 50 7.707 -10.170 8.919 1.00 0.00 C ATOM 879 CG GLU A 50 7.239 -11.161 7.866 1.00 0.00 C ATOM 880 CD GLU A 50 7.641 -12.586 8.191 1.00 0.00 C ATOM 881 OE1 GLU A 50 8.766 -12.984 7.825 1.00 0.00 O ATOM 882 OE2 GLU A 50 6.829 -13.306 8.811 1.00 0.00 O ATOM 0 H GLU A 50 8.286 -9.081 6.777 1.00 0.00 H new ATOM 0 HA GLU A 50 6.243 -8.640 8.547 1.00 0.00 H new ATOM 0 HB2 GLU A 50 8.790 -10.240 9.016 1.00 0.00 H new ATOM 0 HB3 GLU A 50 7.282 -10.449 9.883 1.00 0.00 H new ATOM 0 HG2 GLU A 50 6.154 -11.105 7.775 1.00 0.00 H new ATOM 0 HG3 GLU A 50 7.655 -10.881 6.898 1.00 0.00 H new ATOM 889 N ARG A 51 9.069 -7.370 9.622 1.00 0.00 N ATOM 890 CA ARG A 51 9.661 -6.490 10.623 1.00 0.00 C ATOM 891 C ARG A 51 9.165 -5.060 10.452 1.00 0.00 C ATOM 892 O ARG A 51 8.699 -4.435 11.403 1.00 0.00 O ATOM 893 CB ARG A 51 11.187 -6.512 10.514 1.00 0.00 C ATOM 894 CG ARG A 51 11.800 -7.885 10.741 1.00 0.00 C ATOM 895 CD ARG A 51 11.558 -8.378 12.159 1.00 0.00 C ATOM 896 NE ARG A 51 12.174 -7.504 13.154 1.00 0.00 N ATOM 897 CZ ARG A 51 12.296 -7.818 14.440 1.00 0.00 C ATOM 898 NH1 ARG A 51 11.846 -8.982 14.890 1.00 0.00 N ATOM 899 NH2 ARG A 51 12.869 -6.967 15.279 1.00 0.00 N ATOM 0 H ARG A 51 9.692 -7.610 8.851 1.00 0.00 H new ATOM 0 HA ARG A 51 9.361 -6.853 11.606 1.00 0.00 H new ATOM 0 HB2 ARG A 51 11.476 -6.154 9.526 1.00 0.00 H new ATOM 0 HB3 ARG A 51 11.604 -5.814 11.240 1.00 0.00 H new ATOM 0 HG2 ARG A 51 11.376 -8.595 10.031 1.00 0.00 H new ATOM 0 HG3 ARG A 51 12.872 -7.842 10.548 1.00 0.00 H new ATOM 0 HD2 ARG A 51 10.485 -8.439 12.344 1.00 0.00 H new ATOM 0 HD3 ARG A 51 11.957 -9.387 12.265 1.00 0.00 H new ATOM 0 HE ARG A 51 12.531 -6.600 12.844 1.00 0.00 H new ATOM 0 HH11 ARG A 51 11.404 -9.640 14.248 1.00 0.00 H new ATOM 0 HH12 ARG A 51 11.942 -9.219 15.878 1.00 0.00 H new ATOM 0 HH21 ARG A 51 13.217 -6.071 14.938 1.00 0.00 H new ATOM 0 HH22 ARG A 51 12.962 -7.208 16.266 1.00 0.00 H new ATOM 913 N GLN A 52 9.269 -4.553 9.230 1.00 0.00 N ATOM 914 CA GLN A 52 8.849 -3.193 8.916 1.00 0.00 C ATOM 915 C GLN A 52 7.436 -2.906 9.424 1.00 0.00 C ATOM 916 O GLN A 52 7.107 -1.764 9.748 1.00 0.00 O ATOM 917 CB GLN A 52 8.918 -2.960 7.408 1.00 0.00 C ATOM 918 CG GLN A 52 8.823 -1.496 7.012 1.00 0.00 C ATOM 919 CD GLN A 52 10.093 -0.722 7.316 1.00 0.00 C ATOM 920 OE1 GLN A 52 10.823 -1.040 8.253 1.00 0.00 O ATOM 921 NE2 GLN A 52 10.361 0.305 6.518 1.00 0.00 N ATOM 0 H GLN A 52 9.644 -5.068 8.434 1.00 0.00 H new ATOM 0 HA GLN A 52 9.530 -2.510 9.423 1.00 0.00 H new ATOM 0 HB2 GLN A 52 9.854 -3.370 7.028 1.00 0.00 H new ATOM 0 HB3 GLN A 52 8.110 -3.511 6.927 1.00 0.00 H new ATOM 0 HG2 GLN A 52 8.606 -1.426 5.946 1.00 0.00 H new ATOM 0 HG3 GLN A 52 7.987 -1.035 7.538 1.00 0.00 H new ATOM 0 HE21 GLN A 52 9.728 0.534 5.752 1.00 0.00 H new ATOM 0 HE22 GLN A 52 11.200 0.865 6.671 1.00 0.00 H new ATOM 930 N VAL A 53 6.606 -3.942 9.494 1.00 0.00 N ATOM 931 CA VAL A 53 5.232 -3.788 9.963 1.00 0.00 C ATOM 932 C VAL A 53 5.183 -3.521 11.467 1.00 0.00 C ATOM 933 O VAL A 53 4.706 -2.472 11.903 1.00 0.00 O ATOM 934 CB VAL A 53 4.383 -5.033 9.638 1.00 0.00 C ATOM 935 CG1 VAL A 53 2.966 -4.872 10.168 1.00 0.00 C ATOM 936 CG2 VAL A 53 4.367 -5.290 8.139 1.00 0.00 C ATOM 0 H VAL A 53 6.859 -4.895 9.233 1.00 0.00 H new ATOM 0 HA VAL A 53 4.815 -2.929 9.437 1.00 0.00 H new ATOM 0 HB VAL A 53 4.835 -5.894 10.131 1.00 0.00 H new ATOM 0 HG11 VAL A 53 2.384 -5.762 9.928 1.00 0.00 H new ATOM 0 HG12 VAL A 53 2.995 -4.739 11.249 1.00 0.00 H new ATOM 0 HG13 VAL A 53 2.502 -4.000 9.707 1.00 0.00 H new ATOM 0 HG21 VAL A 53 3.763 -6.172 7.928 1.00 0.00 H new ATOM 0 HG22 VAL A 53 3.941 -4.427 7.626 1.00 0.00 H new ATOM 0 HG23 VAL A 53 5.385 -5.454 7.787 1.00 0.00 H new ATOM 946 N LYS A 54 5.676 -4.474 12.254 1.00 0.00 N ATOM 947 CA LYS A 54 5.682 -4.341 13.710 1.00 0.00 C ATOM 948 C LYS A 54 6.471 -3.113 14.150 1.00 0.00 C ATOM 949 O LYS A 54 5.981 -2.303 14.938 1.00 0.00 O ATOM 950 CB LYS A 54 6.264 -5.601 14.357 1.00 0.00 C ATOM 951 CG LYS A 54 7.597 -6.032 13.765 1.00 0.00 C ATOM 952 CD LYS A 54 8.084 -7.343 14.365 1.00 0.00 C ATOM 953 CE LYS A 54 8.747 -7.135 15.721 1.00 0.00 C ATOM 954 NZ LYS A 54 7.775 -6.700 16.762 1.00 0.00 N ATOM 0 H LYS A 54 6.076 -5.346 11.909 1.00 0.00 H new ATOM 0 HA LYS A 54 4.650 -4.216 14.039 1.00 0.00 H new ATOM 0 HB2 LYS A 54 6.391 -5.425 15.425 1.00 0.00 H new ATOM 0 HB3 LYS A 54 5.549 -6.417 14.251 1.00 0.00 H new ATOM 0 HG2 LYS A 54 7.497 -6.141 12.685 1.00 0.00 H new ATOM 0 HG3 LYS A 54 8.341 -5.254 13.939 1.00 0.00 H new ATOM 0 HD2 LYS A 54 7.243 -8.027 14.473 1.00 0.00 H new ATOM 0 HD3 LYS A 54 8.792 -7.814 13.683 1.00 0.00 H new ATOM 0 HE2 LYS A 54 9.224 -8.063 16.037 1.00 0.00 H new ATOM 0 HE3 LYS A 54 9.535 -6.388 15.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 7.979 -7.193 17.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 7.857 -5.673 16.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 6.809 -6.930 16.453 1.00 0.00 H new ATOM 968 N ILE A 55 7.692 -2.982 13.642 1.00 0.00 N ATOM 969 CA ILE A 55 8.547 -1.851 13.981 1.00 0.00 C ATOM 970 C ILE A 55 7.815 -0.529 13.774 1.00 0.00 C ATOM 971 O ILE A 55 7.960 0.403 14.564 1.00 0.00 O ATOM 972 CB ILE A 55 9.838 -1.850 13.138 1.00 0.00 C ATOM 973 CG1 ILE A 55 10.624 -3.143 13.367 1.00 0.00 C ATOM 974 CG2 ILE A 55 10.692 -0.635 13.479 1.00 0.00 C ATOM 975 CD1 ILE A 55 11.821 -3.298 12.453 1.00 0.00 C ATOM 0 H ILE A 55 8.112 -3.647 12.993 1.00 0.00 H new ATOM 0 HA ILE A 55 8.811 -1.956 15.033 1.00 0.00 H new ATOM 0 HB ILE A 55 9.567 -1.795 12.084 1.00 0.00 H new ATOM 0 HG12 ILE A 55 10.963 -3.173 14.403 1.00 0.00 H new ATOM 0 HG13 ILE A 55 9.957 -3.993 13.225 1.00 0.00 H new ATOM 0 HG21 ILE A 55 11.600 -0.648 12.876 1.00 0.00 H new ATOM 0 HG22 ILE A 55 10.130 0.275 13.269 1.00 0.00 H new ATOM 0 HG23 ILE A 55 10.958 -0.662 14.536 1.00 0.00 H new ATOM 0 HD11 ILE A 55 12.328 -4.237 12.674 1.00 0.00 H new ATOM 0 HD12 ILE A 55 11.488 -3.301 11.415 1.00 0.00 H new ATOM 0 HD13 ILE A 55 12.510 -2.468 12.611 1.00 0.00 H new ATOM 987 N TRP A 56 7.025 -0.458 12.707 1.00 0.00 N ATOM 988 CA TRP A 56 6.269 0.750 12.396 1.00 0.00 C ATOM 989 C TRP A 56 5.323 1.108 13.537 1.00 0.00 C ATOM 990 O TRP A 56 5.272 2.257 13.973 1.00 0.00 O ATOM 991 CB TRP A 56 5.478 0.570 11.099 1.00 0.00 C ATOM 992 CG TRP A 56 4.798 1.824 10.640 1.00 0.00 C ATOM 993 CD1 TRP A 56 5.344 2.818 9.880 1.00 0.00 C ATOM 994 CD2 TRP A 56 3.449 2.220 10.915 1.00 0.00 C ATOM 995 NE1 TRP A 56 4.417 3.808 9.665 1.00 0.00 N ATOM 996 CE2 TRP A 56 3.246 3.464 10.289 1.00 0.00 C ATOM 997 CE3 TRP A 56 2.393 1.643 11.627 1.00 0.00 C ATOM 998 CZ2 TRP A 56 2.032 4.142 10.356 1.00 0.00 C ATOM 999 CZ3 TRP A 56 1.188 2.316 11.692 1.00 0.00 C ATOM 1000 CH2 TRP A 56 1.016 3.554 11.059 1.00 0.00 C ATOM 0 H TRP A 56 6.892 -1.222 12.044 1.00 0.00 H new ATOM 0 HA TRP A 56 6.980 1.566 12.266 1.00 0.00 H new ATOM 0 HB2 TRP A 56 6.152 0.223 10.316 1.00 0.00 H new ATOM 0 HB3 TRP A 56 4.729 -0.209 11.243 1.00 0.00 H new ATOM 0 HD1 TRP A 56 6.356 2.825 9.503 1.00 0.00 H new ATOM 0 HE1 TRP A 56 4.574 4.661 9.128 1.00 0.00 H new ATOM 0 HE3 TRP A 56 2.517 0.689 12.117 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 1.897 5.097 9.871 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 0.365 1.881 12.240 1.00 0.00 H new ATOM 0 HH2 TRP A 56 0.062 4.055 11.127 1.00 0.00 H new ATOM 1011 N PHE A 57 4.579 0.115 14.016 1.00 0.00 N ATOM 1012 CA PHE A 57 3.634 0.326 15.107 1.00 0.00 C ATOM 1013 C PHE A 57 4.359 0.661 16.408 1.00 0.00 C ATOM 1014 O PHE A 57 3.836 1.390 17.251 1.00 0.00 O ATOM 1015 CB PHE A 57 2.757 -0.913 15.301 1.00 0.00 C ATOM 1016 CG PHE A 57 1.710 -1.088 14.236 1.00 0.00 C ATOM 1017 CD1 PHE A 57 0.538 -0.351 14.274 1.00 0.00 C ATOM 1018 CD2 PHE A 57 1.896 -1.992 13.203 1.00 0.00 C ATOM 1019 CE1 PHE A 57 -0.431 -0.512 13.300 1.00 0.00 C ATOM 1020 CE2 PHE A 57 0.931 -2.157 12.226 1.00 0.00 C ATOM 1021 CZ PHE A 57 -0.234 -1.416 12.275 1.00 0.00 C ATOM 0 H PHE A 57 4.612 -0.842 13.666 1.00 0.00 H new ATOM 0 HA PHE A 57 3.001 1.172 14.841 1.00 0.00 H new ATOM 0 HB2 PHE A 57 3.393 -1.798 15.321 1.00 0.00 H new ATOM 0 HB3 PHE A 57 2.267 -0.851 16.273 1.00 0.00 H new ATOM 0 HD1 PHE A 57 0.379 0.358 15.073 1.00 0.00 H new ATOM 0 HD2 PHE A 57 2.805 -2.574 13.160 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -1.341 0.069 13.341 1.00 0.00 H new ATOM 0 HE2 PHE A 57 1.088 -2.865 11.425 1.00 0.00 H new ATOM 0 HZ PHE A 57 -0.989 -1.544 11.513 1.00 0.00 H new ATOM 1031 N GLN A 58 5.564 0.122 16.568 1.00 0.00 N ATOM 1032 CA GLN A 58 6.353 0.367 17.773 1.00 0.00 C ATOM 1033 C GLN A 58 6.758 1.837 17.893 1.00 0.00 C ATOM 1034 O GLN A 58 6.360 2.520 18.835 1.00 0.00 O ATOM 1035 CB GLN A 58 7.605 -0.512 17.778 1.00 0.00 C ATOM 1036 CG GLN A 58 7.308 -1.999 17.887 1.00 0.00 C ATOM 1037 CD GLN A 58 8.569 -2.840 17.956 1.00 0.00 C ATOM 1038 OE1 GLN A 58 8.593 -3.980 17.492 1.00 0.00 O ATOM 1039 NE2 GLN A 58 9.623 -2.284 18.541 1.00 0.00 N ATOM 0 H GLN A 58 6.015 -0.484 15.883 1.00 0.00 H new ATOM 0 HA GLN A 58 5.727 0.115 18.629 1.00 0.00 H new ATOM 0 HB2 GLN A 58 8.170 -0.330 16.864 1.00 0.00 H new ATOM 0 HB3 GLN A 58 8.243 -0.216 18.611 1.00 0.00 H new ATOM 0 HG2 GLN A 58 6.704 -2.181 18.776 1.00 0.00 H new ATOM 0 HG3 GLN A 58 6.713 -2.311 17.029 1.00 0.00 H new ATOM 0 HE21 GLN A 58 9.559 -1.336 18.912 1.00 0.00 H new ATOM 0 HE22 GLN A 58 10.497 -2.805 18.619 1.00 0.00 H new ATOM 1048 N ASN A 59 7.541 2.316 16.928 1.00 0.00 N ATOM 1049 CA ASN A 59 8.017 3.700 16.934 1.00 0.00 C ATOM 1050 C ASN A 59 6.868 4.699 17.020 1.00 0.00 C ATOM 1051 O ASN A 59 6.868 5.581 17.881 1.00 0.00 O ATOM 1052 CB ASN A 59 8.856 3.981 15.685 1.00 0.00 C ATOM 1053 CG ASN A 59 10.197 3.275 15.715 1.00 0.00 C ATOM 1054 OD1 ASN A 59 11.175 3.799 16.249 1.00 0.00 O ATOM 1055 ND2 ASN A 59 10.251 2.082 15.138 1.00 0.00 N ATOM 0 H ASN A 59 7.860 1.766 16.130 1.00 0.00 H new ATOM 0 HA ASN A 59 8.635 3.825 17.823 1.00 0.00 H new ATOM 0 HB2 ASN A 59 8.302 3.665 14.801 1.00 0.00 H new ATOM 0 HB3 ASN A 59 9.017 5.055 15.593 1.00 0.00 H new ATOM 0 HD21 ASN A 59 11.128 1.561 15.125 1.00 0.00 H new ATOM 0 HD22 ASN A 59 9.416 1.686 14.707 1.00 0.00 H new ATOM 1062 N ARG A 60 5.895 4.566 16.123 1.00 0.00 N ATOM 1063 CA ARG A 60 4.748 5.471 16.099 1.00 0.00 C ATOM 1064 C ARG A 60 4.049 5.512 17.453 1.00 0.00 C ATOM 1065 O ARG A 60 3.397 6.496 17.798 1.00 0.00 O ATOM 1066 CB ARG A 60 3.760 5.044 15.011 1.00 0.00 C ATOM 1067 CG ARG A 60 3.035 3.743 15.313 1.00 0.00 C ATOM 1068 CD ARG A 60 1.656 3.992 15.906 1.00 0.00 C ATOM 1069 NE ARG A 60 0.804 4.762 15.004 1.00 0.00 N ATOM 1070 CZ ARG A 60 -0.526 4.747 15.054 1.00 0.00 C ATOM 1071 NH1 ARG A 60 -1.149 4.006 15.961 1.00 0.00 N ATOM 1072 NH2 ARG A 60 -1.233 5.473 14.200 1.00 0.00 N ATOM 0 H ARG A 60 5.877 3.842 15.404 1.00 0.00 H new ATOM 0 HA ARG A 60 5.115 6.473 15.876 1.00 0.00 H new ATOM 0 HB2 ARG A 60 3.023 5.835 14.872 1.00 0.00 H new ATOM 0 HB3 ARG A 60 4.296 4.939 14.068 1.00 0.00 H new ATOM 0 HG2 ARG A 60 2.938 3.160 14.397 1.00 0.00 H new ATOM 0 HG3 ARG A 60 3.628 3.149 16.008 1.00 0.00 H new ATOM 0 HD2 ARG A 60 1.179 3.037 16.128 1.00 0.00 H new ATOM 0 HD3 ARG A 60 1.759 4.525 16.851 1.00 0.00 H new ATOM 0 HE ARG A 60 1.253 5.344 14.296 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -0.609 3.447 16.621 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -2.168 3.995 15.998 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -0.758 6.045 13.502 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -2.252 5.459 14.241 1.00 0.00 H new ATOM 1086 N ARG A 61 4.185 4.434 18.215 1.00 0.00 N ATOM 1087 CA ARG A 61 3.569 4.349 19.533 1.00 0.00 C ATOM 1088 C ARG A 61 4.413 5.064 20.589 1.00 0.00 C ATOM 1089 O ARG A 61 3.876 5.701 21.495 1.00 0.00 O ATOM 1090 CB ARG A 61 3.368 2.888 19.927 1.00 0.00 C ATOM 1091 CG ARG A 61 2.698 2.712 21.278 1.00 0.00 C ATOM 1092 CD ARG A 61 2.130 1.313 21.434 1.00 0.00 C ATOM 1093 NE ARG A 61 1.503 1.121 22.740 1.00 0.00 N ATOM 1094 CZ ARG A 61 0.521 0.254 22.968 1.00 0.00 C ATOM 1095 NH1 ARG A 61 0.063 -0.510 21.984 1.00 0.00 N ATOM 1096 NH2 ARG A 61 -0.001 0.147 24.182 1.00 0.00 N ATOM 0 H ARG A 61 4.716 3.607 17.943 1.00 0.00 H new ATOM 0 HA ARG A 61 2.600 4.845 19.482 1.00 0.00 H new ATOM 0 HB2 ARG A 61 2.766 2.394 19.165 1.00 0.00 H new ATOM 0 HB3 ARG A 61 4.336 2.388 19.942 1.00 0.00 H new ATOM 0 HG2 ARG A 61 3.420 2.904 22.072 1.00 0.00 H new ATOM 0 HG3 ARG A 61 1.899 3.445 21.389 1.00 0.00 H new ATOM 0 HD2 ARG A 61 1.397 1.130 20.649 1.00 0.00 H new ATOM 0 HD3 ARG A 61 2.927 0.581 21.303 1.00 0.00 H new ATOM 0 HE ARG A 61 1.838 1.684 23.522 1.00 0.00 H new ATOM 0 HH11 ARG A 61 0.464 -0.433 21.049 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -0.690 -1.174 22.162 1.00 0.00 H new ATOM 0 HH21 ARG A 61 0.351 0.730 24.942 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -0.754 -0.518 24.356 1.00 0.00 H new ATOM 1110 N MET A 62 5.735 4.959 20.462 1.00 0.00 N ATOM 1111 CA MET A 62 6.652 5.582 21.414 1.00 0.00 C ATOM 1112 C MET A 62 6.415 7.086 21.542 1.00 0.00 C ATOM 1113 O MET A 62 6.429 7.626 22.648 1.00 0.00 O ATOM 1114 CB MET A 62 8.104 5.329 21.005 1.00 0.00 C ATOM 1115 CG MET A 62 8.397 3.879 20.660 1.00 0.00 C ATOM 1116 SD MET A 62 10.163 3.528 20.584 1.00 0.00 S ATOM 1117 CE MET A 62 10.143 1.794 20.140 1.00 0.00 C ATOM 0 H MET A 62 6.195 4.448 19.708 1.00 0.00 H new ATOM 0 HA MET A 62 6.458 5.126 22.385 1.00 0.00 H new ATOM 0 HB2 MET A 62 8.344 5.954 20.145 1.00 0.00 H new ATOM 0 HB3 MET A 62 8.761 5.640 21.818 1.00 0.00 H new ATOM 0 HG2 MET A 62 7.933 3.231 21.404 1.00 0.00 H new ATOM 0 HG3 MET A 62 7.941 3.639 19.700 1.00 0.00 H new ATOM 0 HE1 MET A 62 11.166 1.428 20.054 1.00 0.00 H new ATOM 0 HE2 MET A 62 9.618 1.227 20.909 1.00 0.00 H new ATOM 0 HE3 MET A 62 9.632 1.669 19.185 1.00 0.00 H new ATOM 1127 N LYS A 63 6.211 7.761 20.413 1.00 0.00 N ATOM 1128 CA LYS A 63 5.987 9.205 20.425 1.00 0.00 C ATOM 1129 C LYS A 63 4.780 9.563 21.288 1.00 0.00 C ATOM 1130 O LYS A 63 4.752 10.617 21.924 1.00 0.00 O ATOM 1131 CB LYS A 63 5.796 9.740 19.003 1.00 0.00 C ATOM 1132 CG LYS A 63 4.437 9.425 18.400 1.00 0.00 C ATOM 1133 CD LYS A 63 4.232 10.153 17.082 1.00 0.00 C ATOM 1134 CE LYS A 63 2.785 10.083 16.624 1.00 0.00 C ATOM 1135 NZ LYS A 63 2.336 8.679 16.413 1.00 0.00 N ATOM 0 H LYS A 63 6.196 7.336 19.486 1.00 0.00 H new ATOM 0 HA LYS A 63 6.871 9.674 20.856 1.00 0.00 H new ATOM 0 HB2 LYS A 63 5.937 10.821 19.011 1.00 0.00 H new ATOM 0 HB3 LYS A 63 6.572 9.322 18.362 1.00 0.00 H new ATOM 0 HG2 LYS A 63 4.348 8.350 18.241 1.00 0.00 H new ATOM 0 HG3 LYS A 63 3.652 9.710 19.100 1.00 0.00 H new ATOM 0 HD2 LYS A 63 4.530 11.196 17.192 1.00 0.00 H new ATOM 0 HD3 LYS A 63 4.877 9.716 16.320 1.00 0.00 H new ATOM 0 HE2 LYS A 63 2.146 10.561 17.367 1.00 0.00 H new ATOM 0 HE3 LYS A 63 2.670 10.644 15.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 1.309 8.664 16.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 2.823 8.279 15.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 2.562 8.112 17.255 1.00 0.00 H new ATOM 1149 N MET A 64 3.785 8.681 21.304 1.00 0.00 N ATOM 1150 CA MET A 64 2.578 8.905 22.093 1.00 0.00 C ATOM 1151 C MET A 64 2.787 8.463 23.536 1.00 0.00 C ATOM 1152 O MET A 64 2.029 8.840 24.430 1.00 0.00 O ATOM 1153 CB MET A 64 1.393 8.154 21.481 1.00 0.00 C ATOM 1154 CG MET A 64 1.020 8.640 20.090 1.00 0.00 C ATOM 1155 SD MET A 64 -0.454 7.827 19.442 1.00 0.00 S ATOM 1156 CE MET A 64 0.087 6.120 19.400 1.00 0.00 C ATOM 0 H MET A 64 3.791 7.806 20.780 1.00 0.00 H new ATOM 0 HA MET A 64 2.361 9.973 22.085 1.00 0.00 H new ATOM 0 HB2 MET A 64 1.632 7.091 21.434 1.00 0.00 H new ATOM 0 HB3 MET A 64 0.529 8.258 22.137 1.00 0.00 H new ATOM 0 HG2 MET A 64 0.854 9.717 20.118 1.00 0.00 H new ATOM 0 HG3 MET A 64 1.855 8.464 19.412 1.00 0.00 H new ATOM 0 HE1 MET A 64 -0.699 5.500 18.970 1.00 0.00 H new ATOM 0 HE2 MET A 64 0.987 6.038 18.791 1.00 0.00 H new ATOM 0 HE3 MET A 64 0.303 5.782 20.413 1.00 0.00 H new ATOM 1166 N LYS A 65 3.823 7.658 23.755 1.00 0.00 N ATOM 1167 CA LYS A 65 4.140 7.160 25.089 1.00 0.00 C ATOM 1168 C LYS A 65 5.261 7.974 25.727 1.00 0.00 C ATOM 1169 O LYS A 65 5.728 7.653 26.821 1.00 0.00 O ATOM 1170 CB LYS A 65 4.541 5.685 25.019 1.00 0.00 C ATOM 1171 CG LYS A 65 3.432 4.774 24.516 1.00 0.00 C ATOM 1172 CD LYS A 65 2.222 4.800 25.437 1.00 0.00 C ATOM 1173 CE LYS A 65 1.126 3.872 24.941 1.00 0.00 C ATOM 1174 NZ LYS A 65 -0.094 3.948 25.792 1.00 0.00 N ATOM 0 H LYS A 65 4.458 7.337 23.024 1.00 0.00 H new ATOM 0 HA LYS A 65 3.249 7.262 25.708 1.00 0.00 H new ATOM 0 HB2 LYS A 65 5.407 5.584 24.365 1.00 0.00 H new ATOM 0 HB3 LYS A 65 4.850 5.354 26.011 1.00 0.00 H new ATOM 0 HG2 LYS A 65 3.134 5.083 23.514 1.00 0.00 H new ATOM 0 HG3 LYS A 65 3.807 3.754 24.437 1.00 0.00 H new ATOM 0 HD2 LYS A 65 2.522 4.506 26.443 1.00 0.00 H new ATOM 0 HD3 LYS A 65 1.836 5.817 25.504 1.00 0.00 H new ATOM 0 HE2 LYS A 65 0.869 4.131 23.914 1.00 0.00 H new ATOM 0 HE3 LYS A 65 1.496 2.847 24.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -0.818 3.300 25.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 0.145 3.677 26.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -0.463 4.920 25.784 1.00 0.00 H new ATOM 1188 N LYS A 66 5.689 9.027 25.038 1.00 0.00 N ATOM 1189 CA LYS A 66 6.756 9.888 25.540 1.00 0.00 C ATOM 1190 C LYS A 66 6.267 10.720 26.720 1.00 0.00 C ATOM 1191 O LYS A 66 7.029 11.015 27.643 1.00 0.00 O ATOM 1192 CB LYS A 66 7.265 10.808 24.428 1.00 0.00 C ATOM 1193 CG LYS A 66 8.383 11.746 24.867 1.00 0.00 C ATOM 1194 CD LYS A 66 9.640 10.989 25.272 1.00 0.00 C ATOM 1195 CE LYS A 66 10.469 10.576 24.063 1.00 0.00 C ATOM 1196 NZ LYS A 66 9.751 9.607 23.191 1.00 0.00 N ATOM 0 H LYS A 66 5.314 9.305 24.131 1.00 0.00 H new ATOM 0 HA LYS A 66 7.575 9.253 25.878 1.00 0.00 H new ATOM 0 HB2 LYS A 66 7.621 10.197 23.599 1.00 0.00 H new ATOM 0 HB3 LYS A 66 6.432 11.402 24.052 1.00 0.00 H new ATOM 0 HG2 LYS A 66 8.620 12.432 24.054 1.00 0.00 H new ATOM 0 HG3 LYS A 66 8.039 12.352 25.705 1.00 0.00 H new ATOM 0 HD2 LYS A 66 10.244 11.614 25.930 1.00 0.00 H new ATOM 0 HD3 LYS A 66 9.362 10.102 25.842 1.00 0.00 H new ATOM 0 HE2 LYS A 66 10.727 11.462 23.483 1.00 0.00 H new ATOM 0 HE3 LYS A 66 11.405 10.132 24.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 10.442 9.043 22.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 9.170 8.976 23.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 9.139 10.124 22.528 1.00 0.00 H new ATOM 1210 N MET A 67 4.993 11.098 26.682 1.00 0.00 N ATOM 1211 CA MET A 67 4.399 11.898 27.746 1.00 0.00 C ATOM 1212 C MET A 67 3.593 11.024 28.701 1.00 0.00 C ATOM 1213 O MET A 67 3.311 9.862 28.407 1.00 0.00 O ATOM 1214 CB MET A 67 3.503 12.987 27.153 1.00 0.00 C ATOM 1215 CG MET A 67 4.260 14.017 26.329 1.00 0.00 C ATOM 1216 SD MET A 67 5.520 14.881 27.286 1.00 0.00 S ATOM 1217 CE MET A 67 4.517 15.642 28.560 1.00 0.00 C ATOM 0 H MET A 67 4.352 10.862 25.924 1.00 0.00 H new ATOM 0 HA MET A 67 5.207 12.367 28.308 1.00 0.00 H new ATOM 0 HB2 MET A 67 2.744 12.519 26.526 1.00 0.00 H new ATOM 0 HB3 MET A 67 2.979 13.495 27.962 1.00 0.00 H new ATOM 0 HG2 MET A 67 4.730 13.522 25.479 1.00 0.00 H new ATOM 0 HG3 MET A 67 3.555 14.743 25.925 1.00 0.00 H new ATOM 0 HE1 MET A 67 5.084 16.439 29.042 1.00 0.00 H new ATOM 0 HE2 MET A 67 3.615 16.058 28.112 1.00 0.00 H new ATOM 0 HE3 MET A 67 4.241 14.893 29.302 1.00 0.00 H new ATOM 1227 N ASN A 68 3.226 11.592 29.846 1.00 0.00 N ATOM 1228 CA ASN A 68 2.453 10.866 30.847 1.00 0.00 C ATOM 1229 C ASN A 68 0.957 10.954 30.554 1.00 0.00 C ATOM 1230 O ASN A 68 0.298 11.869 31.090 1.00 0.00 O ATOM 1231 CB ASN A 68 2.753 11.411 32.246 1.00 0.00 C ATOM 1232 CG ASN A 68 2.757 12.927 32.295 1.00 0.00 C ATOM 1233 OD1 ASN A 68 3.773 13.565 32.022 1.00 0.00 O ATOM 1234 ND2 ASN A 68 1.619 13.513 32.650 1.00 0.00 N ATOM 1235 OXT ASN A 68 0.455 10.105 29.786 1.00 0.00 O ATOM 0 H ASN A 68 3.452 12.553 30.103 1.00 0.00 H new ATOM 0 HA ASN A 68 2.745 9.817 30.806 1.00 0.00 H new ATOM 0 HB2 ASN A 68 2.010 11.031 32.947 1.00 0.00 H new ATOM 0 HB3 ASN A 68 3.723 11.038 32.577 1.00 0.00 H new ATOM 0 HD21 ASN A 68 1.564 14.530 32.704 1.00 0.00 H new ATOM 0 HD22 ASN A 68 0.800 12.946 32.868 1.00 0.00 H new TER 1242 ASN A 68