USER MOD reduce.3.24.130724 H: found=0, std=0, add=478, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 472 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 59 HIS : no HD1:sc= -1.82 K(o=-2.1,f=-5.9!) USER MOD Set 1.2: A 60 HIS :FLIP no HE2:sc= -0.299 F(o=-4.3,f=-2.1) USER MOD Set 2.1: A 56 LYS NZ :NH3+ -168:sc= -2.94 (180deg=-4) USER MOD Set 2.2: A 57 LYS NZ :NH3+ 179:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl 171:sc= 0 (180deg=-0.179) USER MOD Single : A 1 MET N :NH3+ -118:sc= 0.161 (180deg=-0.0967) USER MOD Single : A 9 ASN :FLIP amide:sc= -4.4! C(o=-7!,f=-4.4!) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -1.31! C(o=-1.3!,f=-13!) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 CYS SG : rot -64:sc= -2.13! USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot -53:sc= 0.0412! USER MOD Single : A 25 LYS NZ :NH3+ 174:sc= -4.36! (180deg=-4.48!) USER MOD Single : A 26 SER OG : rot -49:sc= 0.604 USER MOD Single : A 27 SER OG : rot -44:sc= 0.365 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.52 USER MOD Single : A 44 THR OG1 : rot -55:sc= 1.18 USER MOD Single : A 46 ASN : amide:sc= -0.705! X(o=-0.7!,f=-0.74) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 HIS : no HE2:sc= -2.58! C(o=-2.6!,f=-8.1!) USER MOD Single : A 62 HIS : no HE2:sc= -5.22! C(o=-5.2!,f=-7.8!) USER MOD Single : A 63 HIS : no HD1:sc= -0.222 X(o=-0.22,f=-0.012) USER MOD Single : A 64 HIS : no HE2:sc= -0.485 K(o=-0.48,f=-2.5) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 51.564 18.292 -13.327 1.00 1.00 N ATOM 2 CA MET A 1 50.764 18.620 -12.113 1.00 1.00 C ATOM 3 C MET A 1 51.467 18.066 -10.878 1.00 1.00 C ATOM 4 O MET A 1 52.521 17.438 -10.982 1.00 1.00 O ATOM 5 CB MET A 1 49.370 18.000 -12.241 1.00 1.00 C ATOM 6 CG MET A 1 48.512 18.861 -13.170 1.00 1.00 C ATOM 7 SD MET A 1 47.127 17.878 -13.796 1.00 1.00 S ATOM 8 CE MET A 1 46.180 17.814 -12.255 1.00 1.00 C ATOM 0 H1 MET A 1 51.874 19.172 -13.787 1.00 1.00 H new ATOM 0 H2 MET A 1 52.397 17.733 -13.053 1.00 1.00 H new ATOM 0 H3 MET A 1 50.980 17.742 -13.989 1.00 1.00 H new ATOM 0 HA MET A 1 50.669 19.701 -12.016 1.00 1.00 H new ATOM 0 HB2 MET A 1 49.446 16.986 -12.634 1.00 1.00 H new ATOM 0 HB3 MET A 1 48.901 17.927 -11.260 1.00 1.00 H new ATOM 0 HG2 MET A 1 48.139 19.734 -12.633 1.00 1.00 H new ATOM 0 HG3 MET A 1 49.114 19.230 -14.000 1.00 1.00 H new ATOM 0 HE1 MET A 1 45.197 17.385 -12.450 1.00 1.00 H new ATOM 0 HE2 MET A 1 46.708 17.196 -11.529 1.00 1.00 H new ATOM 0 HE3 MET A 1 46.064 18.822 -11.857 1.00 1.00 H new ATOM 20 N GLU A 2 50.878 18.304 -9.711 1.00 1.00 N ATOM 21 CA GLU A 2 51.458 17.825 -8.461 1.00 1.00 C ATOM 22 C GLU A 2 50.365 17.342 -7.515 1.00 1.00 C ATOM 23 O GLU A 2 50.075 17.987 -6.507 1.00 1.00 O ATOM 24 CB GLU A 2 52.258 18.944 -7.793 1.00 1.00 C ATOM 25 CG GLU A 2 51.462 20.249 -7.855 1.00 1.00 C ATOM 26 CD GLU A 2 51.548 20.977 -6.519 1.00 1.00 C ATOM 27 OE1 GLU A 2 50.804 20.618 -5.621 1.00 1.00 O ATOM 28 OE2 GLU A 2 52.357 21.883 -6.411 1.00 1.00 O ATOM 0 H GLU A 2 50.006 18.822 -9.604 1.00 1.00 H new ATOM 0 HA GLU A 2 52.122 16.991 -8.686 1.00 1.00 H new ATOM 0 HB2 GLU A 2 52.470 18.684 -6.756 1.00 1.00 H new ATOM 0 HB3 GLU A 2 53.218 19.067 -8.294 1.00 1.00 H new ATOM 0 HG2 GLU A 2 51.851 20.885 -8.650 1.00 1.00 H new ATOM 0 HG3 GLU A 2 50.420 20.038 -8.097 1.00 1.00 H new ATOM 35 N GLU A 3 49.764 16.204 -7.844 1.00 1.00 N ATOM 36 CA GLU A 3 48.703 15.642 -7.014 1.00 1.00 C ATOM 37 C GLU A 3 49.280 14.660 -6.000 1.00 1.00 C ATOM 38 O GLU A 3 49.341 13.457 -6.253 1.00 1.00 O ATOM 39 CB GLU A 3 47.675 14.928 -7.892 1.00 1.00 C ATOM 40 CG GLU A 3 48.373 14.337 -9.118 1.00 1.00 C ATOM 41 CD GLU A 3 47.481 13.289 -9.773 1.00 1.00 C ATOM 42 OE1 GLU A 3 46.277 13.487 -9.782 1.00 1.00 O ATOM 43 OE2 GLU A 3 48.013 12.304 -10.257 1.00 1.00 O ATOM 0 H GLU A 3 49.991 15.655 -8.673 1.00 1.00 H new ATOM 0 HA GLU A 3 48.217 16.457 -6.477 1.00 1.00 H new ATOM 0 HB2 GLU A 3 47.183 14.138 -7.325 1.00 1.00 H new ATOM 0 HB3 GLU A 3 46.899 15.627 -8.204 1.00 1.00 H new ATOM 0 HG2 GLU A 3 48.603 15.128 -9.832 1.00 1.00 H new ATOM 0 HG3 GLU A 3 49.321 13.887 -8.825 1.00 1.00 H new ATOM 50 N GLY A 4 49.704 15.181 -4.853 1.00 1.00 N ATOM 51 CA GLY A 4 50.276 14.339 -3.809 1.00 1.00 C ATOM 52 C GLY A 4 51.798 14.329 -3.890 1.00 1.00 C ATOM 53 O GLY A 4 52.472 13.755 -3.034 1.00 1.00 O ATOM 0 H GLY A 4 49.663 16.174 -4.624 1.00 1.00 H new ATOM 0 HA2 GLY A 4 49.962 14.703 -2.831 1.00 1.00 H new ATOM 0 HA3 GLY A 4 49.896 13.322 -3.908 1.00 1.00 H new ATOM 57 N GLY A 5 52.335 14.968 -4.924 1.00 1.00 N ATOM 58 CA GLY A 5 53.780 15.026 -5.108 1.00 1.00 C ATOM 59 C GLY A 5 54.402 16.082 -4.200 1.00 1.00 C ATOM 60 O GLY A 5 53.957 16.282 -3.069 1.00 1.00 O ATOM 0 H GLY A 5 51.795 15.450 -5.643 1.00 1.00 H new ATOM 0 HA2 GLY A 5 54.218 14.051 -4.892 1.00 1.00 H new ATOM 0 HA3 GLY A 5 54.009 15.255 -6.149 1.00 1.00 H new ATOM 64 N ASP A 6 55.433 16.755 -4.701 1.00 1.00 N ATOM 65 CA ASP A 6 56.107 17.788 -3.925 1.00 1.00 C ATOM 66 C ASP A 6 56.929 17.163 -2.801 1.00 1.00 C ATOM 67 O ASP A 6 57.137 17.778 -1.756 1.00 1.00 O ATOM 68 CB ASP A 6 55.078 18.751 -3.332 1.00 1.00 C ATOM 69 CG ASP A 6 55.675 20.150 -3.221 1.00 1.00 C ATOM 70 OD1 ASP A 6 56.841 20.250 -2.878 1.00 1.00 O ATOM 71 OD2 ASP A 6 54.957 21.102 -3.481 1.00 1.00 O ATOM 0 H ASP A 6 55.817 16.605 -5.634 1.00 1.00 H new ATOM 0 HA ASP A 6 56.776 18.336 -4.588 1.00 1.00 H new ATOM 0 HB2 ASP A 6 54.187 18.776 -3.960 1.00 1.00 H new ATOM 0 HB3 ASP A 6 54.765 18.401 -2.348 1.00 1.00 H new ATOM 76 N PHE A 7 57.392 15.938 -3.026 1.00 1.00 N ATOM 77 CA PHE A 7 58.190 15.238 -2.025 1.00 1.00 C ATOM 78 C PHE A 7 57.351 14.945 -0.785 1.00 1.00 C ATOM 79 O PHE A 7 57.683 15.379 0.318 1.00 1.00 O ATOM 80 CB PHE A 7 59.402 16.085 -1.634 1.00 1.00 C ATOM 81 CG PHE A 7 59.936 16.797 -2.855 1.00 1.00 C ATOM 82 CD1 PHE A 7 60.608 16.076 -3.849 1.00 1.00 C ATOM 83 CD2 PHE A 7 59.760 18.180 -2.991 1.00 1.00 C ATOM 84 CE1 PHE A 7 61.104 16.736 -4.979 1.00 1.00 C ATOM 85 CE2 PHE A 7 60.256 18.840 -4.121 1.00 1.00 C ATOM 86 CZ PHE A 7 60.929 18.119 -5.115 1.00 1.00 C ATOM 0 H PHE A 7 57.230 15.412 -3.885 1.00 1.00 H new ATOM 0 HA PHE A 7 58.531 14.295 -2.453 1.00 1.00 H new ATOM 0 HB2 PHE A 7 59.121 16.811 -0.871 1.00 1.00 H new ATOM 0 HB3 PHE A 7 60.177 15.452 -1.201 1.00 1.00 H new ATOM 0 HD1 PHE A 7 60.744 15.010 -3.744 1.00 1.00 H new ATOM 0 HD2 PHE A 7 59.242 18.737 -2.224 1.00 1.00 H new ATOM 0 HE1 PHE A 7 61.622 16.179 -5.746 1.00 1.00 H new ATOM 0 HE2 PHE A 7 60.120 19.906 -4.226 1.00 1.00 H new ATOM 0 HZ PHE A 7 61.313 18.629 -5.986 1.00 1.00 H new ATOM 96 N ASP A 8 56.262 14.207 -0.974 1.00 1.00 N ATOM 97 CA ASP A 8 55.382 13.864 0.135 1.00 1.00 C ATOM 98 C ASP A 8 54.423 12.750 -0.267 1.00 1.00 C ATOM 99 O ASP A 8 53.212 12.957 -0.342 1.00 1.00 O ATOM 100 CB ASP A 8 54.585 15.098 0.565 1.00 1.00 C ATOM 101 CG ASP A 8 53.523 14.704 1.585 1.00 1.00 C ATOM 102 OD1 ASP A 8 53.821 13.881 2.436 1.00 1.00 O ATOM 103 OD2 ASP A 8 52.424 15.228 1.499 1.00 1.00 O ATOM 0 H ASP A 8 55.970 13.837 -1.879 1.00 1.00 H new ATOM 0 HA ASP A 8 55.993 13.516 0.968 1.00 1.00 H new ATOM 0 HB2 ASP A 8 55.255 15.842 0.995 1.00 1.00 H new ATOM 0 HB3 ASP A 8 54.114 15.557 -0.304 1.00 1.00 H new ATOM 108 N ASN A 9 54.972 11.568 -0.521 1.00 1.00 N ATOM 109 CA ASN A 9 54.152 10.427 -0.912 1.00 1.00 C ATOM 110 C ASN A 9 53.377 9.894 0.287 1.00 1.00 C ATOM 111 O ASN A 9 52.243 9.437 0.151 1.00 1.00 O ATOM 112 CB ASN A 9 55.031 9.315 -1.486 1.00 1.00 C ATOM 113 CG ASN A 9 55.829 9.838 -2.676 1.00 1.00 C ATOM 114 OD1 ASN A 9 56.757 9.087 -3.205 1.00 1.00 O flip ATOM 115 ND2 ASN A 9 55.600 10.955 -3.138 1.00 1.00 N flip ATOM 0 H ASN A 9 55.972 11.375 -0.464 1.00 1.00 H new ATOM 0 HA ASN A 9 53.447 10.758 -1.675 1.00 1.00 H new ATOM 0 HB2 ASN A 9 55.710 8.945 -0.718 1.00 1.00 H new ATOM 0 HB3 ASN A 9 54.411 8.474 -1.796 1.00 1.00 H new ATOM 0 HD21 ASN A 9 54.875 11.540 -2.723 1.00 1.00 H new ATOM 0 HD22 ASN A 9 56.136 11.296 -3.936 1.00 1.00 H new ATOM 122 N TYR A 10 53.998 9.958 1.462 1.00 1.00 N ATOM 123 CA TYR A 10 53.351 9.478 2.676 1.00 1.00 C ATOM 124 C TYR A 10 53.871 10.224 3.901 1.00 1.00 C ATOM 125 O TYR A 10 53.091 10.719 4.714 1.00 1.00 O ATOM 126 CB TYR A 10 53.602 7.978 2.846 1.00 1.00 C ATOM 127 CG TYR A 10 52.485 7.371 3.660 1.00 1.00 C ATOM 128 CD1 TYR A 10 52.582 7.323 5.056 1.00 1.00 C ATOM 129 CD2 TYR A 10 51.351 6.857 3.019 1.00 1.00 C ATOM 130 CE1 TYR A 10 51.545 6.762 5.811 1.00 1.00 C ATOM 131 CE2 TYR A 10 50.315 6.295 3.774 1.00 1.00 C ATOM 132 CZ TYR A 10 50.412 6.248 5.170 1.00 1.00 C ATOM 133 OH TYR A 10 49.390 5.694 5.914 1.00 1.00 O ATOM 0 H TYR A 10 54.937 10.333 1.597 1.00 1.00 H new ATOM 0 HA TYR A 10 52.280 9.661 2.585 1.00 1.00 H new ATOM 0 HB2 TYR A 10 53.660 7.495 1.871 1.00 1.00 H new ATOM 0 HB3 TYR A 10 54.559 7.812 3.341 1.00 1.00 H new ATOM 0 HD1 TYR A 10 53.457 7.719 5.550 1.00 1.00 H new ATOM 0 HD2 TYR A 10 51.276 6.894 1.942 1.00 1.00 H new ATOM 0 HE1 TYR A 10 51.619 6.726 6.888 1.00 1.00 H new ATOM 0 HE2 TYR A 10 49.441 5.898 3.280 1.00 1.00 H new ATOM 0 HH TYR A 10 48.679 5.386 5.314 1.00 1.00 H new ATOM 143 N TYR A 11 55.191 10.302 4.027 1.00 1.00 N ATOM 144 CA TYR A 11 55.798 10.992 5.159 1.00 1.00 C ATOM 145 C TYR A 11 57.001 11.806 4.704 1.00 1.00 C ATOM 146 O TYR A 11 57.956 12.015 5.456 1.00 1.00 O ATOM 147 CB TYR A 11 56.218 9.977 6.229 1.00 1.00 C ATOM 148 CG TYR A 11 57.628 9.499 5.963 1.00 1.00 C ATOM 149 CD1 TYR A 11 58.001 9.090 4.678 1.00 1.00 C ATOM 150 CD2 TYR A 11 58.562 9.469 7.006 1.00 1.00 C ATOM 151 CE1 TYR A 11 59.308 8.650 4.435 1.00 1.00 C ATOM 152 CE2 TYR A 11 59.869 9.029 6.764 1.00 1.00 C ATOM 153 CZ TYR A 11 60.242 8.619 5.478 1.00 1.00 C ATOM 154 OH TYR A 11 61.530 8.187 5.238 1.00 1.00 O ATOM 0 H TYR A 11 55.856 9.900 3.366 1.00 1.00 H new ATOM 0 HA TYR A 11 55.063 11.673 5.587 1.00 1.00 H new ATOM 0 HB2 TYR A 11 56.160 10.433 7.217 1.00 1.00 H new ATOM 0 HB3 TYR A 11 55.532 9.130 6.228 1.00 1.00 H new ATOM 0 HD1 TYR A 11 57.281 9.114 3.873 1.00 1.00 H new ATOM 0 HD2 TYR A 11 58.274 9.785 7.998 1.00 1.00 H new ATOM 0 HE1 TYR A 11 59.596 8.334 3.443 1.00 1.00 H new ATOM 0 HE2 TYR A 11 60.589 9.006 7.569 1.00 1.00 H new ATOM 0 HH TYR A 11 62.049 8.229 6.068 1.00 1.00 H new ATOM 164 N GLY A 12 56.935 12.271 3.466 1.00 1.00 N ATOM 165 CA GLY A 12 58.011 13.070 2.892 1.00 1.00 C ATOM 166 C GLY A 12 58.633 12.361 1.695 1.00 1.00 C ATOM 167 O GLY A 12 59.807 12.569 1.387 1.00 1.00 O ATOM 0 H GLY A 12 56.148 12.110 2.838 1.00 1.00 H new ATOM 0 HA2 GLY A 12 57.624 14.041 2.584 1.00 1.00 H new ATOM 0 HA3 GLY A 12 58.775 13.256 3.647 1.00 1.00 H new ATOM 171 N ALA A 13 57.839 11.519 1.034 1.00 1.00 N ATOM 172 CA ALA A 13 58.308 10.770 -0.130 1.00 1.00 C ATOM 173 C ALA A 13 58.976 9.474 0.311 1.00 1.00 C ATOM 174 O ALA A 13 60.167 9.449 0.625 1.00 1.00 O ATOM 175 CB ALA A 13 59.289 11.607 -0.959 1.00 1.00 C ATOM 0 H ALA A 13 56.867 11.339 1.286 1.00 1.00 H new ATOM 0 HA ALA A 13 57.444 10.533 -0.752 1.00 1.00 H new ATOM 0 HB1 ALA A 13 59.624 11.028 -1.820 1.00 1.00 H new ATOM 0 HB2 ALA A 13 58.793 12.514 -1.303 1.00 1.00 H new ATOM 0 HB3 ALA A 13 60.149 11.874 -0.345 1.00 1.00 H new ATOM 181 N ASP A 14 58.191 8.400 0.339 1.00 1.00 N ATOM 182 CA ASP A 14 58.697 7.097 0.749 1.00 1.00 C ATOM 183 C ASP A 14 58.598 6.099 -0.399 1.00 1.00 C ATOM 184 O ASP A 14 59.186 5.019 -0.349 1.00 1.00 O ATOM 185 CB ASP A 14 57.891 6.587 1.944 1.00 1.00 C ATOM 186 CG ASP A 14 57.039 5.394 1.527 1.00 1.00 C ATOM 187 OD1 ASP A 14 57.542 4.283 1.577 1.00 1.00 O ATOM 188 OD2 ASP A 14 55.894 5.608 1.164 1.00 1.00 O ATOM 0 H ASP A 14 57.204 8.408 0.083 1.00 1.00 H new ATOM 0 HA ASP A 14 59.745 7.202 1.031 1.00 1.00 H new ATOM 0 HB2 ASP A 14 58.565 6.299 2.751 1.00 1.00 H new ATOM 0 HB3 ASP A 14 57.253 7.383 2.329 1.00 1.00 H new ATOM 193 N ASN A 15 57.849 6.469 -1.434 1.00 1.00 N ATOM 194 CA ASN A 15 57.678 5.598 -2.592 1.00 1.00 C ATOM 195 C ASN A 15 57.452 6.426 -3.853 1.00 1.00 C ATOM 196 O ASN A 15 56.332 6.850 -4.137 1.00 1.00 O ATOM 197 CB ASN A 15 56.485 4.666 -2.370 1.00 1.00 C ATOM 198 CG ASN A 15 56.398 3.649 -3.502 1.00 1.00 C ATOM 199 OD1 ASN A 15 56.533 4.008 -4.673 1.00 1.00 O ATOM 200 ND2 ASN A 15 56.177 2.394 -3.223 1.00 1.00 N ATOM 0 H ASN A 15 57.354 7.359 -1.495 1.00 1.00 H new ATOM 0 HA ASN A 15 58.584 5.005 -2.717 1.00 1.00 H new ATOM 0 HB2 ASN A 15 56.589 4.151 -1.415 1.00 1.00 H new ATOM 0 HB3 ASN A 15 55.564 5.247 -2.321 1.00 1.00 H new ATOM 0 HD21 ASN A 15 56.116 1.708 -3.975 1.00 1.00 H new ATOM 0 HD22 ASN A 15 56.066 2.099 -2.253 1.00 1.00 H new ATOM 207 N GLN A 16 58.524 6.652 -4.606 1.00 1.00 N ATOM 208 CA GLN A 16 58.432 7.432 -5.835 1.00 1.00 C ATOM 209 C GLN A 16 57.773 6.614 -6.942 1.00 1.00 C ATOM 210 O GLN A 16 57.958 6.896 -8.126 1.00 1.00 O ATOM 211 CB GLN A 16 59.828 7.868 -6.282 1.00 1.00 C ATOM 212 CG GLN A 16 60.320 9.004 -5.382 1.00 1.00 C ATOM 213 CD GLN A 16 61.815 8.854 -5.124 1.00 1.00 C ATOM 214 OE1 GLN A 16 62.619 9.606 -5.676 1.00 1.00 O ATOM 215 NE2 GLN A 16 62.240 7.924 -4.314 1.00 1.00 N ATOM 0 H GLN A 16 59.460 6.309 -4.389 1.00 1.00 H new ATOM 0 HA GLN A 16 57.822 8.313 -5.639 1.00 1.00 H new ATOM 0 HB2 GLN A 16 60.517 7.025 -6.232 1.00 1.00 H new ATOM 0 HB3 GLN A 16 59.803 8.198 -7.321 1.00 1.00 H new ATOM 0 HG2 GLN A 16 60.119 9.966 -5.854 1.00 1.00 H new ATOM 0 HG3 GLN A 16 59.776 8.992 -4.437 1.00 1.00 H new ATOM 0 HE21 GLN A 16 61.573 7.302 -3.857 1.00 1.00 H new ATOM 0 HE22 GLN A 16 63.239 7.819 -4.137 1.00 1.00 H new ATOM 224 N SER A 17 57.009 5.599 -6.548 1.00 1.00 N ATOM 225 CA SER A 17 56.328 4.742 -7.512 1.00 1.00 C ATOM 226 C SER A 17 57.292 3.701 -8.069 1.00 1.00 C ATOM 227 O SER A 17 57.313 3.437 -9.271 1.00 1.00 O ATOM 228 CB SER A 17 55.758 5.581 -8.656 1.00 1.00 C ATOM 229 OG SER A 17 54.556 4.984 -9.123 1.00 1.00 O ATOM 0 H SER A 17 56.847 5.351 -5.572 1.00 1.00 H new ATOM 0 HA SER A 17 55.510 4.232 -7.003 1.00 1.00 H new ATOM 0 HB2 SER A 17 55.564 6.598 -8.315 1.00 1.00 H new ATOM 0 HB3 SER A 17 56.482 5.650 -9.468 1.00 1.00 H new ATOM 0 HG SER A 17 54.187 5.521 -9.856 1.00 1.00 H new ATOM 235 N GLU A 18 58.091 3.118 -7.183 1.00 1.00 N ATOM 236 CA GLU A 18 59.060 2.108 -7.589 1.00 1.00 C ATOM 237 C GLU A 18 58.534 0.709 -7.284 1.00 1.00 C ATOM 238 O GLU A 18 58.055 0.443 -6.182 1.00 1.00 O ATOM 239 CB GLU A 18 60.381 2.336 -6.850 1.00 1.00 C ATOM 240 CG GLU A 18 61.189 1.037 -6.829 1.00 1.00 C ATOM 241 CD GLU A 18 62.659 1.346 -6.570 1.00 1.00 C ATOM 242 OE1 GLU A 18 63.336 1.743 -7.505 1.00 1.00 O ATOM 243 OE2 GLU A 18 63.089 1.181 -5.440 1.00 1.00 O ATOM 0 H GLU A 18 58.087 3.326 -6.184 1.00 1.00 H new ATOM 0 HA GLU A 18 59.224 2.192 -8.663 1.00 1.00 H new ATOM 0 HB2 GLU A 18 60.953 3.124 -7.341 1.00 1.00 H new ATOM 0 HB3 GLU A 18 60.186 2.671 -5.831 1.00 1.00 H new ATOM 0 HG2 GLU A 18 60.806 0.372 -6.055 1.00 1.00 H new ATOM 0 HG3 GLU A 18 61.080 0.515 -7.780 1.00 1.00 H new ATOM 250 N CYS A 19 58.626 -0.179 -8.267 1.00 1.00 N ATOM 251 CA CYS A 19 58.156 -1.549 -8.094 1.00 1.00 C ATOM 252 C CYS A 19 56.632 -1.592 -8.055 1.00 1.00 C ATOM 253 O CYS A 19 56.031 -2.666 -8.069 1.00 1.00 O ATOM 254 CB CYS A 19 58.720 -2.136 -6.798 1.00 1.00 C ATOM 255 SG CYS A 19 57.443 -2.103 -5.514 1.00 1.00 S ATOM 0 H CYS A 19 59.019 0.023 -9.186 1.00 1.00 H new ATOM 0 HA CYS A 19 58.503 -2.141 -8.941 1.00 1.00 H new ATOM 0 HB2 CYS A 19 59.056 -3.159 -6.966 1.00 1.00 H new ATOM 0 HB3 CYS A 19 59.590 -1.564 -6.475 1.00 1.00 H new ATOM 0 HG CYS A 19 57.126 -0.870 -5.249 1.00 1.00 H new ATOM 261 N GLU A 20 56.012 -0.417 -8.005 1.00 1.00 N ATOM 262 CA GLU A 20 54.557 -0.333 -7.965 1.00 1.00 C ATOM 263 C GLU A 20 53.972 -0.492 -9.365 1.00 1.00 C ATOM 264 O GLU A 20 53.090 0.266 -9.768 1.00 1.00 O ATOM 265 CB GLU A 20 54.127 1.014 -7.380 1.00 1.00 C ATOM 266 CG GLU A 20 52.753 0.870 -6.723 1.00 1.00 C ATOM 267 CD GLU A 20 52.083 2.235 -6.611 1.00 1.00 C ATOM 268 OE1 GLU A 20 51.603 2.722 -7.621 1.00 1.00 O ATOM 269 OE2 GLU A 20 52.059 2.773 -5.516 1.00 1.00 O ATOM 0 H GLU A 20 56.491 0.484 -7.991 1.00 1.00 H new ATOM 0 HA GLU A 20 54.183 -1.139 -7.334 1.00 1.00 H new ATOM 0 HB2 GLU A 20 54.858 1.354 -6.647 1.00 1.00 H new ATOM 0 HB3 GLU A 20 54.089 1.768 -8.166 1.00 1.00 H new ATOM 0 HG2 GLU A 20 52.129 0.196 -7.310 1.00 1.00 H new ATOM 0 HG3 GLU A 20 52.859 0.425 -5.733 1.00 1.00 H new ATOM 276 N TYR A 21 54.467 -1.483 -10.100 1.00 1.00 N ATOM 277 CA TYR A 21 53.986 -1.732 -11.453 1.00 1.00 C ATOM 278 C TYR A 21 53.025 -2.917 -11.470 1.00 1.00 C ATOM 279 O TYR A 21 51.811 -2.743 -11.577 1.00 1.00 O ATOM 280 CB TYR A 21 55.167 -2.018 -12.383 1.00 1.00 C ATOM 281 CG TYR A 21 56.221 -0.954 -12.196 1.00 1.00 C ATOM 282 CD1 TYR A 21 56.005 0.340 -12.683 1.00 1.00 C ATOM 283 CD2 TYR A 21 57.417 -1.262 -11.535 1.00 1.00 C ATOM 284 CE1 TYR A 21 56.984 1.327 -12.510 1.00 1.00 C ATOM 285 CE2 TYR A 21 58.396 -0.276 -11.361 1.00 1.00 C ATOM 286 CZ TYR A 21 58.179 1.018 -11.848 1.00 1.00 C ATOM 287 OH TYR A 21 59.143 1.990 -11.677 1.00 1.00 O ATOM 0 H TYR A 21 55.196 -2.122 -9.784 1.00 1.00 H new ATOM 0 HA TYR A 21 53.457 -0.844 -11.800 1.00 1.00 H new ATOM 0 HB2 TYR A 21 55.585 -3.001 -12.167 1.00 1.00 H new ATOM 0 HB3 TYR A 21 54.832 -2.035 -13.420 1.00 1.00 H new ATOM 0 HD1 TYR A 21 55.083 0.578 -13.193 1.00 1.00 H new ATOM 0 HD2 TYR A 21 57.584 -2.261 -11.159 1.00 1.00 H new ATOM 0 HE1 TYR A 21 56.817 2.325 -12.887 1.00 1.00 H new ATOM 0 HE2 TYR A 21 59.318 -0.514 -10.851 1.00 1.00 H new ATOM 0 HH TYR A 21 59.909 1.610 -11.198 1.00 1.00 H new ATOM 297 N THR A 22 53.576 -4.122 -11.364 1.00 1.00 N ATOM 298 CA THR A 22 52.759 -5.329 -11.368 1.00 1.00 C ATOM 299 C THR A 22 53.579 -6.531 -10.910 1.00 1.00 C ATOM 300 O THR A 22 53.306 -7.667 -11.300 1.00 1.00 O ATOM 301 CB THR A 22 52.213 -5.586 -12.775 1.00 1.00 C ATOM 302 OG1 THR A 22 51.875 -4.346 -13.383 1.00 1.00 O ATOM 303 CG2 THR A 22 50.968 -6.470 -12.690 1.00 1.00 C ATOM 0 H THR A 22 54.578 -4.288 -11.275 1.00 1.00 H new ATOM 0 HA THR A 22 51.928 -5.186 -10.677 1.00 1.00 H new ATOM 0 HB THR A 22 52.972 -6.091 -13.372 1.00 1.00 H new ATOM 0 HG1 THR A 22 51.272 -3.846 -12.794 1.00 1.00 H new ATOM 0 HG21 THR A 22 50.581 -6.651 -13.693 1.00 1.00 H new ATOM 0 HG22 THR A 22 51.228 -7.420 -12.224 1.00 1.00 H new ATOM 0 HG23 THR A 22 50.206 -5.969 -12.093 1.00 1.00 H new ATOM 311 N ASP A 23 54.584 -6.273 -10.080 1.00 1.00 N ATOM 312 CA ASP A 23 55.438 -7.342 -9.575 1.00 1.00 C ATOM 313 C ASP A 23 55.789 -7.098 -8.110 1.00 1.00 C ATOM 314 O ASP A 23 56.849 -7.512 -7.640 1.00 1.00 O ATOM 315 CB ASP A 23 56.720 -7.422 -10.404 1.00 1.00 C ATOM 316 CG ASP A 23 57.029 -8.874 -10.751 1.00 1.00 C ATOM 317 OD1 ASP A 23 57.005 -9.695 -9.849 1.00 1.00 O ATOM 318 OD2 ASP A 23 57.282 -9.144 -11.914 1.00 1.00 O ATOM 0 H ASP A 23 54.826 -5.341 -9.745 1.00 1.00 H new ATOM 0 HA ASP A 23 54.896 -8.285 -9.655 1.00 1.00 H new ATOM 0 HB2 ASP A 23 56.609 -6.837 -11.317 1.00 1.00 H new ATOM 0 HB3 ASP A 23 57.550 -6.988 -9.847 1.00 1.00 H new ATOM 323 N TRP A 24 54.891 -6.422 -7.398 1.00 1.00 N ATOM 324 CA TRP A 24 55.111 -6.123 -5.986 1.00 1.00 C ATOM 325 C TRP A 24 53.904 -6.548 -5.156 1.00 1.00 C ATOM 326 O TRP A 24 53.875 -6.354 -3.942 1.00 1.00 O ATOM 327 CB TRP A 24 55.354 -4.624 -5.802 1.00 1.00 C ATOM 328 CG TRP A 24 54.141 -3.866 -6.238 1.00 1.00 C ATOM 329 CD1 TRP A 24 53.679 -3.805 -7.508 1.00 1.00 C ATOM 330 CD2 TRP A 24 53.232 -3.064 -5.431 1.00 1.00 C ATOM 331 NE1 TRP A 24 52.542 -3.016 -7.532 1.00 1.00 N ATOM 332 CE2 TRP A 24 52.226 -2.536 -6.276 1.00 1.00 C ATOM 333 CE3 TRP A 24 53.181 -2.746 -4.062 1.00 1.00 C ATOM 334 CZ2 TRP A 24 51.208 -1.722 -5.780 1.00 1.00 C ATOM 335 CZ3 TRP A 24 52.157 -1.926 -3.560 1.00 1.00 C ATOM 336 CH2 TRP A 24 51.172 -1.416 -4.417 1.00 1.00 C ATOM 0 H TRP A 24 54.009 -6.073 -7.773 1.00 1.00 H new ATOM 0 HA TRP A 24 55.986 -6.678 -5.648 1.00 1.00 H new ATOM 0 HB2 TRP A 24 55.576 -4.406 -4.757 1.00 1.00 H new ATOM 0 HB3 TRP A 24 56.221 -4.311 -6.384 1.00 1.00 H new ATOM 0 HD1 TRP A 24 54.124 -4.292 -8.363 1.00 1.00 H new ATOM 0 HE1 TRP A 24 52.003 -2.814 -8.374 1.00 1.00 H new ATOM 0 HE3 TRP A 24 53.934 -3.135 -3.392 1.00 1.00 H new ATOM 0 HZ2 TRP A 24 50.452 -1.331 -6.445 1.00 1.00 H new ATOM 0 HZ3 TRP A 24 52.128 -1.687 -2.507 1.00 1.00 H new ATOM 0 HH2 TRP A 24 50.386 -0.787 -4.024 1.00 1.00 H new ATOM 347 N LYS A 25 52.909 -7.127 -5.821 1.00 1.00 N ATOM 348 CA LYS A 25 51.704 -7.577 -5.134 1.00 1.00 C ATOM 349 C LYS A 25 51.074 -8.751 -5.874 1.00 1.00 C ATOM 350 O LYS A 25 49.893 -9.051 -5.693 1.00 1.00 O ATOM 351 CB LYS A 25 50.692 -6.429 -5.028 1.00 1.00 C ATOM 352 CG LYS A 25 50.725 -5.578 -6.303 1.00 1.00 C ATOM 353 CD LYS A 25 50.380 -6.447 -7.514 1.00 1.00 C ATOM 354 CE LYS A 25 49.934 -5.552 -8.672 1.00 1.00 C ATOM 355 NZ LYS A 25 49.888 -6.351 -9.928 1.00 1.00 N ATOM 0 H LYS A 25 52.913 -7.295 -6.827 1.00 1.00 H new ATOM 0 HA LYS A 25 51.983 -7.901 -4.131 1.00 1.00 H new ATOM 0 HB2 LYS A 25 49.690 -6.830 -4.875 1.00 1.00 H new ATOM 0 HB3 LYS A 25 50.923 -5.809 -4.162 1.00 1.00 H new ATOM 0 HG2 LYS A 25 50.015 -4.755 -6.220 1.00 1.00 H new ATOM 0 HG3 LYS A 25 51.713 -5.136 -6.431 1.00 1.00 H new ATOM 0 HD2 LYS A 25 51.247 -7.038 -7.810 1.00 1.00 H new ATOM 0 HD3 LYS A 25 49.587 -7.150 -7.257 1.00 1.00 H new ATOM 0 HE2 LYS A 25 48.952 -5.129 -8.461 1.00 1.00 H new ATOM 0 HE3 LYS A 25 50.624 -4.715 -8.786 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 49.489 -5.771 -10.694 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 50.851 -6.649 -10.185 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 49.293 -7.191 -9.783 1.00 1.00 H new ATOM 369 N SER A 26 51.869 -9.411 -6.709 1.00 1.00 N ATOM 370 CA SER A 26 51.380 -10.552 -7.474 1.00 1.00 C ATOM 371 C SER A 26 52.543 -11.323 -8.091 1.00 1.00 C ATOM 372 O SER A 26 52.382 -11.996 -9.109 1.00 1.00 O ATOM 373 CB SER A 26 50.439 -10.074 -8.578 1.00 1.00 C ATOM 374 OG SER A 26 49.777 -11.196 -9.151 1.00 1.00 O ATOM 0 H SER A 26 52.848 -9.178 -6.873 1.00 1.00 H new ATOM 0 HA SER A 26 50.840 -11.214 -6.798 1.00 1.00 H new ATOM 0 HB2 SER A 26 49.708 -9.375 -8.171 1.00 1.00 H new ATOM 0 HB3 SER A 26 51.001 -9.539 -9.344 1.00 1.00 H new ATOM 0 HG SER A 26 50.435 -11.889 -9.368 1.00 1.00 H new ATOM 380 N SER A 27 53.712 -11.221 -7.468 1.00 1.00 N ATOM 381 CA SER A 27 54.893 -11.917 -7.964 1.00 1.00 C ATOM 382 C SER A 27 54.773 -13.415 -7.705 1.00 1.00 C ATOM 383 O SER A 27 55.755 -14.153 -7.798 1.00 1.00 O ATOM 384 CB SER A 27 56.147 -11.376 -7.277 1.00 1.00 C ATOM 385 OG SER A 27 56.237 -9.974 -7.500 1.00 1.00 O ATOM 0 H SER A 27 53.867 -10.668 -6.625 1.00 1.00 H new ATOM 0 HA SER A 27 54.970 -11.748 -9.038 1.00 1.00 H new ATOM 0 HB2 SER A 27 56.108 -11.584 -6.208 1.00 1.00 H new ATOM 0 HB3 SER A 27 57.034 -11.876 -7.667 1.00 1.00 H new ATOM 0 HG SER A 27 56.030 -9.778 -8.438 1.00 1.00 H new ATOM 391 N GLY A 28 53.562 -13.855 -7.381 1.00 1.00 N ATOM 392 CA GLY A 28 53.317 -15.266 -7.109 1.00 1.00 C ATOM 393 C GLY A 28 52.162 -15.441 -6.127 1.00 1.00 C ATOM 394 O GLY A 28 51.673 -16.553 -5.924 1.00 1.00 O ATOM 0 H GLY A 28 52.739 -13.258 -7.301 1.00 1.00 H new ATOM 0 HA2 GLY A 28 53.089 -15.785 -8.040 1.00 1.00 H new ATOM 0 HA3 GLY A 28 54.218 -15.723 -6.701 1.00 1.00 H new ATOM 398 N ALA A 29 51.735 -14.336 -5.517 1.00 1.00 N ATOM 399 CA ALA A 29 50.639 -14.366 -4.555 1.00 1.00 C ATOM 400 C ALA A 29 51.152 -14.773 -3.178 1.00 1.00 C ATOM 401 O ALA A 29 50.455 -15.445 -2.418 1.00 1.00 O ATOM 402 CB ALA A 29 49.553 -15.343 -5.012 1.00 1.00 C ATOM 0 H ALA A 29 52.133 -13.410 -5.673 1.00 1.00 H new ATOM 0 HA ALA A 29 50.211 -13.365 -4.493 1.00 1.00 H new ATOM 0 HB1 ALA A 29 48.743 -15.353 -4.283 1.00 1.00 H new ATOM 0 HB2 ALA A 29 49.165 -15.029 -5.981 1.00 1.00 H new ATOM 0 HB3 ALA A 29 49.977 -16.344 -5.098 1.00 1.00 H new ATOM 408 N LEU A 30 52.375 -14.351 -2.868 1.00 1.00 N ATOM 409 CA LEU A 30 52.983 -14.666 -1.580 1.00 1.00 C ATOM 410 C LEU A 30 53.103 -13.406 -0.728 1.00 1.00 C ATOM 411 O LEU A 30 53.114 -13.474 0.501 1.00 1.00 O ATOM 412 CB LEU A 30 54.370 -15.275 -1.791 1.00 1.00 C ATOM 413 CG LEU A 30 55.121 -14.473 -2.856 1.00 1.00 C ATOM 414 CD1 LEU A 30 56.579 -14.296 -2.430 1.00 1.00 C ATOM 415 CD2 LEU A 30 55.069 -15.222 -4.190 1.00 1.00 C ATOM 0 H LEU A 30 52.962 -13.793 -3.488 1.00 1.00 H new ATOM 0 HA LEU A 30 52.348 -15.385 -1.063 1.00 1.00 H new ATOM 0 HB2 LEU A 30 54.928 -15.269 -0.855 1.00 1.00 H new ATOM 0 HB3 LEU A 30 54.279 -16.316 -2.101 1.00 1.00 H new ATOM 0 HG LEU A 30 54.654 -13.495 -2.968 1.00 1.00 H new ATOM 0 HD11 LEU A 30 57.113 -13.725 -3.189 1.00 1.00 H new ATOM 0 HD12 LEU A 30 56.618 -13.763 -1.480 1.00 1.00 H new ATOM 0 HD13 LEU A 30 57.046 -15.274 -2.317 1.00 1.00 H new ATOM 0 HD21 LEU A 30 55.604 -14.651 -4.949 1.00 1.00 H new ATOM 0 HD22 LEU A 30 55.536 -16.201 -4.076 1.00 1.00 H new ATOM 0 HD23 LEU A 30 54.031 -15.349 -4.496 1.00 1.00 H new ATOM 427 N ILE A 31 53.190 -12.257 -1.391 1.00 1.00 N ATOM 428 CA ILE A 31 53.308 -10.987 -0.685 1.00 1.00 C ATOM 429 C ILE A 31 51.950 -10.543 -0.130 1.00 1.00 C ATOM 430 O ILE A 31 51.872 -10.043 0.993 1.00 1.00 O ATOM 431 CB ILE A 31 53.901 -9.919 -1.627 1.00 1.00 C ATOM 432 CG1 ILE A 31 55.352 -9.645 -1.221 1.00 1.00 C ATOM 433 CG2 ILE A 31 53.110 -8.603 -1.552 1.00 1.00 C ATOM 434 CD1 ILE A 31 56.159 -10.942 -1.291 1.00 1.00 C ATOM 0 H ILE A 31 53.181 -12.179 -2.408 1.00 1.00 H new ATOM 0 HA ILE A 31 53.982 -11.115 0.162 1.00 1.00 H new ATOM 0 HB ILE A 31 53.847 -10.297 -2.648 1.00 1.00 H new ATOM 0 HG12 ILE A 31 55.790 -8.897 -1.882 1.00 1.00 H new ATOM 0 HG13 ILE A 31 55.387 -9.238 -0.211 1.00 1.00 H new ATOM 0 HG21 ILE A 31 53.554 -7.872 -2.228 1.00 1.00 H new ATOM 0 HG22 ILE A 31 52.075 -8.784 -1.842 1.00 1.00 H new ATOM 0 HG23 ILE A 31 53.139 -8.219 -0.532 1.00 1.00 H new ATOM 0 HD11 ILE A 31 57.191 -10.744 -1.002 1.00 1.00 H new ATOM 0 HD12 ILE A 31 55.726 -11.677 -0.612 1.00 1.00 H new ATOM 0 HD13 ILE A 31 56.136 -11.331 -2.309 1.00 1.00 H new ATOM 446 N PRO A 32 50.889 -10.708 -0.882 1.00 1.00 N ATOM 447 CA PRO A 32 49.529 -10.307 -0.441 1.00 1.00 C ATOM 448 C PRO A 32 48.833 -11.409 0.355 1.00 1.00 C ATOM 449 O PRO A 32 47.605 -11.463 0.413 1.00 1.00 O ATOM 450 CB PRO A 32 48.803 -10.039 -1.758 1.00 1.00 C ATOM 451 CG PRO A 32 49.475 -10.905 -2.779 1.00 1.00 C ATOM 452 CD PRO A 32 50.858 -11.289 -2.232 1.00 1.00 C ATOM 0 HA PRO A 32 49.545 -9.448 0.230 1.00 1.00 H new ATOM 0 HB2 PRO A 32 47.743 -10.281 -1.677 1.00 1.00 H new ATOM 0 HB3 PRO A 32 48.869 -8.987 -2.034 1.00 1.00 H new ATOM 0 HG2 PRO A 32 48.880 -11.797 -2.974 1.00 1.00 H new ATOM 0 HG3 PRO A 32 49.573 -10.374 -3.726 1.00 1.00 H new ATOM 0 HD2 PRO A 32 50.988 -12.371 -2.202 1.00 1.00 H new ATOM 0 HD3 PRO A 32 51.657 -10.889 -2.856 1.00 1.00 H new ATOM 460 N ALA A 33 49.630 -12.281 0.966 1.00 1.00 N ATOM 461 CA ALA A 33 49.089 -13.380 1.759 1.00 1.00 C ATOM 462 C ALA A 33 49.735 -13.412 3.140 1.00 1.00 C ATOM 463 O ALA A 33 49.486 -14.320 3.933 1.00 1.00 O ATOM 464 CB ALA A 33 49.338 -14.711 1.046 1.00 1.00 C ATOM 0 H ALA A 33 50.649 -12.248 0.927 1.00 1.00 H new ATOM 0 HA ALA A 33 48.016 -13.226 1.875 1.00 1.00 H new ATOM 0 HB1 ALA A 33 48.931 -15.526 1.645 1.00 1.00 H new ATOM 0 HB2 ALA A 33 48.851 -14.698 0.071 1.00 1.00 H new ATOM 0 HB3 ALA A 33 50.410 -14.858 0.914 1.00 1.00 H new ATOM 470 N ILE A 34 50.565 -12.412 3.421 1.00 1.00 N ATOM 471 CA ILE A 34 51.242 -12.334 4.710 1.00 1.00 C ATOM 472 C ILE A 34 51.418 -10.880 5.135 1.00 1.00 C ATOM 473 O ILE A 34 50.984 -10.481 6.215 1.00 1.00 O ATOM 474 CB ILE A 34 52.610 -13.011 4.623 1.00 1.00 C ATOM 475 CG1 ILE A 34 52.943 -13.294 3.157 1.00 1.00 C ATOM 476 CG2 ILE A 34 52.579 -14.328 5.402 1.00 1.00 C ATOM 477 CD1 ILE A 34 54.367 -13.840 3.055 1.00 1.00 C ATOM 0 H ILE A 34 50.783 -11.650 2.779 1.00 1.00 H new ATOM 0 HA ILE A 34 50.630 -12.846 5.452 1.00 1.00 H new ATOM 0 HB ILE A 34 53.369 -12.355 5.050 1.00 1.00 H new ATOM 0 HG12 ILE A 34 52.236 -14.013 2.745 1.00 1.00 H new ATOM 0 HG13 ILE A 34 52.849 -12.381 2.569 1.00 1.00 H new ATOM 0 HG21 ILE A 34 53.554 -14.811 5.340 1.00 1.00 H new ATOM 0 HG22 ILE A 34 52.339 -14.128 6.446 1.00 1.00 H new ATOM 0 HG23 ILE A 34 51.821 -14.985 4.975 1.00 1.00 H new ATOM 0 HD11 ILE A 34 54.605 -14.042 2.011 1.00 1.00 H new ATOM 0 HD12 ILE A 34 55.068 -13.105 3.452 1.00 1.00 H new ATOM 0 HD13 ILE A 34 54.445 -14.763 3.630 1.00 1.00 H new ATOM 489 N TYR A 35 52.058 -10.091 4.277 1.00 1.00 N ATOM 490 CA TYR A 35 52.284 -8.681 4.572 1.00 1.00 C ATOM 491 C TYR A 35 50.957 -7.951 4.744 1.00 1.00 C ATOM 492 O TYR A 35 50.927 -6.751 5.016 1.00 1.00 O ATOM 493 CB TYR A 35 53.084 -8.032 3.441 1.00 1.00 C ATOM 494 CG TYR A 35 54.560 -8.210 3.700 1.00 1.00 C ATOM 495 CD1 TYR A 35 55.206 -9.384 3.295 1.00 1.00 C ATOM 496 CD2 TYR A 35 55.283 -7.200 4.345 1.00 1.00 C ATOM 497 CE1 TYR A 35 56.575 -9.549 3.535 1.00 1.00 C ATOM 498 CE2 TYR A 35 56.653 -7.365 4.586 1.00 1.00 C ATOM 499 CZ TYR A 35 57.299 -8.540 4.181 1.00 1.00 C ATOM 500 OH TYR A 35 58.649 -8.702 4.418 1.00 1.00 O ATOM 0 H TYR A 35 52.427 -10.402 3.378 1.00 1.00 H new ATOM 0 HA TYR A 35 52.848 -8.609 5.502 1.00 1.00 H new ATOM 0 HB2 TYR A 35 52.815 -8.483 2.486 1.00 1.00 H new ATOM 0 HB3 TYR A 35 52.842 -6.972 3.372 1.00 1.00 H new ATOM 0 HD1 TYR A 35 54.648 -10.163 2.797 1.00 1.00 H new ATOM 0 HD2 TYR A 35 54.785 -6.294 4.657 1.00 1.00 H new ATOM 0 HE1 TYR A 35 57.073 -10.455 3.222 1.00 1.00 H new ATOM 0 HE2 TYR A 35 57.211 -6.586 5.084 1.00 1.00 H new ATOM 0 HH TYR A 35 58.999 -7.908 4.874 1.00 1.00 H new ATOM 510 N MET A 36 49.859 -8.683 4.583 1.00 1.00 N ATOM 511 CA MET A 36 48.532 -8.094 4.721 1.00 1.00 C ATOM 512 C MET A 36 47.978 -8.344 6.121 1.00 1.00 C ATOM 513 O MET A 36 47.521 -7.418 6.791 1.00 1.00 O ATOM 514 CB MET A 36 47.585 -8.693 3.680 1.00 1.00 C ATOM 515 CG MET A 36 48.115 -8.397 2.276 1.00 1.00 C ATOM 516 SD MET A 36 47.632 -6.722 1.790 1.00 1.00 S ATOM 517 CE MET A 36 49.160 -6.291 0.922 1.00 1.00 C ATOM 0 H MET A 36 49.861 -9.678 4.358 1.00 1.00 H new ATOM 0 HA MET A 36 48.613 -7.019 4.562 1.00 1.00 H new ATOM 0 HB2 MET A 36 47.499 -9.769 3.828 1.00 1.00 H new ATOM 0 HB3 MET A 36 46.586 -8.274 3.799 1.00 1.00 H new ATOM 0 HG2 MET A 36 49.201 -8.494 2.258 1.00 1.00 H new ATOM 0 HG3 MET A 36 47.718 -9.122 1.565 1.00 1.00 H new ATOM 0 HE1 MET A 36 49.083 -5.277 0.531 1.00 1.00 H new ATOM 0 HE2 MET A 36 50.000 -6.350 1.614 1.00 1.00 H new ATOM 0 HE3 MET A 36 49.319 -6.986 0.098 1.00 1.00 H new ATOM 527 N LEU A 37 48.022 -9.599 6.554 1.00 1.00 N ATOM 528 CA LEU A 37 47.520 -9.958 7.875 1.00 1.00 C ATOM 529 C LEU A 37 48.536 -9.593 8.952 1.00 1.00 C ATOM 530 O LEU A 37 48.422 -10.024 10.100 1.00 1.00 O ATOM 531 CB LEU A 37 47.229 -11.459 7.933 1.00 1.00 C ATOM 532 CG LEU A 37 45.915 -11.753 7.209 1.00 1.00 C ATOM 533 CD1 LEU A 37 46.029 -11.319 5.747 1.00 1.00 C ATOM 534 CD2 LEU A 37 45.622 -13.253 7.273 1.00 1.00 C ATOM 0 H LEU A 37 48.397 -10.379 6.015 1.00 1.00 H new ATOM 0 HA LEU A 37 46.600 -9.402 8.056 1.00 1.00 H new ATOM 0 HB2 LEU A 37 48.044 -12.016 7.470 1.00 1.00 H new ATOM 0 HB3 LEU A 37 47.166 -11.788 8.970 1.00 1.00 H new ATOM 0 HG LEU A 37 45.106 -11.203 7.689 1.00 1.00 H new ATOM 0 HD11 LEU A 37 45.092 -11.529 5.231 1.00 1.00 H new ATOM 0 HD12 LEU A 37 46.238 -10.250 5.700 1.00 1.00 H new ATOM 0 HD13 LEU A 37 46.839 -11.868 5.266 1.00 1.00 H new ATOM 0 HD21 LEU A 37 44.685 -13.463 6.757 1.00 1.00 H new ATOM 0 HD22 LEU A 37 46.432 -13.803 6.793 1.00 1.00 H new ATOM 0 HD23 LEU A 37 45.540 -13.564 8.315 1.00 1.00 H new ATOM 546 N VAL A 38 49.531 -8.796 8.574 1.00 1.00 N ATOM 547 CA VAL A 38 50.562 -8.380 9.517 1.00 1.00 C ATOM 548 C VAL A 38 50.951 -6.924 9.278 1.00 1.00 C ATOM 549 O VAL A 38 50.564 -6.036 10.038 1.00 1.00 O ATOM 550 CB VAL A 38 51.796 -9.271 9.369 1.00 1.00 C ATOM 551 CG1 VAL A 38 52.755 -9.015 10.532 1.00 1.00 C ATOM 552 CG2 VAL A 38 51.367 -10.741 9.377 1.00 1.00 C ATOM 0 H VAL A 38 49.644 -8.428 7.629 1.00 1.00 H new ATOM 0 HA VAL A 38 50.164 -8.477 10.527 1.00 1.00 H new ATOM 0 HB VAL A 38 52.297 -9.042 8.429 1.00 1.00 H new ATOM 0 HG11 VAL A 38 53.634 -9.651 10.425 1.00 1.00 H new ATOM 0 HG12 VAL A 38 53.061 -7.969 10.528 1.00 1.00 H new ATOM 0 HG13 VAL A 38 52.255 -9.243 11.473 1.00 1.00 H new ATOM 0 HG21 VAL A 38 52.246 -11.377 9.272 1.00 1.00 H new ATOM 0 HG22 VAL A 38 50.865 -10.968 10.317 1.00 1.00 H new ATOM 0 HG23 VAL A 38 50.684 -10.925 8.548 1.00 1.00 H new ATOM 562 N PHE A 39 51.718 -6.688 8.220 1.00 1.00 N ATOM 563 CA PHE A 39 52.153 -5.335 7.891 1.00 1.00 C ATOM 564 C PHE A 39 50.981 -4.362 7.967 1.00 1.00 C ATOM 565 O PHE A 39 51.071 -3.316 8.611 1.00 1.00 O ATOM 566 CB PHE A 39 52.752 -5.307 6.485 1.00 1.00 C ATOM 567 CG PHE A 39 54.045 -4.527 6.503 1.00 1.00 C ATOM 568 CD1 PHE A 39 55.222 -5.134 6.956 1.00 1.00 C ATOM 569 CD2 PHE A 39 54.067 -3.197 6.065 1.00 1.00 C ATOM 570 CE1 PHE A 39 56.422 -4.411 6.971 1.00 1.00 C ATOM 571 CE2 PHE A 39 55.266 -2.474 6.081 1.00 1.00 C ATOM 572 CZ PHE A 39 56.443 -3.081 6.534 1.00 1.00 C ATOM 0 H PHE A 39 52.050 -7.409 7.580 1.00 1.00 H new ATOM 0 HA PHE A 39 52.910 -5.031 8.614 1.00 1.00 H new ATOM 0 HB2 PHE A 39 52.933 -6.323 6.135 1.00 1.00 H new ATOM 0 HB3 PHE A 39 52.049 -4.850 5.788 1.00 1.00 H new ATOM 0 HD1 PHE A 39 55.205 -6.160 7.294 1.00 1.00 H new ATOM 0 HD2 PHE A 39 53.159 -2.729 5.715 1.00 1.00 H new ATOM 0 HE1 PHE A 39 57.331 -4.879 7.320 1.00 1.00 H new ATOM 0 HE2 PHE A 39 55.283 -1.448 5.744 1.00 1.00 H new ATOM 0 HZ PHE A 39 57.368 -2.523 6.546 1.00 1.00 H new ATOM 582 N LEU A 40 49.883 -4.713 7.306 1.00 1.00 N ATOM 583 CA LEU A 40 48.699 -3.862 7.307 1.00 1.00 C ATOM 584 C LEU A 40 47.677 -4.364 8.322 1.00 1.00 C ATOM 585 O LEU A 40 46.497 -4.517 8.007 1.00 1.00 O ATOM 586 CB LEU A 40 48.068 -3.844 5.913 1.00 1.00 C ATOM 587 CG LEU A 40 48.903 -2.959 4.986 1.00 1.00 C ATOM 588 CD1 LEU A 40 48.799 -3.479 3.551 1.00 1.00 C ATOM 589 CD2 LEU A 40 48.380 -1.522 5.046 1.00 1.00 C ATOM 0 H LEU A 40 49.788 -5.574 6.767 1.00 1.00 H new ATOM 0 HA LEU A 40 49.002 -2.852 7.583 1.00 1.00 H new ATOM 0 HB2 LEU A 40 48.013 -4.857 5.514 1.00 1.00 H new ATOM 0 HB3 LEU A 40 47.047 -3.468 5.969 1.00 1.00 H new ATOM 0 HG LEU A 40 49.945 -2.981 5.305 1.00 1.00 H new ATOM 0 HD11 LEU A 40 49.394 -2.848 2.891 1.00 1.00 H new ATOM 0 HD12 LEU A 40 49.171 -4.503 3.507 1.00 1.00 H new ATOM 0 HD13 LEU A 40 47.757 -3.458 3.231 1.00 1.00 H new ATOM 0 HD21 LEU A 40 48.974 -0.891 4.386 1.00 1.00 H new ATOM 0 HD22 LEU A 40 47.338 -1.500 4.727 1.00 1.00 H new ATOM 0 HD23 LEU A 40 48.455 -1.150 6.068 1.00 1.00 H new ATOM 601 N LEU A 41 48.140 -4.620 9.541 1.00 1.00 N ATOM 602 CA LEU A 41 47.257 -5.105 10.596 1.00 1.00 C ATOM 603 C LEU A 41 48.014 -5.203 11.918 1.00 1.00 C ATOM 604 O LEU A 41 47.691 -4.509 12.882 1.00 1.00 O ATOM 605 CB LEU A 41 46.695 -6.480 10.210 1.00 1.00 C ATOM 606 CG LEU A 41 45.967 -7.115 11.402 1.00 1.00 C ATOM 607 CD1 LEU A 41 44.978 -6.115 12.004 1.00 1.00 C ATOM 608 CD2 LEU A 41 45.201 -8.351 10.922 1.00 1.00 C ATOM 0 H LEU A 41 49.113 -4.501 9.822 1.00 1.00 H new ATOM 0 HA LEU A 41 46.433 -4.402 10.718 1.00 1.00 H new ATOM 0 HB2 LEU A 41 46.008 -6.376 9.370 1.00 1.00 H new ATOM 0 HB3 LEU A 41 47.505 -7.132 9.881 1.00 1.00 H new ATOM 0 HG LEU A 41 46.698 -7.398 12.160 1.00 1.00 H new ATOM 0 HD11 LEU A 41 44.466 -6.574 12.849 1.00 1.00 H new ATOM 0 HD12 LEU A 41 45.516 -5.230 12.343 1.00 1.00 H new ATOM 0 HD13 LEU A 41 44.246 -5.828 11.249 1.00 1.00 H new ATOM 0 HD21 LEU A 41 44.681 -8.807 11.765 1.00 1.00 H new ATOM 0 HD22 LEU A 41 44.475 -8.057 10.164 1.00 1.00 H new ATOM 0 HD23 LEU A 41 45.901 -9.070 10.495 1.00 1.00 H new ATOM 620 N GLY A 42 49.022 -6.069 11.954 1.00 1.00 N ATOM 621 CA GLY A 42 49.818 -6.249 13.163 1.00 1.00 C ATOM 622 C GLY A 42 50.281 -4.907 13.716 1.00 1.00 C ATOM 623 O GLY A 42 50.767 -4.824 14.844 1.00 1.00 O ATOM 0 H GLY A 42 49.305 -6.653 11.167 1.00 1.00 H new ATOM 0 HA2 GLY A 42 49.229 -6.773 13.916 1.00 1.00 H new ATOM 0 HA3 GLY A 42 50.683 -6.874 12.943 1.00 1.00 H new ATOM 627 N THR A 43 50.129 -3.857 12.915 1.00 1.00 N ATOM 628 CA THR A 43 50.537 -2.522 13.336 1.00 1.00 C ATOM 629 C THR A 43 49.496 -1.488 12.920 1.00 1.00 C ATOM 630 O THR A 43 48.485 -1.303 13.599 1.00 1.00 O ATOM 631 CB THR A 43 51.889 -2.167 12.713 1.00 1.00 C ATOM 632 OG1 THR A 43 52.092 -0.764 12.793 1.00 1.00 O ATOM 633 CG2 THR A 43 51.908 -2.605 11.248 1.00 1.00 C ATOM 0 H THR A 43 49.729 -3.904 11.978 1.00 1.00 H new ATOM 0 HA THR A 43 50.626 -2.516 14.422 1.00 1.00 H new ATOM 0 HB THR A 43 52.684 -2.680 13.253 1.00 1.00 H new ATOM 0 HG1 THR A 43 52.958 -0.536 12.396 1.00 1.00 H new ATOM 0 HG21 THR A 43 52.871 -2.352 10.805 1.00 1.00 H new ATOM 0 HG22 THR A 43 51.753 -3.682 11.188 1.00 1.00 H new ATOM 0 HG23 THR A 43 51.113 -2.094 10.705 1.00 1.00 H new ATOM 641 N THR A 44 49.750 -0.815 11.803 1.00 1.00 N ATOM 642 CA THR A 44 48.828 0.199 11.306 1.00 1.00 C ATOM 643 C THR A 44 48.507 1.213 12.400 1.00 1.00 C ATOM 644 O THR A 44 47.623 2.054 12.241 1.00 1.00 O ATOM 645 CB THR A 44 47.534 -0.461 10.825 1.00 1.00 C ATOM 646 OG1 THR A 44 46.596 -0.491 11.892 1.00 1.00 O ATOM 647 CG2 THR A 44 47.828 -1.888 10.362 1.00 1.00 C ATOM 0 H THR A 44 50.581 -0.952 11.228 1.00 1.00 H new ATOM 0 HA THR A 44 49.303 0.717 10.473 1.00 1.00 H new ATOM 0 HB THR A 44 47.122 0.110 9.993 1.00 1.00 H new ATOM 0 HG1 THR A 44 46.995 -0.942 12.665 1.00 1.00 H new ATOM 0 HG21 THR A 44 46.905 -2.357 10.020 1.00 1.00 H new ATOM 0 HG22 THR A 44 48.548 -1.864 9.544 1.00 1.00 H new ATOM 0 HG23 THR A 44 48.240 -2.462 11.192 1.00 1.00 H new ATOM 655 N GLY A 45 49.232 1.127 13.510 1.00 1.00 N ATOM 656 CA GLY A 45 49.016 2.043 14.624 1.00 1.00 C ATOM 657 C GLY A 45 47.870 1.565 15.508 1.00 1.00 C ATOM 658 O GLY A 45 47.212 2.364 16.174 1.00 1.00 O ATOM 0 H GLY A 45 49.969 0.438 13.662 1.00 1.00 H new ATOM 0 HA2 GLY A 45 49.928 2.123 15.216 1.00 1.00 H new ATOM 0 HA3 GLY A 45 48.795 3.040 14.243 1.00 1.00 H new ATOM 662 N ASN A 46 47.636 0.255 15.508 1.00 1.00 N ATOM 663 CA ASN A 46 46.566 -0.323 16.314 1.00 1.00 C ATOM 664 C ASN A 46 47.058 -1.566 17.046 1.00 1.00 C ATOM 665 O ASN A 46 46.299 -2.215 17.766 1.00 1.00 O ATOM 666 CB ASN A 46 45.381 -0.692 15.418 1.00 1.00 C ATOM 667 CG ASN A 46 45.371 -2.195 15.161 1.00 1.00 C ATOM 668 OD1 ASN A 46 44.348 -2.852 15.355 1.00 1.00 O ATOM 669 ND2 ASN A 46 46.455 -2.781 14.732 1.00 1.00 N ATOM 0 H ASN A 46 48.169 -0.422 14.962 1.00 1.00 H new ATOM 0 HA ASN A 46 46.250 0.416 17.050 1.00 1.00 H new ATOM 0 HB2 ASN A 46 44.447 -0.389 15.892 1.00 1.00 H new ATOM 0 HB3 ASN A 46 45.447 -0.153 14.473 1.00 1.00 H new ATOM 0 HD21 ASN A 46 46.456 -3.786 14.557 1.00 1.00 H new ATOM 0 HD22 ASN A 46 47.301 -2.234 14.572 1.00 1.00 H new ATOM 676 N GLY A 47 48.334 -1.892 16.858 1.00 1.00 N ATOM 677 CA GLY A 47 48.919 -3.061 17.507 1.00 1.00 C ATOM 678 C GLY A 47 49.814 -2.646 18.670 1.00 1.00 C ATOM 679 O GLY A 47 50.453 -3.486 19.303 1.00 1.00 O ATOM 0 H GLY A 47 48.978 -1.368 16.266 1.00 1.00 H new ATOM 0 HA2 GLY A 47 48.126 -3.716 17.868 1.00 1.00 H new ATOM 0 HA3 GLY A 47 49.499 -3.632 16.782 1.00 1.00 H new ATOM 683 N LEU A 48 49.855 -1.346 18.944 1.00 1.00 N ATOM 684 CA LEU A 48 50.676 -0.830 20.032 1.00 1.00 C ATOM 685 C LEU A 48 49.915 0.228 20.824 1.00 1.00 C ATOM 686 O LEU A 48 50.453 0.830 21.753 1.00 1.00 O ATOM 687 CB LEU A 48 51.964 -0.223 19.473 1.00 1.00 C ATOM 688 CG LEU A 48 51.655 0.525 18.175 1.00 1.00 C ATOM 689 CD1 LEU A 48 52.526 1.779 18.089 1.00 1.00 C ATOM 690 CD2 LEU A 48 51.953 -0.384 16.981 1.00 1.00 C ATOM 0 H LEU A 48 49.333 -0.635 18.431 1.00 1.00 H new ATOM 0 HA LEU A 48 50.923 -1.657 20.697 1.00 1.00 H new ATOM 0 HB2 LEU A 48 52.404 0.458 20.202 1.00 1.00 H new ATOM 0 HB3 LEU A 48 52.697 -1.008 19.287 1.00 1.00 H new ATOM 0 HG LEU A 48 50.603 0.811 18.162 1.00 1.00 H new ATOM 0 HD11 LEU A 48 52.306 2.312 17.164 1.00 1.00 H new ATOM 0 HD12 LEU A 48 52.316 2.427 18.940 1.00 1.00 H new ATOM 0 HD13 LEU A 48 53.578 1.493 18.101 1.00 1.00 H new ATOM 0 HD21 LEU A 48 51.733 0.148 16.055 1.00 1.00 H new ATOM 0 HD22 LEU A 48 53.005 -0.669 16.995 1.00 1.00 H new ATOM 0 HD23 LEU A 48 51.333 -1.279 17.041 1.00 1.00 H new ATOM 702 N VAL A 49 48.659 0.450 20.449 1.00 1.00 N ATOM 703 CA VAL A 49 47.832 1.438 21.131 1.00 1.00 C ATOM 704 C VAL A 49 46.919 0.762 22.149 1.00 1.00 C ATOM 705 O VAL A 49 46.966 1.071 23.340 1.00 1.00 O ATOM 706 CB VAL A 49 46.985 2.202 20.112 1.00 1.00 C ATOM 707 CG1 VAL A 49 46.138 3.251 20.836 1.00 1.00 C ATOM 708 CG2 VAL A 49 47.905 2.899 19.107 1.00 1.00 C ATOM 0 H VAL A 49 48.195 -0.037 19.682 1.00 1.00 H new ATOM 0 HA VAL A 49 48.488 2.134 21.654 1.00 1.00 H new ATOM 0 HB VAL A 49 46.331 1.505 19.588 1.00 1.00 H new ATOM 0 HG11 VAL A 49 45.534 3.796 20.110 1.00 1.00 H new ATOM 0 HG12 VAL A 49 45.484 2.757 21.555 1.00 1.00 H new ATOM 0 HG13 VAL A 49 46.792 3.948 21.360 1.00 1.00 H new ATOM 0 HG21 VAL A 49 47.303 3.444 18.380 1.00 1.00 H new ATOM 0 HG22 VAL A 49 48.557 3.596 19.633 1.00 1.00 H new ATOM 0 HG23 VAL A 49 48.511 2.154 18.591 1.00 1.00 H new ATOM 718 N LEU A 50 46.092 -0.162 21.672 1.00 1.00 N ATOM 719 CA LEU A 50 45.172 -0.876 22.551 1.00 1.00 C ATOM 720 C LEU A 50 45.774 -2.209 22.985 1.00 1.00 C ATOM 721 O LEU A 50 45.553 -2.664 24.108 1.00 1.00 O ATOM 722 CB LEU A 50 43.845 -1.124 21.831 1.00 1.00 C ATOM 723 CG LEU A 50 44.095 -1.950 20.569 1.00 1.00 C ATOM 724 CD1 LEU A 50 43.651 -3.395 20.808 1.00 1.00 C ATOM 725 CD2 LEU A 50 43.295 -1.358 19.406 1.00 1.00 C ATOM 0 H LEU A 50 46.039 -0.433 20.690 1.00 1.00 H new ATOM 0 HA LEU A 50 44.995 -0.263 23.435 1.00 1.00 H new ATOM 0 HB2 LEU A 50 43.154 -1.649 22.491 1.00 1.00 H new ATOM 0 HB3 LEU A 50 43.378 -0.174 21.570 1.00 1.00 H new ATOM 0 HG LEU A 50 45.158 -1.931 20.328 1.00 1.00 H new ATOM 0 HD11 LEU A 50 43.829 -3.984 19.908 1.00 1.00 H new ATOM 0 HD12 LEU A 50 44.219 -3.818 21.637 1.00 1.00 H new ATOM 0 HD13 LEU A 50 42.588 -3.414 21.049 1.00 1.00 H new ATOM 0 HD21 LEU A 50 43.473 -1.946 18.506 1.00 1.00 H new ATOM 0 HD22 LEU A 50 42.232 -1.377 19.648 1.00 1.00 H new ATOM 0 HD23 LEU A 50 43.610 -0.329 19.235 1.00 1.00 H new ATOM 737 N TRP A 51 46.536 -2.829 22.090 1.00 1.00 N ATOM 738 CA TRP A 51 47.165 -4.109 22.392 1.00 1.00 C ATOM 739 C TRP A 51 48.010 -4.003 23.657 1.00 1.00 C ATOM 740 O TRP A 51 48.374 -5.013 24.260 1.00 1.00 O ATOM 741 CB TRP A 51 48.047 -4.547 21.221 1.00 1.00 C ATOM 742 CG TRP A 51 49.254 -5.256 21.745 1.00 1.00 C ATOM 743 CD1 TRP A 51 50.433 -4.663 22.043 1.00 1.00 C ATOM 744 CD2 TRP A 51 49.423 -6.674 22.034 1.00 1.00 C ATOM 745 NE1 TRP A 51 51.315 -5.627 22.499 1.00 1.00 N ATOM 746 CE2 TRP A 51 50.739 -6.883 22.512 1.00 1.00 C ATOM 747 CE3 TRP A 51 48.571 -7.788 21.930 1.00 1.00 C ATOM 748 CZ2 TRP A 51 51.193 -8.152 22.872 1.00 1.00 C ATOM 749 CZ3 TRP A 51 49.025 -9.067 22.293 1.00 1.00 C ATOM 750 CH2 TRP A 51 50.334 -9.248 22.763 1.00 1.00 C ATOM 0 H TRP A 51 46.732 -2.469 21.156 1.00 1.00 H new ATOM 0 HA TRP A 51 46.382 -4.850 22.552 1.00 1.00 H new ATOM 0 HB2 TRP A 51 47.487 -5.204 20.555 1.00 1.00 H new ATOM 0 HB3 TRP A 51 48.348 -3.679 20.634 1.00 1.00 H new ATOM 0 HD1 TRP A 51 50.650 -3.610 21.942 1.00 1.00 H new ATOM 0 HE1 TRP A 51 52.273 -5.434 22.790 1.00 1.00 H new ATOM 0 HE3 TRP A 51 47.561 -7.659 21.569 1.00 1.00 H new ATOM 0 HZ2 TRP A 51 52.202 -8.286 23.233 1.00 1.00 H new ATOM 0 HZ3 TRP A 51 48.362 -9.916 22.210 1.00 1.00 H new ATOM 0 HH2 TRP A 51 50.677 -10.234 23.040 1.00 1.00 H new ATOM 761 N THR A 52 48.319 -2.773 24.054 1.00 1.00 N ATOM 762 CA THR A 52 49.122 -2.546 25.250 1.00 1.00 C ATOM 763 C THR A 52 48.253 -2.624 26.501 1.00 1.00 C ATOM 764 O THR A 52 48.760 -2.785 27.612 1.00 1.00 O ATOM 765 CB THR A 52 49.791 -1.172 25.177 1.00 1.00 C ATOM 766 OG1 THR A 52 50.960 -1.172 25.984 1.00 1.00 O ATOM 767 CG2 THR A 52 48.822 -0.102 25.679 1.00 1.00 C ATOM 0 H THR A 52 48.028 -1.924 23.569 1.00 1.00 H new ATOM 0 HA THR A 52 49.887 -3.320 25.303 1.00 1.00 H new ATOM 0 HB THR A 52 50.063 -0.955 24.144 1.00 1.00 H new ATOM 0 HG1 THR A 52 51.390 -0.293 25.937 1.00 1.00 H new ATOM 0 HG21 THR A 52 49.301 0.876 25.626 1.00 1.00 H new ATOM 0 HG22 THR A 52 47.926 -0.102 25.058 1.00 1.00 H new ATOM 0 HG23 THR A 52 48.547 -0.316 26.712 1.00 1.00 H new ATOM 775 N VAL A 53 46.943 -2.508 26.312 1.00 1.00 N ATOM 776 CA VAL A 53 46.012 -2.567 27.434 1.00 1.00 C ATOM 777 C VAL A 53 46.113 -3.914 28.142 1.00 1.00 C ATOM 778 O VAL A 53 45.730 -4.044 29.305 1.00 1.00 O ATOM 779 CB VAL A 53 44.581 -2.356 26.938 1.00 1.00 C ATOM 780 CG1 VAL A 53 43.612 -2.446 28.118 1.00 1.00 C ATOM 781 CG2 VAL A 53 44.467 -0.974 26.290 1.00 1.00 C ATOM 0 H VAL A 53 46.504 -2.374 25.401 1.00 1.00 H new ATOM 0 HA VAL A 53 46.271 -1.777 28.139 1.00 1.00 H new ATOM 0 HB VAL A 53 44.333 -3.125 26.206 1.00 1.00 H new ATOM 0 HG11 VAL A 53 42.592 -2.295 27.764 1.00 1.00 H new ATOM 0 HG12 VAL A 53 43.694 -3.429 28.582 1.00 1.00 H new ATOM 0 HG13 VAL A 53 43.859 -1.678 28.851 1.00 1.00 H new ATOM 0 HG21 VAL A 53 43.448 -0.821 25.936 1.00 1.00 H new ATOM 0 HG22 VAL A 53 44.715 -0.207 27.023 1.00 1.00 H new ATOM 0 HG23 VAL A 53 45.157 -0.908 25.449 1.00 1.00 H new ATOM 791 N PHE A 54 46.632 -4.912 27.433 1.00 1.00 N ATOM 792 CA PHE A 54 46.781 -6.247 28.001 1.00 1.00 C ATOM 793 C PHE A 54 48.244 -6.530 28.325 1.00 1.00 C ATOM 794 O PHE A 54 48.633 -7.678 28.540 1.00 1.00 O ATOM 795 CB PHE A 54 46.264 -7.295 27.013 1.00 1.00 C ATOM 796 CG PHE A 54 45.011 -7.932 27.564 1.00 1.00 C ATOM 797 CD1 PHE A 54 43.799 -7.230 27.539 1.00 1.00 C ATOM 798 CD2 PHE A 54 45.060 -9.224 28.101 1.00 1.00 C ATOM 799 CE1 PHE A 54 42.637 -7.821 28.049 1.00 1.00 C ATOM 800 CE2 PHE A 54 43.898 -9.815 28.612 1.00 1.00 C ATOM 801 CZ PHE A 54 42.687 -9.113 28.586 1.00 1.00 C ATOM 0 H PHE A 54 46.955 -4.822 26.470 1.00 1.00 H new ATOM 0 HA PHE A 54 46.200 -6.297 28.922 1.00 1.00 H new ATOM 0 HB2 PHE A 54 46.055 -6.830 26.050 1.00 1.00 H new ATOM 0 HB3 PHE A 54 47.026 -8.055 26.841 1.00 1.00 H new ATOM 0 HD1 PHE A 54 43.761 -6.233 27.126 1.00 1.00 H new ATOM 0 HD2 PHE A 54 45.994 -9.765 28.121 1.00 1.00 H new ATOM 0 HE1 PHE A 54 41.702 -7.280 28.028 1.00 1.00 H new ATOM 0 HE2 PHE A 54 43.936 -10.812 29.026 1.00 1.00 H new ATOM 0 HZ PHE A 54 41.791 -9.568 28.980 1.00 1.00 H new ATOM 811 N ARG A 55 49.052 -5.474 28.356 1.00 1.00 N ATOM 812 CA ARG A 55 50.473 -5.620 28.654 1.00 1.00 C ATOM 813 C ARG A 55 50.764 -5.225 30.098 1.00 1.00 C ATOM 814 O ARG A 55 51.048 -6.078 30.939 1.00 1.00 O ATOM 815 CB ARG A 55 51.296 -4.745 27.708 1.00 1.00 C ATOM 816 CG ARG A 55 52.775 -5.117 27.824 1.00 1.00 C ATOM 817 CD ARG A 55 53.197 -5.928 26.600 1.00 1.00 C ATOM 818 NE ARG A 55 52.395 -7.143 26.499 1.00 1.00 N ATOM 819 CZ ARG A 55 52.815 -8.186 25.791 1.00 1.00 C ATOM 820 NH1 ARG A 55 53.962 -8.136 25.171 1.00 1.00 N ATOM 821 NH2 ARG A 55 52.079 -9.262 25.716 1.00 1.00 N ATOM 0 H ARG A 55 48.750 -4.516 28.180 1.00 1.00 H new ATOM 0 HA ARG A 55 50.748 -6.666 28.515 1.00 1.00 H new ATOM 0 HB2 ARG A 55 50.956 -4.881 26.682 1.00 1.00 H new ATOM 0 HB3 ARG A 55 51.155 -3.693 27.954 1.00 1.00 H new ATOM 0 HG2 ARG A 55 53.382 -4.215 27.902 1.00 1.00 H new ATOM 0 HG3 ARG A 55 52.945 -5.695 28.732 1.00 1.00 H new ATOM 0 HD2 ARG A 55 53.076 -5.328 25.698 1.00 1.00 H new ATOM 0 HD3 ARG A 55 54.254 -6.186 26.672 1.00 1.00 H new ATOM 0 HE ARG A 55 51.497 -7.192 26.980 1.00 1.00 H new ATOM 0 HH11 ARG A 55 54.537 -7.296 25.230 1.00 1.00 H new ATOM 0 HH12 ARG A 55 54.283 -8.937 24.628 1.00 1.00 H new ATOM 0 HH21 ARG A 55 51.182 -9.301 26.201 1.00 1.00 H new ATOM 0 HH22 ARG A 55 52.401 -10.063 25.173 1.00 1.00 H new ATOM 835 N LYS A 56 50.694 -3.927 30.378 1.00 1.00 N ATOM 836 CA LYS A 56 50.955 -3.433 31.726 1.00 1.00 C ATOM 837 C LYS A 56 50.219 -4.277 32.761 1.00 1.00 C ATOM 838 O LYS A 56 50.707 -4.475 33.873 1.00 1.00 O ATOM 839 CB LYS A 56 50.512 -1.974 31.845 1.00 1.00 C ATOM 840 CG LYS A 56 49.027 -1.858 31.499 1.00 1.00 C ATOM 841 CD LYS A 56 48.827 -0.721 30.496 1.00 1.00 C ATOM 842 CE LYS A 56 47.335 -0.418 30.357 1.00 1.00 C ATOM 843 NZ LYS A 56 46.554 -1.676 30.527 1.00 1.00 N ATOM 0 H LYS A 56 50.461 -3.204 29.697 1.00 1.00 H new ATOM 0 HA LYS A 56 52.026 -3.503 31.914 1.00 1.00 H new ATOM 0 HB2 LYS A 56 50.689 -1.611 32.858 1.00 1.00 H new ATOM 0 HB3 LYS A 56 51.102 -1.349 31.175 1.00 1.00 H new ATOM 0 HG2 LYS A 56 48.666 -2.797 31.078 1.00 1.00 H new ATOM 0 HG3 LYS A 56 48.446 -1.668 32.401 1.00 1.00 H new ATOM 0 HD2 LYS A 56 49.360 0.170 30.829 1.00 1.00 H new ATOM 0 HD3 LYS A 56 49.244 -0.999 29.528 1.00 1.00 H new ATOM 0 HE2 LYS A 56 47.031 0.315 31.104 1.00 1.00 H new ATOM 0 HE3 LYS A 56 47.131 0.020 29.380 1.00 1.00 H new ATOM 0 HZ1 LYS A 56 45.569 -1.515 30.235 1.00 1.00 H new ATOM 0 HZ2 LYS A 56 46.971 -2.426 29.940 1.00 1.00 H new ATOM 0 HZ3 LYS A 56 46.576 -1.966 31.526 1.00 1.00 H new ATOM 857 N LYS A 57 49.043 -4.771 32.388 1.00 1.00 N ATOM 858 CA LYS A 57 48.249 -5.594 33.296 1.00 1.00 C ATOM 859 C LYS A 57 49.023 -6.845 33.699 1.00 1.00 C ATOM 860 O LYS A 57 48.865 -7.353 34.810 1.00 1.00 O ATOM 861 CB LYS A 57 46.937 -5.997 32.622 1.00 1.00 C ATOM 862 CG LYS A 57 46.242 -4.752 32.067 1.00 1.00 C ATOM 863 CD LYS A 57 45.941 -3.780 33.210 1.00 1.00 C ATOM 864 CE LYS A 57 44.765 -2.882 32.820 1.00 1.00 C ATOM 865 NZ LYS A 57 44.927 -1.545 33.460 1.00 1.00 N ATOM 0 H LYS A 57 48.621 -4.618 31.472 1.00 1.00 H new ATOM 0 HA LYS A 57 48.032 -5.011 34.191 1.00 1.00 H new ATOM 0 HB2 LYS A 57 47.132 -6.706 31.817 1.00 1.00 H new ATOM 0 HB3 LYS A 57 46.287 -6.499 33.339 1.00 1.00 H new ATOM 0 HG2 LYS A 57 46.877 -4.270 31.324 1.00 1.00 H new ATOM 0 HG3 LYS A 57 45.318 -5.034 31.563 1.00 1.00 H new ATOM 0 HD2 LYS A 57 45.704 -4.333 34.119 1.00 1.00 H new ATOM 0 HD3 LYS A 57 46.820 -3.173 33.426 1.00 1.00 H new ATOM 0 HE2 LYS A 57 44.719 -2.775 31.736 1.00 1.00 H new ATOM 0 HE3 LYS A 57 43.826 -3.337 33.136 1.00 1.00 H new ATOM 0 HZ1 LYS A 57 44.137 -0.929 33.182 1.00 1.00 H new ATOM 0 HZ2 LYS A 57 44.934 -1.654 34.494 1.00 1.00 H new ATOM 0 HZ3 LYS A 57 45.824 -1.119 33.151 1.00 1.00 H new ATOM 879 N GLY A 58 49.857 -7.339 32.790 1.00 1.00 N ATOM 880 CA GLY A 58 50.650 -8.532 33.063 1.00 1.00 C ATOM 881 C GLY A 58 50.964 -9.284 31.774 1.00 1.00 C ATOM 882 O GLY A 58 50.140 -10.051 31.275 1.00 1.00 O ATOM 0 H GLY A 58 50.001 -6.935 31.864 1.00 1.00 H new ATOM 0 HA2 GLY A 58 51.578 -8.250 33.560 1.00 1.00 H new ATOM 0 HA3 GLY A 58 50.108 -9.185 33.747 1.00 1.00 H new ATOM 886 N HIS A 59 52.160 -9.059 31.241 1.00 1.00 N ATOM 887 CA HIS A 59 52.573 -9.721 30.009 1.00 1.00 C ATOM 888 C HIS A 59 52.539 -11.237 30.178 1.00 1.00 C ATOM 889 O HIS A 59 52.541 -11.981 29.197 1.00 1.00 O ATOM 890 CB HIS A 59 53.987 -9.280 29.627 1.00 1.00 C ATOM 891 CG HIS A 59 54.933 -10.439 29.782 1.00 1.00 C ATOM 892 ND1 HIS A 59 55.037 -11.441 28.831 1.00 1.00 N ATOM 893 CD2 HIS A 59 55.824 -10.769 30.773 1.00 1.00 C ATOM 894 CE1 HIS A 59 55.961 -12.319 29.264 1.00 1.00 C ATOM 895 NE2 HIS A 59 56.472 -11.956 30.444 1.00 1.00 N ATOM 0 H HIS A 59 52.856 -8.428 31.639 1.00 1.00 H new ATOM 0 HA HIS A 59 51.879 -9.439 29.217 1.00 1.00 H new ATOM 0 HB2 HIS A 59 54.002 -8.920 28.598 1.00 1.00 H new ATOM 0 HB3 HIS A 59 54.304 -8.451 30.259 1.00 1.00 H new ATOM 0 HD2 HIS A 59 55.996 -10.195 31.671 1.00 1.00 H new ATOM 0 HE1 HIS A 59 56.253 -13.207 28.724 1.00 1.00 H new ATOM 0 HE2 HIS A 59 57.184 -12.444 30.987 1.00 1.00 H new ATOM 903 N HIS A 60 52.506 -11.686 31.428 1.00 1.00 N ATOM 904 CA HIS A 60 52.472 -13.116 31.714 1.00 1.00 C ATOM 905 C HIS A 60 51.116 -13.706 31.338 1.00 1.00 C ATOM 906 O HIS A 60 50.934 -14.210 30.230 1.00 1.00 O ATOM 907 CB HIS A 60 52.740 -13.359 33.201 1.00 1.00 C ATOM 908 CG HIS A 60 54.121 -12.875 33.547 1.00 1.00 C ATOM 909 ND1 HIS A 60 55.337 -13.063 32.939 1.00 1.00 N flip ATOM 910 CD2 HIS A 60 54.371 -12.083 34.656 1.00 1.00 C flip ATOM 911 CE1 HIS A 60 56.328 -12.400 33.658 1.00 1.00 C flip ATOM 912 NE2 HIS A 60 55.691 -11.825 34.683 1.00 1.00 N flip ATOM 0 H HIS A 60 52.502 -11.086 32.253 1.00 1.00 H new ATOM 0 HA HIS A 60 53.246 -13.603 31.121 1.00 1.00 H new ATOM 0 HB2 HIS A 60 51.998 -12.837 33.805 1.00 1.00 H new ATOM 0 HB3 HIS A 60 52.647 -14.421 33.429 1.00 1.00 H new ATOM 0 HD1 HIS A 60 55.491 -13.606 32.089 1.00 1.00 H new ATOM 0 HD2 HIS A 60 53.639 -11.736 35.370 1.00 1.00 H new ATOM 0 HE1 HIS A 60 57.384 -12.359 33.435 1.00 1.00 H new ATOM 920 N HIS A 61 50.168 -13.639 32.267 1.00 1.00 N ATOM 921 CA HIS A 61 48.832 -14.170 32.022 1.00 1.00 C ATOM 922 C HIS A 61 47.908 -13.860 33.194 1.00 1.00 C ATOM 923 O HIS A 61 47.833 -14.623 34.157 1.00 1.00 O ATOM 924 CB HIS A 61 48.902 -15.683 31.810 1.00 1.00 C ATOM 925 CG HIS A 61 49.826 -16.290 32.829 1.00 1.00 C ATOM 926 ND1 HIS A 61 49.985 -15.751 34.097 1.00 1.00 N ATOM 927 CD2 HIS A 61 50.646 -17.390 32.785 1.00 1.00 C ATOM 928 CE1 HIS A 61 50.869 -16.519 34.757 1.00 1.00 C ATOM 929 NE2 HIS A 61 51.305 -17.532 34.003 1.00 1.00 N ATOM 0 H HIS A 61 50.298 -13.225 33.190 1.00 1.00 H new ATOM 0 HA HIS A 61 48.432 -13.696 31.125 1.00 1.00 H new ATOM 0 HB2 HIS A 61 47.907 -16.120 31.900 1.00 1.00 H new ATOM 0 HB3 HIS A 61 49.258 -15.904 30.804 1.00 1.00 H new ATOM 0 HD1 HIS A 61 49.516 -14.922 34.462 1.00 1.00 H new ATOM 0 HD2 HIS A 61 50.762 -18.046 31.935 1.00 1.00 H new ATOM 0 HE1 HIS A 61 51.188 -16.339 35.773 1.00 1.00 H new ATOM 937 N HIS A 62 47.206 -12.735 33.107 1.00 1.00 N ATOM 938 CA HIS A 62 46.290 -12.334 34.168 1.00 1.00 C ATOM 939 C HIS A 62 46.907 -12.593 35.538 1.00 1.00 C ATOM 940 O HIS A 62 46.196 -12.711 36.537 1.00 1.00 O ATOM 941 CB HIS A 62 44.976 -13.107 34.042 1.00 1.00 C ATOM 942 CG HIS A 62 45.154 -14.492 34.601 1.00 1.00 C ATOM 943 ND1 HIS A 62 45.040 -14.762 35.956 1.00 1.00 N ATOM 944 CD2 HIS A 62 45.437 -15.694 34.002 1.00 1.00 C ATOM 945 CE1 HIS A 62 45.252 -16.080 36.127 1.00 1.00 C ATOM 946 NE2 HIS A 62 45.499 -16.695 34.967 1.00 1.00 N ATOM 0 H HIS A 62 47.253 -12.089 32.319 1.00 1.00 H new ATOM 0 HA HIS A 62 46.095 -11.266 34.069 1.00 1.00 H new ATOM 0 HB2 HIS A 62 44.182 -12.586 34.578 1.00 1.00 H new ATOM 0 HB3 HIS A 62 44.672 -13.161 32.997 1.00 1.00 H new ATOM 0 HD1 HIS A 62 44.833 -14.085 36.690 1.00 1.00 H new ATOM 0 HD2 HIS A 62 45.589 -15.841 32.943 1.00 1.00 H new ATOM 0 HE1 HIS A 62 45.226 -16.579 37.084 1.00 1.00 H new ATOM 954 N HIS A 63 48.232 -12.682 35.578 1.00 1.00 N ATOM 955 CA HIS A 63 48.934 -12.928 36.832 1.00 1.00 C ATOM 956 C HIS A 63 48.856 -11.704 37.739 1.00 1.00 C ATOM 957 O HIS A 63 49.868 -11.060 38.017 1.00 1.00 O ATOM 958 CB HIS A 63 50.400 -13.267 36.553 1.00 1.00 C ATOM 959 CG HIS A 63 50.988 -13.969 37.744 1.00 1.00 C ATOM 960 ND1 HIS A 63 52.194 -14.651 37.680 1.00 1.00 N ATOM 961 CD2 HIS A 63 50.550 -14.106 39.038 1.00 1.00 C ATOM 962 CE1 HIS A 63 52.437 -15.162 38.900 1.00 1.00 C ATOM 963 NE2 HIS A 63 51.466 -14.859 39.766 1.00 1.00 N ATOM 0 H HIS A 63 48.838 -12.588 34.763 1.00 1.00 H new ATOM 0 HA HIS A 63 48.457 -13.769 37.335 1.00 1.00 H new ATOM 0 HB2 HIS A 63 50.476 -13.901 35.670 1.00 1.00 H new ATOM 0 HB3 HIS A 63 50.961 -12.357 36.341 1.00 1.00 H new ATOM 0 HD2 HIS A 63 49.633 -13.692 39.431 1.00 1.00 H new ATOM 0 HE1 HIS A 63 53.311 -15.746 39.149 1.00 1.00 H new ATOM 0 HE2 HIS A 63 51.408 -15.123 40.750 1.00 1.00 H new ATOM 971 N HIS A 64 47.649 -11.390 38.198 1.00 1.00 N ATOM 972 CA HIS A 64 47.452 -10.240 39.074 1.00 1.00 C ATOM 973 C HIS A 64 47.616 -10.645 40.535 1.00 1.00 C ATOM 974 O HIS A 64 47.745 -9.759 41.364 1.00 1.00 O ATOM 975 CB HIS A 64 46.055 -9.653 38.859 1.00 1.00 C ATOM 976 CG HIS A 64 46.053 -8.809 37.614 1.00 1.00 C ATOM 977 ND1 HIS A 64 45.532 -7.525 37.595 1.00 1.00 N ATOM 978 CD2 HIS A 64 46.502 -9.051 36.340 1.00 1.00 C ATOM 979 CE1 HIS A 64 45.680 -7.046 36.345 1.00 1.00 C ATOM 980 NE2 HIS A 64 46.266 -7.936 35.540 1.00 1.00 N ATOM 981 OXT HIS A 64 47.610 -11.835 40.804 1.00 1.00 O ATOM 0 H HIS A 64 46.799 -11.910 37.981 1.00 1.00 H new ATOM 0 HA HIS A 64 48.203 -9.489 38.831 1.00 1.00 H new ATOM 0 HB2 HIS A 64 45.322 -10.455 38.769 1.00 1.00 H new ATOM 0 HB3 HIS A 64 45.765 -9.051 39.720 1.00 1.00 H new ATOM 0 HD1 HIS A 64 45.113 -7.033 38.384 1.00 1.00 H new ATOM 0 HD2 HIS A 64 46.968 -9.967 36.008 1.00 1.00 H new ATOM 0 HE1 HIS A 64 45.363 -6.062 36.032 1.00 1.00 H new TER 989 HIS A 64