USER MOD reduce.3.24.130724 H: found=0, std=0, add=478, rem=0, adj=17 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 163:sc= 0.00643 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= 0 K(o=0,f=-1) 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= -0.701 X(o=-0.7,f=-0.44) USER MOD Single : A 16 GLN : amide:sc= -11! C(o=-11!,f=-13!) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 CYS SG : rot 21:sc= 0.749 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.299 USER MOD Single : A 25 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0895) USER MOD Single : A 26 SER OG : rot 41:sc= 1.05 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl 146:sc= -0.287 (180deg=-0.46) USER MOD Single : A 43 THR OG1 : rot 105:sc= 0.0188 USER MOD Single : A 44 THR OG1 : rot -49:sc= -6.06! USER MOD Single : A 46 ASN :FLIP amide:sc= -2.73 F(o=-5.1!,f=-2.7) USER MOD Single : A 52 THR OG1 : rot 20:sc= 0.859 USER MOD Single : A 56 LYS NZ :NH3+ 176:sc= -1.08 (180deg=-1.33) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 HIS : no HD1:sc= -0.0676 X(o=-0.068,f=-0.0052) USER MOD Single : A 60 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 61 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 62 HIS : no HD1:sc= -0.226 X(o=-0.23,f=-0.39) USER MOD Single : A 63 HIS : no HD1:sc= -1.25! C(o=-1.3!,f=-7.5!) USER MOD Single : A 64 HIS : no HD1:sc= -0.0617 X(o=-0.062,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.063 9.800 24.604 1.00 1.00 N ATOM 2 CA MET A 1 -2.174 8.762 25.197 1.00 1.00 C ATOM 3 C MET A 1 -1.291 8.168 24.105 1.00 1.00 C ATOM 4 O MET A 1 -1.687 8.100 22.942 1.00 1.00 O ATOM 5 CB MET A 1 -3.030 7.663 25.831 1.00 1.00 C ATOM 6 CG MET A 1 -2.533 7.383 27.251 1.00 1.00 C ATOM 7 SD MET A 1 -3.369 5.917 27.904 1.00 1.00 S ATOM 8 CE MET A 1 -1.969 5.255 28.839 1.00 1.00 C ATOM 0 H1 MET A 1 -3.848 9.999 25.257 1.00 1.00 H new ATOM 0 H2 MET A 1 -2.519 10.671 24.441 1.00 1.00 H new ATOM 0 H3 MET A 1 -3.444 9.455 23.700 1.00 1.00 H new ATOM 0 HA MET A 1 -1.542 9.212 25.963 1.00 1.00 H new ATOM 0 HB2 MET A 1 -4.076 7.970 25.854 1.00 1.00 H new ATOM 0 HB3 MET A 1 -2.978 6.755 25.230 1.00 1.00 H new ATOM 0 HG2 MET A 1 -1.454 7.228 27.246 1.00 1.00 H new ATOM 0 HG3 MET A 1 -2.729 8.242 27.892 1.00 1.00 H new ATOM 0 HE1 MET A 1 -2.266 4.330 29.334 1.00 1.00 H new ATOM 0 HE2 MET A 1 -1.141 5.053 28.160 1.00 1.00 H new ATOM 0 HE3 MET A 1 -1.655 5.982 29.588 1.00 1.00 H new ATOM 20 N GLU A 2 -0.092 7.740 24.488 1.00 1.00 N ATOM 21 CA GLU A 2 0.840 7.154 23.531 1.00 1.00 C ATOM 22 C GLU A 2 0.256 5.881 22.926 1.00 1.00 C ATOM 23 O GLU A 2 0.683 4.773 23.255 1.00 1.00 O ATOM 24 CB GLU A 2 2.165 6.831 24.224 1.00 1.00 C ATOM 25 CG GLU A 2 2.923 8.129 24.507 1.00 1.00 C ATOM 26 CD GLU A 2 4.198 7.829 25.289 1.00 1.00 C ATOM 27 OE1 GLU A 2 4.602 6.678 25.305 1.00 1.00 O ATOM 28 OE2 GLU A 2 4.750 8.755 25.860 1.00 1.00 O ATOM 0 H GLU A 2 0.255 7.787 25.446 1.00 1.00 H new ATOM 0 HA GLU A 2 1.014 7.875 22.733 1.00 1.00 H new ATOM 0 HB2 GLU A 2 1.979 6.295 25.155 1.00 1.00 H new ATOM 0 HB3 GLU A 2 2.767 6.176 23.594 1.00 1.00 H new ATOM 0 HG2 GLU A 2 3.170 8.627 23.570 1.00 1.00 H new ATOM 0 HG3 GLU A 2 2.291 8.813 25.074 1.00 1.00 H new ATOM 35 N GLU A 3 -0.720 6.046 22.040 1.00 1.00 N ATOM 36 CA GLU A 3 -1.356 4.903 21.396 1.00 1.00 C ATOM 37 C GLU A 3 -0.710 4.624 20.042 1.00 1.00 C ATOM 38 O GLU A 3 -1.335 4.803 18.997 1.00 1.00 O ATOM 39 CB GLU A 3 -2.849 5.173 21.206 1.00 1.00 C ATOM 40 CG GLU A 3 -3.585 3.849 20.990 1.00 1.00 C ATOM 41 CD GLU A 3 -5.043 4.115 20.635 1.00 1.00 C ATOM 42 OE1 GLU A 3 -5.834 4.281 21.551 1.00 1.00 O ATOM 43 OE2 GLU A 3 -5.350 4.148 19.456 1.00 1.00 O ATOM 0 H GLU A 3 -1.086 6.954 21.753 1.00 1.00 H new ATOM 0 HA GLU A 3 -1.225 4.030 22.036 1.00 1.00 H new ATOM 0 HB2 GLU A 3 -3.251 5.686 22.080 1.00 1.00 H new ATOM 0 HB3 GLU A 3 -3.004 5.831 20.351 1.00 1.00 H new ATOM 0 HG2 GLU A 3 -3.105 3.283 20.192 1.00 1.00 H new ATOM 0 HG3 GLU A 3 -3.527 3.240 21.892 1.00 1.00 H new ATOM 50 N GLY A 4 0.544 4.186 20.069 1.00 1.00 N ATOM 51 CA GLY A 4 1.264 3.885 18.837 1.00 1.00 C ATOM 52 C GLY A 4 2.739 4.251 18.966 1.00 1.00 C ATOM 53 O GLY A 4 3.612 3.520 18.498 1.00 1.00 O ATOM 0 H GLY A 4 1.080 4.032 20.923 1.00 1.00 H new ATOM 0 HA2 GLY A 4 1.167 2.825 18.604 1.00 1.00 H new ATOM 0 HA3 GLY A 4 0.820 4.435 18.008 1.00 1.00 H new ATOM 57 N GLY A 5 3.010 5.385 19.602 1.00 1.00 N ATOM 58 CA GLY A 5 4.383 5.838 19.787 1.00 1.00 C ATOM 59 C GLY A 5 5.200 5.630 18.516 1.00 1.00 C ATOM 60 O GLY A 5 4.970 6.291 17.503 1.00 1.00 O ATOM 0 H GLY A 5 2.302 6.004 19.996 1.00 1.00 H new ATOM 0 HA2 GLY A 5 4.389 6.893 20.059 1.00 1.00 H new ATOM 0 HA3 GLY A 5 4.842 5.294 20.612 1.00 1.00 H new ATOM 64 N ASP A 6 6.156 4.708 18.577 1.00 1.00 N ATOM 65 CA ASP A 6 7.002 4.422 17.424 1.00 1.00 C ATOM 66 C ASP A 6 7.447 5.716 16.751 1.00 1.00 C ATOM 67 O ASP A 6 6.765 6.233 15.866 1.00 1.00 O ATOM 68 CB ASP A 6 6.238 3.558 16.418 1.00 1.00 C ATOM 69 CG ASP A 6 7.207 2.960 15.404 1.00 1.00 C ATOM 70 OD1 ASP A 6 7.812 3.725 14.671 1.00 1.00 O ATOM 71 OD2 ASP A 6 7.328 1.747 15.374 1.00 1.00 O ATOM 0 H ASP A 6 6.363 4.150 19.406 1.00 1.00 H new ATOM 0 HA ASP A 6 7.885 3.884 17.769 1.00 1.00 H new ATOM 0 HB2 ASP A 6 5.707 2.762 16.939 1.00 1.00 H new ATOM 0 HB3 ASP A 6 5.487 4.160 15.905 1.00 1.00 H new ATOM 76 N PHE A 7 8.594 6.234 17.178 1.00 1.00 N ATOM 77 CA PHE A 7 9.121 7.470 16.609 1.00 1.00 C ATOM 78 C PHE A 7 9.938 7.177 15.355 1.00 1.00 C ATOM 79 O PHE A 7 10.742 6.245 15.330 1.00 1.00 O ATOM 80 CB PHE A 7 10.000 8.184 17.638 1.00 1.00 C ATOM 81 CG PHE A 7 9.165 9.176 18.411 1.00 1.00 C ATOM 82 CD1 PHE A 7 8.789 10.387 17.818 1.00 1.00 C ATOM 83 CD2 PHE A 7 8.767 8.885 19.722 1.00 1.00 C ATOM 84 CE1 PHE A 7 8.014 11.307 18.535 1.00 1.00 C ATOM 85 CE2 PHE A 7 7.993 9.804 20.439 1.00 1.00 C ATOM 86 CZ PHE A 7 7.616 11.016 19.846 1.00 1.00 C ATOM 0 H PHE A 7 9.173 5.822 17.910 1.00 1.00 H new ATOM 0 HA PHE A 7 8.282 8.111 16.340 1.00 1.00 H new ATOM 0 HB2 PHE A 7 10.444 7.458 18.319 1.00 1.00 H new ATOM 0 HB3 PHE A 7 10.822 8.696 17.137 1.00 1.00 H new ATOM 0 HD1 PHE A 7 9.097 10.612 16.807 1.00 1.00 H new ATOM 0 HD2 PHE A 7 9.058 7.951 20.180 1.00 1.00 H new ATOM 0 HE1 PHE A 7 7.723 12.241 18.077 1.00 1.00 H new ATOM 0 HE2 PHE A 7 7.686 9.579 21.450 1.00 1.00 H new ATOM 0 HZ PHE A 7 7.019 11.726 20.399 1.00 1.00 H new ATOM 96 N ASP A 8 9.725 7.977 14.316 1.00 1.00 N ATOM 97 CA ASP A 8 10.447 7.794 13.063 1.00 1.00 C ATOM 98 C ASP A 8 10.518 9.106 12.288 1.00 1.00 C ATOM 99 O ASP A 8 10.247 9.146 11.088 1.00 1.00 O ATOM 100 CB ASP A 8 9.750 6.733 12.208 1.00 1.00 C ATOM 101 CG ASP A 8 10.737 6.137 11.210 1.00 1.00 C ATOM 102 OD1 ASP A 8 11.595 6.869 10.745 1.00 1.00 O ATOM 103 OD2 ASP A 8 10.620 4.956 10.925 1.00 1.00 O ATOM 0 H ASP A 8 9.063 8.753 14.316 1.00 1.00 H new ATOM 0 HA ASP A 8 11.460 7.466 13.295 1.00 1.00 H new ATOM 0 HB2 ASP A 8 9.346 5.947 12.846 1.00 1.00 H new ATOM 0 HB3 ASP A 8 8.907 7.177 11.678 1.00 1.00 H new ATOM 108 N ASN A 9 10.885 10.179 12.983 1.00 1.00 N ATOM 109 CA ASN A 9 10.989 11.488 12.350 1.00 1.00 C ATOM 110 C ASN A 9 12.180 12.261 12.909 1.00 1.00 C ATOM 111 O ASN A 9 12.077 13.453 13.199 1.00 1.00 O ATOM 112 CB ASN A 9 9.705 12.285 12.586 1.00 1.00 C ATOM 113 CG ASN A 9 9.467 13.247 11.427 1.00 1.00 C ATOM 114 OD1 ASN A 9 10.419 13.798 10.871 1.00 1.00 O ATOM 115 ND2 ASN A 9 8.249 13.484 11.026 1.00 1.00 N ATOM 0 H ASN A 9 11.114 10.168 13.977 1.00 1.00 H new ATOM 0 HA ASN A 9 11.135 11.343 11.280 1.00 1.00 H new ATOM 0 HB2 ASN A 9 8.859 11.605 12.685 1.00 1.00 H new ATOM 0 HB3 ASN A 9 9.779 12.840 13.521 1.00 1.00 H new ATOM 0 HD21 ASN A 9 8.083 14.126 10.251 1.00 1.00 H new ATOM 0 HD22 ASN A 9 7.462 13.027 11.487 1.00 1.00 H new ATOM 122 N TYR A 10 13.307 11.574 13.059 1.00 1.00 N ATOM 123 CA TYR A 10 14.511 12.206 13.586 1.00 1.00 C ATOM 124 C TYR A 10 14.922 13.387 12.712 1.00 1.00 C ATOM 125 O TYR A 10 15.811 13.269 11.869 1.00 1.00 O ATOM 126 CB TYR A 10 15.653 11.189 13.643 1.00 1.00 C ATOM 127 CG TYR A 10 15.309 10.101 14.630 1.00 1.00 C ATOM 128 CD1 TYR A 10 15.622 10.262 15.986 1.00 1.00 C ATOM 129 CD2 TYR A 10 14.678 8.931 14.193 1.00 1.00 C ATOM 130 CE1 TYR A 10 15.303 9.253 16.903 1.00 1.00 C ATOM 131 CE2 TYR A 10 14.359 7.922 15.109 1.00 1.00 C ATOM 132 CZ TYR A 10 14.671 8.083 16.464 1.00 1.00 C ATOM 133 OH TYR A 10 14.357 7.089 17.368 1.00 1.00 O ATOM 0 H TYR A 10 13.412 10.587 12.825 1.00 1.00 H new ATOM 0 HA TYR A 10 14.298 12.569 14.591 1.00 1.00 H new ATOM 0 HB2 TYR A 10 15.821 10.759 12.656 1.00 1.00 H new ATOM 0 HB3 TYR A 10 16.579 11.682 13.938 1.00 1.00 H new ATOM 0 HD1 TYR A 10 16.109 11.164 16.324 1.00 1.00 H new ATOM 0 HD2 TYR A 10 14.437 8.806 13.148 1.00 1.00 H new ATOM 0 HE1 TYR A 10 15.544 9.377 17.948 1.00 1.00 H new ATOM 0 HE2 TYR A 10 13.872 7.019 14.770 1.00 1.00 H new ATOM 0 HH TYR A 10 13.922 6.346 16.900 1.00 1.00 H new ATOM 143 N TYR A 11 14.267 14.526 12.918 1.00 1.00 N ATOM 144 CA TYR A 11 14.574 15.723 12.143 1.00 1.00 C ATOM 145 C TYR A 11 16.041 16.106 12.305 1.00 1.00 C ATOM 146 O TYR A 11 16.724 15.619 13.206 1.00 1.00 O ATOM 147 CB TYR A 11 13.688 16.882 12.603 1.00 1.00 C ATOM 148 CG TYR A 11 14.375 17.630 13.721 1.00 1.00 C ATOM 149 CD1 TYR A 11 14.892 16.928 14.817 1.00 1.00 C ATOM 150 CD2 TYR A 11 14.496 19.023 13.663 1.00 1.00 C ATOM 151 CE1 TYR A 11 15.528 17.620 15.854 1.00 1.00 C ATOM 152 CE2 TYR A 11 15.132 19.715 14.699 1.00 1.00 C ATOM 153 CZ TYR A 11 15.649 19.013 15.795 1.00 1.00 C ATOM 154 OH TYR A 11 16.277 19.695 16.817 1.00 1.00 O ATOM 0 H TYR A 11 13.526 14.645 13.609 1.00 1.00 H new ATOM 0 HA TYR A 11 14.381 15.512 11.091 1.00 1.00 H new ATOM 0 HB2 TYR A 11 13.490 17.555 11.769 1.00 1.00 H new ATOM 0 HB3 TYR A 11 12.724 16.504 12.943 1.00 1.00 H new ATOM 0 HD1 TYR A 11 14.800 15.853 14.862 1.00 1.00 H new ATOM 0 HD2 TYR A 11 14.098 19.564 12.817 1.00 1.00 H new ATOM 0 HE1 TYR A 11 15.925 17.079 16.700 1.00 1.00 H new ATOM 0 HE2 TYR A 11 15.224 20.790 14.654 1.00 1.00 H new ATOM 0 HH TYR A 11 16.276 20.655 16.619 1.00 1.00 H new ATOM 164 N GLY A 12 16.519 16.982 11.427 1.00 1.00 N ATOM 165 CA GLY A 12 17.908 17.423 11.483 1.00 1.00 C ATOM 166 C GLY A 12 18.039 18.866 11.007 1.00 1.00 C ATOM 167 O GLY A 12 17.341 19.756 11.494 1.00 1.00 O ATOM 0 H GLY A 12 15.970 17.398 10.674 1.00 1.00 H new ATOM 0 HA2 GLY A 12 18.280 17.337 12.504 1.00 1.00 H new ATOM 0 HA3 GLY A 12 18.526 16.773 10.863 1.00 1.00 H new ATOM 171 N ALA A 13 18.938 19.091 10.055 1.00 1.00 N ATOM 172 CA ALA A 13 19.153 20.432 9.522 1.00 1.00 C ATOM 173 C ALA A 13 20.000 20.374 8.254 1.00 1.00 C ATOM 174 O ALA A 13 20.889 21.200 8.052 1.00 1.00 O ATOM 175 CB ALA A 13 19.852 21.303 10.566 1.00 1.00 C ATOM 0 H ALA A 13 19.526 18.369 9.639 1.00 1.00 H new ATOM 0 HA ALA A 13 18.183 20.866 9.278 1.00 1.00 H new ATOM 0 HB1 ALA A 13 20.009 22.302 10.160 1.00 1.00 H new ATOM 0 HB2 ALA A 13 19.232 21.368 11.460 1.00 1.00 H new ATOM 0 HB3 ALA A 13 20.814 20.861 10.823 1.00 1.00 H new ATOM 181 N ASP A 14 19.715 19.392 7.404 1.00 1.00 N ATOM 182 CA ASP A 14 20.457 19.235 6.158 1.00 1.00 C ATOM 183 C ASP A 14 21.949 19.447 6.391 1.00 1.00 C ATOM 184 O ASP A 14 22.631 20.074 5.580 1.00 1.00 O ATOM 185 CB ASP A 14 19.953 20.239 5.120 1.00 1.00 C ATOM 186 CG ASP A 14 18.472 20.526 5.348 1.00 1.00 C ATOM 187 OD1 ASP A 14 17.796 19.660 5.879 1.00 1.00 O ATOM 188 OD2 ASP A 14 18.037 21.608 4.990 1.00 1.00 O ATOM 0 H ASP A 14 18.982 18.699 7.553 1.00 1.00 H new ATOM 0 HA ASP A 14 20.300 18.221 5.789 1.00 1.00 H new ATOM 0 HB2 ASP A 14 20.526 21.164 5.188 1.00 1.00 H new ATOM 0 HB3 ASP A 14 20.105 19.844 4.116 1.00 1.00 H new ATOM 193 N ASN A 15 22.450 18.919 7.503 1.00 1.00 N ATOM 194 CA ASN A 15 23.863 19.056 7.832 1.00 1.00 C ATOM 195 C ASN A 15 24.356 17.827 8.590 1.00 1.00 C ATOM 196 O ASN A 15 24.944 16.925 7.996 1.00 1.00 O ATOM 197 CB ASN A 15 24.082 20.306 8.686 1.00 1.00 C ATOM 198 CG ASN A 15 24.080 21.548 7.800 1.00 1.00 C ATOM 199 OD1 ASN A 15 24.851 21.630 6.844 1.00 1.00 O ATOM 200 ND2 ASN A 15 23.255 22.524 8.062 1.00 1.00 N ATOM 0 H ASN A 15 21.903 18.396 8.187 1.00 1.00 H new ATOM 0 HA ASN A 15 24.427 19.148 6.904 1.00 1.00 H new ATOM 0 HB2 ASN A 15 23.298 20.385 9.439 1.00 1.00 H new ATOM 0 HB3 ASN A 15 25.030 20.231 9.220 1.00 1.00 H new ATOM 0 HD21 ASN A 15 23.248 23.357 7.474 1.00 1.00 H new ATOM 0 HD22 ASN A 15 22.617 22.454 8.855 1.00 1.00 H new ATOM 207 N GLN A 16 24.101 17.812 9.901 1.00 1.00 N ATOM 208 CA GLN A 16 24.507 16.703 10.768 1.00 1.00 C ATOM 209 C GLN A 16 25.740 15.986 10.226 1.00 1.00 C ATOM 210 O GLN A 16 25.776 14.758 10.155 1.00 1.00 O ATOM 211 CB GLN A 16 23.357 15.705 10.919 1.00 1.00 C ATOM 212 CG GLN A 16 22.821 15.311 9.540 1.00 1.00 C ATOM 213 CD GLN A 16 21.898 16.401 9.004 1.00 1.00 C ATOM 214 OE1 GLN A 16 21.292 17.140 9.780 1.00 1.00 O ATOM 215 NE2 GLN A 16 21.755 16.545 7.715 1.00 1.00 N ATOM 0 H GLN A 16 23.611 18.562 10.388 1.00 1.00 H new ATOM 0 HA GLN A 16 24.760 17.122 11.742 1.00 1.00 H new ATOM 0 HB2 GLN A 16 23.702 14.818 11.451 1.00 1.00 H new ATOM 0 HB3 GLN A 16 22.559 16.145 11.516 1.00 1.00 H new ATOM 0 HG2 GLN A 16 23.650 15.155 8.850 1.00 1.00 H new ATOM 0 HG3 GLN A 16 22.280 14.367 9.608 1.00 1.00 H new ATOM 0 HE21 GLN A 16 22.258 15.931 7.074 1.00 1.00 H new ATOM 0 HE22 GLN A 16 21.140 17.271 7.348 1.00 1.00 H new ATOM 224 N SER A 17 26.746 16.764 9.846 1.00 1.00 N ATOM 225 CA SER A 17 27.979 16.196 9.312 1.00 1.00 C ATOM 226 C SER A 17 28.397 14.969 10.116 1.00 1.00 C ATOM 227 O SER A 17 28.089 14.859 11.302 1.00 1.00 O ATOM 228 CB SER A 17 29.095 17.241 9.354 1.00 1.00 C ATOM 229 OG SER A 17 28.900 18.178 8.304 1.00 1.00 O ATOM 0 H SER A 17 26.734 17.783 9.897 1.00 1.00 H new ATOM 0 HA SER A 17 27.801 15.895 8.280 1.00 1.00 H new ATOM 0 HB2 SER A 17 29.095 17.751 10.317 1.00 1.00 H new ATOM 0 HB3 SER A 17 30.066 16.757 9.250 1.00 1.00 H new ATOM 0 HG SER A 17 29.613 18.850 8.329 1.00 1.00 H new ATOM 235 N GLU A 18 29.100 14.050 9.462 1.00 1.00 N ATOM 236 CA GLU A 18 29.554 12.835 10.127 1.00 1.00 C ATOM 237 C GLU A 18 30.976 13.011 10.653 1.00 1.00 C ATOM 238 O GLU A 18 31.733 13.845 10.157 1.00 1.00 O ATOM 239 CB GLU A 18 29.512 11.657 9.150 1.00 1.00 C ATOM 240 CG GLU A 18 28.759 10.489 9.789 1.00 1.00 C ATOM 241 CD GLU A 18 28.709 9.311 8.822 1.00 1.00 C ATOM 242 OE1 GLU A 18 29.362 9.385 7.795 1.00 1.00 O ATOM 243 OE2 GLU A 18 28.016 8.353 9.123 1.00 1.00 O ATOM 0 H GLU A 18 29.366 14.122 8.480 1.00 1.00 H new ATOM 0 HA GLU A 18 28.890 12.634 10.967 1.00 1.00 H new ATOM 0 HB2 GLU A 18 29.021 11.956 8.224 1.00 1.00 H new ATOM 0 HB3 GLU A 18 30.525 11.351 8.889 1.00 1.00 H new ATOM 0 HG2 GLU A 18 29.252 10.190 10.714 1.00 1.00 H new ATOM 0 HG3 GLU A 18 27.747 10.798 10.052 1.00 1.00 H new ATOM 250 N CYS A 19 31.329 12.221 11.662 1.00 1.00 N ATOM 251 CA CYS A 19 32.663 12.300 12.249 1.00 1.00 C ATOM 252 C CYS A 19 33.006 11.002 12.973 1.00 1.00 C ATOM 253 O CYS A 19 32.125 10.319 13.496 1.00 1.00 O ATOM 254 CB CYS A 19 32.731 13.469 13.233 1.00 1.00 C ATOM 255 SG CYS A 19 33.101 14.995 12.332 1.00 1.00 S ATOM 0 H CYS A 19 30.717 11.525 12.087 1.00 1.00 H new ATOM 0 HA CYS A 19 33.385 12.458 11.448 1.00 1.00 H new ATOM 0 HB2 CYS A 19 31.784 13.568 13.763 1.00 1.00 H new ATOM 0 HB3 CYS A 19 33.499 13.282 13.984 1.00 1.00 H new ATOM 0 HG CYS A 19 32.781 14.848 11.080 1.00 1.00 H new ATOM 261 N GLU A 20 34.292 10.668 12.999 1.00 1.00 N ATOM 262 CA GLU A 20 34.740 9.449 13.663 1.00 1.00 C ATOM 263 C GLU A 20 34.419 8.226 12.810 1.00 1.00 C ATOM 264 O GLU A 20 35.072 7.188 12.924 1.00 1.00 O ATOM 265 CB GLU A 20 34.060 9.316 15.026 1.00 1.00 C ATOM 266 CG GLU A 20 35.028 8.675 16.022 1.00 1.00 C ATOM 267 CD GLU A 20 34.281 8.263 17.285 1.00 1.00 C ATOM 268 OE1 GLU A 20 33.088 8.026 17.192 1.00 1.00 O ATOM 269 OE2 GLU A 20 34.913 8.190 18.327 1.00 1.00 O ATOM 0 H GLU A 20 35.037 11.219 12.572 1.00 1.00 H new ATOM 0 HA GLU A 20 35.820 9.509 13.801 1.00 1.00 H new ATOM 0 HB2 GLU A 20 33.749 10.297 15.386 1.00 1.00 H new ATOM 0 HB3 GLU A 20 33.159 8.709 14.937 1.00 1.00 H new ATOM 0 HG2 GLU A 20 35.503 7.804 15.570 1.00 1.00 H new ATOM 0 HG3 GLU A 20 35.823 9.378 16.273 1.00 1.00 H new ATOM 276 N TYR A 21 33.409 8.357 11.956 1.00 1.00 N ATOM 277 CA TYR A 21 33.008 7.255 11.087 1.00 1.00 C ATOM 278 C TYR A 21 33.985 7.108 9.924 1.00 1.00 C ATOM 279 O TYR A 21 33.599 6.711 8.825 1.00 1.00 O ATOM 280 CB TYR A 21 31.600 7.507 10.544 1.00 1.00 C ATOM 281 CG TYR A 21 30.902 6.188 10.319 1.00 1.00 C ATOM 282 CD1 TYR A 21 30.313 5.514 11.396 1.00 1.00 C ATOM 283 CD2 TYR A 21 30.842 5.639 9.032 1.00 1.00 C ATOM 284 CE1 TYR A 21 29.664 4.291 11.186 1.00 1.00 C ATOM 285 CE2 TYR A 21 30.193 4.416 8.822 1.00 1.00 C ATOM 286 CZ TYR A 21 29.604 3.742 9.899 1.00 1.00 C ATOM 287 OH TYR A 21 28.964 2.537 9.692 1.00 1.00 O ATOM 0 H TYR A 21 32.857 9.208 11.847 1.00 1.00 H new ATOM 0 HA TYR A 21 33.014 6.334 11.670 1.00 1.00 H new ATOM 0 HB2 TYR A 21 31.031 8.116 11.247 1.00 1.00 H new ATOM 0 HB3 TYR A 21 31.654 8.066 9.610 1.00 1.00 H new ATOM 0 HD1 TYR A 21 30.359 5.937 12.388 1.00 1.00 H new ATOM 0 HD2 TYR A 21 31.296 6.159 8.201 1.00 1.00 H new ATOM 0 HE1 TYR A 21 29.210 3.771 12.017 1.00 1.00 H new ATOM 0 HE2 TYR A 21 30.147 3.993 7.830 1.00 1.00 H new ATOM 0 HH TYR A 21 29.013 2.299 8.742 1.00 1.00 H new ATOM 297 N THR A 22 35.249 7.430 10.175 1.00 1.00 N ATOM 298 CA THR A 22 36.271 7.330 9.140 1.00 1.00 C ATOM 299 C THR A 22 37.651 7.142 9.764 1.00 1.00 C ATOM 300 O THR A 22 38.671 7.415 9.133 1.00 1.00 O ATOM 301 CB THR A 22 36.268 8.595 8.278 1.00 1.00 C ATOM 302 OG1 THR A 22 35.056 9.307 8.492 1.00 1.00 O ATOM 303 CG2 THR A 22 36.384 8.210 6.803 1.00 1.00 C ATOM 0 H THR A 22 35.589 7.760 11.078 1.00 1.00 H new ATOM 0 HA THR A 22 36.045 6.465 8.517 1.00 1.00 H new ATOM 0 HB THR A 22 37.114 9.226 8.552 1.00 1.00 H new ATOM 0 HG1 THR A 22 35.052 10.118 7.942 1.00 1.00 H new ATOM 0 HG21 THR A 22 36.382 9.112 6.190 1.00 1.00 H new ATOM 0 HG22 THR A 22 37.313 7.664 6.642 1.00 1.00 H new ATOM 0 HG23 THR A 22 35.540 7.580 6.524 1.00 1.00 H new ATOM 311 N ASP A 23 37.673 6.677 11.009 1.00 1.00 N ATOM 312 CA ASP A 23 38.933 6.457 11.710 1.00 1.00 C ATOM 313 C ASP A 23 38.881 5.161 12.512 1.00 1.00 C ATOM 314 O ASP A 23 39.645 4.976 13.460 1.00 1.00 O ATOM 315 CB ASP A 23 39.219 7.630 12.649 1.00 1.00 C ATOM 316 CG ASP A 23 38.615 7.357 14.022 1.00 1.00 C ATOM 317 OD1 ASP A 23 37.426 7.090 14.082 1.00 1.00 O ATOM 318 OD2 ASP A 23 39.350 7.418 14.994 1.00 1.00 O ATOM 0 H ASP A 23 36.839 6.447 11.550 1.00 1.00 H new ATOM 0 HA ASP A 23 39.730 6.381 10.971 1.00 1.00 H new ATOM 0 HB2 ASP A 23 40.295 7.781 12.739 1.00 1.00 H new ATOM 0 HB3 ASP A 23 38.802 8.548 12.235 1.00 1.00 H new ATOM 323 N TRP A 24 37.976 4.268 12.125 1.00 1.00 N ATOM 324 CA TRP A 24 37.832 2.992 12.818 1.00 1.00 C ATOM 325 C TRP A 24 39.104 2.157 12.683 1.00 1.00 C ATOM 326 O TRP A 24 40.051 2.324 13.453 1.00 1.00 O ATOM 327 CB TRP A 24 36.636 2.216 12.253 1.00 1.00 C ATOM 328 CG TRP A 24 36.428 2.560 10.810 1.00 1.00 C ATOM 329 CD1 TRP A 24 37.404 2.891 9.934 1.00 1.00 C ATOM 330 CD2 TRP A 24 35.176 2.610 10.066 1.00 1.00 C ATOM 331 NE1 TRP A 24 36.831 3.139 8.699 1.00 1.00 N ATOM 332 CE2 TRP A 24 35.460 2.980 8.730 1.00 1.00 C ATOM 333 CE3 TRP A 24 33.835 2.373 10.418 1.00 1.00 C ATOM 334 CZ2 TRP A 24 34.450 3.109 7.777 1.00 1.00 C ATOM 335 CZ3 TRP A 24 32.815 2.502 9.460 1.00 1.00 C ATOM 336 CH2 TRP A 24 33.122 2.869 8.142 1.00 1.00 C ATOM 0 H TRP A 24 37.336 4.402 11.342 1.00 1.00 H new ATOM 0 HA TRP A 24 37.660 3.194 13.875 1.00 1.00 H new ATOM 0 HB2 TRP A 24 36.807 1.145 12.357 1.00 1.00 H new ATOM 0 HB3 TRP A 24 35.738 2.453 12.823 1.00 1.00 H new ATOM 0 HD1 TRP A 24 38.458 2.952 10.161 1.00 1.00 H new ATOM 0 HE1 TRP A 24 37.357 3.407 7.867 1.00 1.00 H new ATOM 0 HE3 TRP A 24 33.588 2.090 11.431 1.00 1.00 H new ATOM 0 HZ2 TRP A 24 34.692 3.393 6.763 1.00 1.00 H new ATOM 0 HZ3 TRP A 24 31.789 2.317 9.741 1.00 1.00 H new ATOM 0 HH2 TRP A 24 32.334 2.966 7.410 1.00 1.00 H new ATOM 347 N LYS A 25 39.122 1.255 11.705 1.00 1.00 N ATOM 348 CA LYS A 25 40.284 0.402 11.484 1.00 1.00 C ATOM 349 C LYS A 25 41.434 1.203 10.882 1.00 1.00 C ATOM 350 O LYS A 25 42.191 0.695 10.055 1.00 1.00 O ATOM 351 CB LYS A 25 39.919 -0.751 10.545 1.00 1.00 C ATOM 352 CG LYS A 25 38.559 -1.331 10.940 1.00 1.00 C ATOM 353 CD LYS A 25 37.498 -0.871 9.936 1.00 1.00 C ATOM 354 CE LYS A 25 36.106 -1.229 10.461 1.00 1.00 C ATOM 355 NZ LYS A 25 35.939 -2.710 10.459 1.00 1.00 N ATOM 0 H LYS A 25 38.350 1.097 11.057 1.00 1.00 H new ATOM 0 HA LYS A 25 40.600 0.001 12.447 1.00 1.00 H new ATOM 0 HB2 LYS A 25 39.888 -0.397 9.515 1.00 1.00 H new ATOM 0 HB3 LYS A 25 40.683 -1.527 10.593 1.00 1.00 H new ATOM 0 HG2 LYS A 25 38.608 -2.420 10.961 1.00 1.00 H new ATOM 0 HG3 LYS A 25 38.290 -1.005 11.945 1.00 1.00 H new ATOM 0 HD2 LYS A 25 37.573 0.205 9.779 1.00 1.00 H new ATOM 0 HD3 LYS A 25 37.667 -1.346 8.970 1.00 1.00 H new ATOM 0 HE2 LYS A 25 35.975 -0.839 11.470 1.00 1.00 H new ATOM 0 HE3 LYS A 25 35.341 -0.765 9.839 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 34.952 -2.948 10.685 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 36.179 -3.085 9.519 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 36.569 -3.131 11.171 1.00 1.00 H new ATOM 369 N SER A 26 41.559 2.459 11.300 1.00 1.00 N ATOM 370 CA SER A 26 42.621 3.320 10.792 1.00 1.00 C ATOM 371 C SER A 26 43.934 3.037 11.517 1.00 1.00 C ATOM 372 O SER A 26 44.938 3.710 11.288 1.00 1.00 O ATOM 373 CB SER A 26 42.239 4.788 10.981 1.00 1.00 C ATOM 374 OG SER A 26 43.372 5.513 11.440 1.00 1.00 O ATOM 0 H SER A 26 40.944 2.900 11.983 1.00 1.00 H new ATOM 0 HA SER A 26 42.753 3.113 9.730 1.00 1.00 H new ATOM 0 HB2 SER A 26 41.882 5.207 10.040 1.00 1.00 H new ATOM 0 HB3 SER A 26 41.423 4.874 11.698 1.00 1.00 H new ATOM 0 HG SER A 26 44.171 5.210 10.959 1.00 1.00 H new ATOM 380 N SER A 27 43.916 2.037 12.392 1.00 1.00 N ATOM 381 CA SER A 27 45.110 1.672 13.147 1.00 1.00 C ATOM 382 C SER A 27 45.275 0.157 13.186 1.00 1.00 C ATOM 383 O SER A 27 46.181 -0.394 12.560 1.00 1.00 O ATOM 384 CB SER A 27 45.012 2.213 14.573 1.00 1.00 C ATOM 385 OG SER A 27 46.284 2.116 15.200 1.00 1.00 O ATOM 0 H SER A 27 43.094 1.468 12.595 1.00 1.00 H new ATOM 0 HA SER A 27 45.978 2.109 12.653 1.00 1.00 H new ATOM 0 HB2 SER A 27 44.679 3.251 14.559 1.00 1.00 H new ATOM 0 HB3 SER A 27 44.271 1.648 15.139 1.00 1.00 H new ATOM 0 HG SER A 27 46.225 2.464 16.114 1.00 1.00 H new ATOM 391 N GLY A 28 44.395 -0.510 13.924 1.00 1.00 N ATOM 392 CA GLY A 28 44.453 -1.963 14.036 1.00 1.00 C ATOM 393 C GLY A 28 43.220 -2.502 14.753 1.00 1.00 C ATOM 394 O GLY A 28 43.266 -3.566 15.371 1.00 1.00 O ATOM 0 H GLY A 28 43.639 -0.072 14.450 1.00 1.00 H new ATOM 0 HA2 GLY A 28 44.524 -2.406 13.043 1.00 1.00 H new ATOM 0 HA3 GLY A 28 45.352 -2.254 14.580 1.00 1.00 H new ATOM 398 N ALA A 29 42.120 -1.762 14.666 1.00 1.00 N ATOM 399 CA ALA A 29 40.879 -2.177 15.311 1.00 1.00 C ATOM 400 C ALA A 29 41.159 -2.714 16.710 1.00 1.00 C ATOM 401 O ALA A 29 40.521 -3.669 17.157 1.00 1.00 O ATOM 402 CB ALA A 29 40.194 -3.258 14.475 1.00 1.00 C ATOM 0 H ALA A 29 42.062 -0.879 14.159 1.00 1.00 H new ATOM 0 HA ALA A 29 40.223 -1.310 15.391 1.00 1.00 H new ATOM 0 HB1 ALA A 29 39.268 -3.563 14.963 1.00 1.00 H new ATOM 0 HB2 ALA A 29 39.969 -2.864 13.484 1.00 1.00 H new ATOM 0 HB3 ALA A 29 40.855 -4.119 14.381 1.00 1.00 H new ATOM 408 N LEU A 30 42.114 -2.093 17.397 1.00 1.00 N ATOM 409 CA LEU A 30 42.475 -2.512 18.747 1.00 1.00 C ATOM 410 C LEU A 30 42.460 -1.319 19.698 1.00 1.00 C ATOM 411 O LEU A 30 42.225 -1.472 20.897 1.00 1.00 O ATOM 412 CB LEU A 30 43.869 -3.142 18.743 1.00 1.00 C ATOM 413 CG LEU A 30 43.762 -4.615 18.348 1.00 1.00 C ATOM 414 CD1 LEU A 30 45.044 -5.047 17.633 1.00 1.00 C ATOM 415 CD2 LEU A 30 43.568 -5.466 19.605 1.00 1.00 C ATOM 0 H LEU A 30 42.650 -1.301 17.042 1.00 1.00 H new ATOM 0 HA LEU A 30 41.745 -3.246 19.087 1.00 1.00 H new ATOM 0 HB2 LEU A 30 44.517 -2.613 18.044 1.00 1.00 H new ATOM 0 HB3 LEU A 30 44.324 -3.051 19.730 1.00 1.00 H new ATOM 0 HG LEU A 30 42.911 -4.751 17.681 1.00 1.00 H new ATOM 0 HD11 LEU A 30 44.967 -6.097 17.352 1.00 1.00 H new ATOM 0 HD12 LEU A 30 45.183 -4.441 16.738 1.00 1.00 H new ATOM 0 HD13 LEU A 30 45.896 -4.911 18.299 1.00 1.00 H new ATOM 0 HD21 LEU A 30 43.492 -6.517 19.325 1.00 1.00 H new ATOM 0 HD22 LEU A 30 44.419 -5.329 20.272 1.00 1.00 H new ATOM 0 HD23 LEU A 30 42.655 -5.159 20.115 1.00 1.00 H new ATOM 427 N ILE A 31 42.711 -0.134 19.155 1.00 1.00 N ATOM 428 CA ILE A 31 42.724 1.079 19.965 1.00 1.00 C ATOM 429 C ILE A 31 41.313 1.655 20.146 1.00 1.00 C ATOM 430 O ILE A 31 41.012 2.225 21.195 1.00 1.00 O ATOM 431 CB ILE A 31 43.646 2.129 19.329 1.00 1.00 C ATOM 432 CG1 ILE A 31 45.094 1.862 19.763 1.00 1.00 C ATOM 433 CG2 ILE A 31 43.224 3.535 19.770 1.00 1.00 C ATOM 434 CD1 ILE A 31 45.393 2.581 21.083 1.00 1.00 C ATOM 0 H ILE A 31 42.907 0.013 18.165 1.00 1.00 H new ATOM 0 HA ILE A 31 43.104 0.815 20.952 1.00 1.00 H new ATOM 0 HB ILE A 31 43.572 2.063 18.244 1.00 1.00 H new ATOM 0 HG12 ILE A 31 45.254 0.790 19.880 1.00 1.00 H new ATOM 0 HG13 ILE A 31 45.782 2.205 18.990 1.00 1.00 H new ATOM 0 HG21 ILE A 31 43.884 4.273 19.314 1.00 1.00 H new ATOM 0 HG22 ILE A 31 42.197 3.722 19.455 1.00 1.00 H new ATOM 0 HG23 ILE A 31 43.290 3.611 20.855 1.00 1.00 H new ATOM 0 HD11 ILE A 31 46.423 2.383 21.380 1.00 1.00 H new ATOM 0 HD12 ILE A 31 45.252 3.654 20.953 1.00 1.00 H new ATOM 0 HD13 ILE A 31 44.717 2.218 21.857 1.00 1.00 H new ATOM 446 N PRO A 32 40.441 1.529 19.168 1.00 1.00 N ATOM 447 CA PRO A 32 39.051 2.067 19.273 1.00 1.00 C ATOM 448 C PRO A 32 38.307 1.495 20.477 1.00 1.00 C ATOM 449 O PRO A 32 37.442 2.152 21.054 1.00 1.00 O ATOM 450 CB PRO A 32 38.379 1.639 17.964 1.00 1.00 C ATOM 451 CG PRO A 32 39.495 1.351 17.016 1.00 1.00 C ATOM 452 CD PRO A 32 40.667 0.873 17.868 1.00 1.00 C ATOM 0 HA PRO A 32 39.046 3.147 19.418 1.00 1.00 H new ATOM 0 HB2 PRO A 32 37.755 0.758 18.114 1.00 1.00 H new ATOM 0 HB3 PRO A 32 37.732 2.427 17.580 1.00 1.00 H new ATOM 0 HG2 PRO A 32 39.204 0.589 16.293 1.00 1.00 H new ATOM 0 HG3 PRO A 32 39.764 2.243 16.450 1.00 1.00 H new ATOM 0 HD2 PRO A 32 40.677 -0.213 17.963 1.00 1.00 H new ATOM 0 HD3 PRO A 32 41.623 1.163 17.433 1.00 1.00 H new ATOM 460 N ALA A 33 38.653 0.266 20.850 1.00 1.00 N ATOM 461 CA ALA A 33 38.012 -0.384 21.986 1.00 1.00 C ATOM 462 C ALA A 33 38.356 0.344 23.282 1.00 1.00 C ATOM 463 O ALA A 33 37.518 0.470 24.176 1.00 1.00 O ATOM 464 CB ALA A 33 38.469 -1.841 22.081 1.00 1.00 C ATOM 0 H ALA A 33 39.368 -0.295 20.386 1.00 1.00 H new ATOM 0 HA ALA A 33 36.933 -0.351 21.838 1.00 1.00 H new ATOM 0 HB1 ALA A 33 37.985 -2.319 22.933 1.00 1.00 H new ATOM 0 HB2 ALA A 33 38.197 -2.368 21.166 1.00 1.00 H new ATOM 0 HB3 ALA A 33 39.551 -1.875 22.212 1.00 1.00 H new ATOM 470 N ILE A 34 39.591 0.824 23.375 1.00 1.00 N ATOM 471 CA ILE A 34 40.035 1.540 24.566 1.00 1.00 C ATOM 472 C ILE A 34 39.649 3.013 24.479 1.00 1.00 C ATOM 473 O ILE A 34 39.849 3.776 25.424 1.00 1.00 O ATOM 474 CB ILE A 34 41.552 1.416 24.715 1.00 1.00 C ATOM 475 CG1 ILE A 34 41.916 -0.039 25.020 1.00 1.00 C ATOM 476 CG2 ILE A 34 42.028 2.310 25.861 1.00 1.00 C ATOM 477 CD1 ILE A 34 43.209 -0.407 24.289 1.00 1.00 C ATOM 0 H ILE A 34 40.298 0.732 22.646 1.00 1.00 H new ATOM 0 HA ILE A 34 39.548 1.099 25.436 1.00 1.00 H new ATOM 0 HB ILE A 34 42.034 1.726 23.788 1.00 1.00 H new ATOM 0 HG12 ILE A 34 42.042 -0.176 26.094 1.00 1.00 H new ATOM 0 HG13 ILE A 34 41.108 -0.700 24.707 1.00 1.00 H new ATOM 0 HG21 ILE A 34 43.109 2.221 25.967 1.00 1.00 H new ATOM 0 HG22 ILE A 34 41.768 3.347 25.646 1.00 1.00 H new ATOM 0 HG23 ILE A 34 41.546 2.000 26.788 1.00 1.00 H new ATOM 0 HD11 ILE A 34 43.468 -1.443 24.507 1.00 1.00 H new ATOM 0 HD12 ILE A 34 43.067 -0.286 23.215 1.00 1.00 H new ATOM 0 HD13 ILE A 34 44.015 0.246 24.624 1.00 1.00 H new ATOM 489 N TYR A 35 39.094 3.406 23.336 1.00 1.00 N ATOM 490 CA TYR A 35 38.682 4.791 23.134 1.00 1.00 C ATOM 491 C TYR A 35 37.254 5.002 23.626 1.00 1.00 C ATOM 492 O TYR A 35 37.000 5.856 24.475 1.00 1.00 O ATOM 493 CB TYR A 35 38.773 5.150 21.650 1.00 1.00 C ATOM 494 CG TYR A 35 39.071 6.622 21.504 1.00 1.00 C ATOM 495 CD1 TYR A 35 40.396 7.073 21.506 1.00 1.00 C ATOM 496 CD2 TYR A 35 38.021 7.539 21.366 1.00 1.00 C ATOM 497 CE1 TYR A 35 40.673 8.438 21.370 1.00 1.00 C ATOM 498 CE2 TYR A 35 38.297 8.904 21.229 1.00 1.00 C ATOM 499 CZ TYR A 35 39.623 9.355 21.231 1.00 1.00 C ATOM 500 OH TYR A 35 39.895 10.700 21.096 1.00 1.00 O ATOM 0 H TYR A 35 38.920 2.790 22.541 1.00 1.00 H new ATOM 0 HA TYR A 35 39.349 5.437 23.705 1.00 1.00 H new ATOM 0 HB2 TYR A 35 39.554 4.561 21.170 1.00 1.00 H new ATOM 0 HB3 TYR A 35 37.837 4.906 21.148 1.00 1.00 H new ATOM 0 HD1 TYR A 35 41.206 6.367 21.613 1.00 1.00 H new ATOM 0 HD2 TYR A 35 36.998 7.192 21.365 1.00 1.00 H new ATOM 0 HE1 TYR A 35 41.696 8.784 21.372 1.00 1.00 H new ATOM 0 HE2 TYR A 35 37.487 9.610 21.122 1.00 1.00 H new ATOM 0 HH TYR A 35 39.055 11.197 21.009 1.00 1.00 H new ATOM 510 N MET A 36 36.326 4.220 23.086 1.00 1.00 N ATOM 511 CA MET A 36 34.925 4.332 23.478 1.00 1.00 C ATOM 512 C MET A 36 34.719 3.778 24.883 1.00 1.00 C ATOM 513 O MET A 36 33.586 3.610 25.335 1.00 1.00 O ATOM 514 CB MET A 36 34.042 3.571 22.489 1.00 1.00 C ATOM 515 CG MET A 36 34.145 4.224 21.109 1.00 1.00 C ATOM 516 SD MET A 36 32.503 4.773 20.579 1.00 1.00 S ATOM 517 CE MET A 36 32.958 6.473 20.159 1.00 1.00 C ATOM 0 H MET A 36 36.515 3.507 22.381 1.00 1.00 H new ATOM 0 HA MET A 36 34.647 5.386 23.471 1.00 1.00 H new ATOM 0 HB2 MET A 36 34.354 2.528 22.434 1.00 1.00 H new ATOM 0 HB3 MET A 36 33.007 3.577 22.830 1.00 1.00 H new ATOM 0 HG2 MET A 36 34.830 5.071 21.146 1.00 1.00 H new ATOM 0 HG3 MET A 36 34.554 3.515 20.389 1.00 1.00 H new ATOM 0 HE1 MET A 36 32.362 6.810 19.311 1.00 1.00 H new ATOM 0 HE2 MET A 36 32.770 7.122 21.015 1.00 1.00 H new ATOM 0 HE3 MET A 36 34.016 6.513 19.899 1.00 1.00 H new ATOM 527 N LEU A 37 35.822 3.507 25.570 1.00 1.00 N ATOM 528 CA LEU A 37 35.758 2.983 26.929 1.00 1.00 C ATOM 529 C LEU A 37 36.105 4.083 27.926 1.00 1.00 C ATOM 530 O LEU A 37 36.233 3.834 29.124 1.00 1.00 O ATOM 531 CB LEU A 37 36.737 1.815 27.090 1.00 1.00 C ATOM 532 CG LEU A 37 35.979 0.482 27.051 1.00 1.00 C ATOM 533 CD1 LEU A 37 35.099 0.343 28.299 1.00 1.00 C ATOM 534 CD2 LEU A 37 35.101 0.430 25.799 1.00 1.00 C ATOM 0 H LEU A 37 36.767 3.640 25.211 1.00 1.00 H new ATOM 0 HA LEU A 37 34.745 2.628 27.122 1.00 1.00 H new ATOM 0 HB2 LEU A 37 37.482 1.842 26.294 1.00 1.00 H new ATOM 0 HB3 LEU A 37 37.275 1.909 28.033 1.00 1.00 H new ATOM 0 HG LEU A 37 36.698 -0.337 27.028 1.00 1.00 H new ATOM 0 HD11 LEU A 37 34.564 -0.606 28.263 1.00 1.00 H new ATOM 0 HD12 LEU A 37 35.725 0.374 29.191 1.00 1.00 H new ATOM 0 HD13 LEU A 37 34.381 1.163 28.331 1.00 1.00 H new ATOM 0 HD21 LEU A 37 34.562 -0.517 25.771 1.00 1.00 H new ATOM 0 HD22 LEU A 37 34.387 1.253 25.821 1.00 1.00 H new ATOM 0 HD23 LEU A 37 35.728 0.517 24.911 1.00 1.00 H new ATOM 546 N VAL A 38 36.256 5.301 27.414 1.00 1.00 N ATOM 547 CA VAL A 38 36.592 6.439 28.259 1.00 1.00 C ATOM 548 C VAL A 38 35.753 7.656 27.880 1.00 1.00 C ATOM 549 O VAL A 38 35.581 8.575 28.681 1.00 1.00 O ATOM 550 CB VAL A 38 38.075 6.776 28.111 1.00 1.00 C ATOM 551 CG1 VAL A 38 38.473 7.813 29.163 1.00 1.00 C ATOM 552 CG2 VAL A 38 38.907 5.507 28.306 1.00 1.00 C ATOM 0 H VAL A 38 36.151 5.523 26.424 1.00 1.00 H new ATOM 0 HA VAL A 38 36.379 6.174 29.295 1.00 1.00 H new ATOM 0 HB VAL A 38 38.257 7.182 27.116 1.00 1.00 H new ATOM 0 HG11 VAL A 38 39.531 8.052 29.056 1.00 1.00 H new ATOM 0 HG12 VAL A 38 37.881 8.717 29.025 1.00 1.00 H new ATOM 0 HG13 VAL A 38 38.291 7.409 30.159 1.00 1.00 H new ATOM 0 HG21 VAL A 38 39.965 5.746 28.201 1.00 1.00 H new ATOM 0 HG22 VAL A 38 38.724 5.101 29.301 1.00 1.00 H new ATOM 0 HG23 VAL A 38 38.625 4.768 27.555 1.00 1.00 H new ATOM 562 N PHE A 39 35.233 7.659 26.656 1.00 1.00 N ATOM 563 CA PHE A 39 34.416 8.774 26.190 1.00 1.00 C ATOM 564 C PHE A 39 33.041 8.747 26.851 1.00 1.00 C ATOM 565 O PHE A 39 32.498 9.788 27.216 1.00 1.00 O ATOM 566 CB PHE A 39 34.262 8.713 24.669 1.00 1.00 C ATOM 567 CG PHE A 39 32.983 9.405 24.260 1.00 1.00 C ATOM 568 CD1 PHE A 39 32.692 10.683 24.751 1.00 1.00 C ATOM 569 CD2 PHE A 39 32.090 8.769 23.390 1.00 1.00 C ATOM 570 CE1 PHE A 39 31.507 11.326 24.371 1.00 1.00 C ATOM 571 CE2 PHE A 39 30.906 9.411 23.010 1.00 1.00 C ATOM 572 CZ PHE A 39 30.614 10.690 23.501 1.00 1.00 C ATOM 0 H PHE A 39 35.361 6.910 25.975 1.00 1.00 H new ATOM 0 HA PHE A 39 34.916 9.704 26.463 1.00 1.00 H new ATOM 0 HB2 PHE A 39 35.115 9.191 24.188 1.00 1.00 H new ATOM 0 HB3 PHE A 39 34.248 7.675 24.336 1.00 1.00 H new ATOM 0 HD1 PHE A 39 33.381 11.173 25.423 1.00 1.00 H new ATOM 0 HD2 PHE A 39 32.315 7.783 23.012 1.00 1.00 H new ATOM 0 HE1 PHE A 39 31.282 12.312 24.749 1.00 1.00 H new ATOM 0 HE2 PHE A 39 30.217 8.920 22.338 1.00 1.00 H new ATOM 0 HZ PHE A 39 29.700 11.185 23.208 1.00 1.00 H new ATOM 582 N LEU A 40 32.484 7.549 27.007 1.00 1.00 N ATOM 583 CA LEU A 40 31.173 7.407 27.632 1.00 1.00 C ATOM 584 C LEU A 40 31.313 7.342 29.149 1.00 1.00 C ATOM 585 O LEU A 40 30.627 8.059 29.877 1.00 1.00 O ATOM 586 CB LEU A 40 30.468 6.140 27.131 1.00 1.00 C ATOM 587 CG LEU A 40 31.474 5.214 26.441 1.00 1.00 C ATOM 588 CD1 LEU A 40 30.837 3.839 26.233 1.00 1.00 C ATOM 589 CD2 LEU A 40 31.872 5.798 25.082 1.00 1.00 C ATOM 0 H LEU A 40 32.914 6.672 26.713 1.00 1.00 H new ATOM 0 HA LEU A 40 30.575 8.277 27.361 1.00 1.00 H new ATOM 0 HB2 LEU A 40 29.999 5.621 27.967 1.00 1.00 H new ATOM 0 HB3 LEU A 40 29.673 6.408 26.435 1.00 1.00 H new ATOM 0 HG LEU A 40 32.362 5.119 27.066 1.00 1.00 H new ATOM 0 HD11 LEU A 40 31.551 3.178 25.742 1.00 1.00 H new ATOM 0 HD12 LEU A 40 30.557 3.418 27.199 1.00 1.00 H new ATOM 0 HD13 LEU A 40 29.948 3.940 25.610 1.00 1.00 H new ATOM 0 HD21 LEU A 40 32.588 5.135 24.596 1.00 1.00 H new ATOM 0 HD22 LEU A 40 30.986 5.897 24.455 1.00 1.00 H new ATOM 0 HD23 LEU A 40 32.326 6.778 25.226 1.00 1.00 H new ATOM 601 N LEU A 41 32.208 6.478 29.619 1.00 1.00 N ATOM 602 CA LEU A 41 32.430 6.330 31.053 1.00 1.00 C ATOM 603 C LEU A 41 32.577 7.696 31.712 1.00 1.00 C ATOM 604 O LEU A 41 31.909 7.994 32.703 1.00 1.00 O ATOM 605 CB LEU A 41 33.696 5.502 31.302 1.00 1.00 C ATOM 606 CG LEU A 41 33.320 4.060 31.665 1.00 1.00 C ATOM 607 CD1 LEU A 41 32.637 4.023 33.036 1.00 1.00 C ATOM 608 CD2 LEU A 41 32.369 3.499 30.605 1.00 1.00 C ATOM 0 H LEU A 41 32.786 5.875 29.034 1.00 1.00 H new ATOM 0 HA LEU A 41 31.570 5.819 31.486 1.00 1.00 H new ATOM 0 HB2 LEU A 41 34.325 5.509 30.412 1.00 1.00 H new ATOM 0 HB3 LEU A 41 34.279 5.948 32.108 1.00 1.00 H new ATOM 0 HG LEU A 41 34.226 3.455 31.703 1.00 1.00 H new ATOM 0 HD11 LEU A 41 32.374 2.995 33.284 1.00 1.00 H new ATOM 0 HD12 LEU A 41 33.317 4.416 33.792 1.00 1.00 H new ATOM 0 HD13 LEU A 41 31.733 4.632 33.009 1.00 1.00 H new ATOM 0 HD21 LEU A 41 32.101 2.474 30.862 1.00 1.00 H new ATOM 0 HD22 LEU A 41 31.467 4.110 30.565 1.00 1.00 H new ATOM 0 HD23 LEU A 41 32.860 3.512 29.632 1.00 1.00 H new ATOM 620 N GLY A 42 33.454 8.525 31.154 1.00 1.00 N ATOM 621 CA GLY A 42 33.678 9.860 31.695 1.00 1.00 C ATOM 622 C GLY A 42 32.495 10.773 31.395 1.00 1.00 C ATOM 623 O GLY A 42 32.433 11.905 31.876 1.00 1.00 O ATOM 0 H GLY A 42 34.017 8.298 30.334 1.00 1.00 H new ATOM 0 HA2 GLY A 42 33.832 9.799 32.772 1.00 1.00 H new ATOM 0 HA3 GLY A 42 34.587 10.283 31.267 1.00 1.00 H new ATOM 627 N THR A 43 31.557 10.273 30.597 1.00 1.00 N ATOM 628 CA THR A 43 30.378 11.053 30.238 1.00 1.00 C ATOM 629 C THR A 43 29.128 10.178 30.264 1.00 1.00 C ATOM 630 O THR A 43 28.807 9.569 31.284 1.00 1.00 O ATOM 631 CB THR A 43 30.555 11.655 28.843 1.00 1.00 C ATOM 632 OG1 THR A 43 31.780 12.371 28.790 1.00 1.00 O ATOM 633 CG2 THR A 43 29.393 12.603 28.542 1.00 1.00 C ATOM 0 H THR A 43 31.589 9.339 30.189 1.00 1.00 H new ATOM 0 HA THR A 43 30.260 11.855 30.966 1.00 1.00 H new ATOM 0 HB THR A 43 30.569 10.856 28.102 1.00 1.00 H new ATOM 0 HG1 THR A 43 32.439 11.854 28.281 1.00 1.00 H new ATOM 0 HG21 THR A 43 29.521 13.031 27.548 1.00 1.00 H new ATOM 0 HG22 THR A 43 28.454 12.051 28.582 1.00 1.00 H new ATOM 0 HG23 THR A 43 29.375 13.403 29.282 1.00 1.00 H new ATOM 641 N THR A 44 28.428 10.123 29.134 1.00 1.00 N ATOM 642 CA THR A 44 27.212 9.322 29.036 1.00 1.00 C ATOM 643 C THR A 44 26.173 9.797 30.045 1.00 1.00 C ATOM 644 O THR A 44 25.199 10.458 29.684 1.00 1.00 O ATOM 645 CB THR A 44 27.534 7.846 29.288 1.00 1.00 C ATOM 646 OG1 THR A 44 28.671 7.474 28.522 1.00 1.00 O ATOM 647 CG2 THR A 44 26.338 6.985 28.880 1.00 1.00 C ATOM 0 H THR A 44 28.680 10.620 28.279 1.00 1.00 H new ATOM 0 HA THR A 44 26.805 9.438 28.031 1.00 1.00 H new ATOM 0 HB THR A 44 27.743 7.695 30.347 1.00 1.00 H new ATOM 0 HG1 THR A 44 28.552 7.769 27.595 1.00 1.00 H new ATOM 0 HG21 THR A 44 26.568 5.935 29.060 1.00 1.00 H new ATOM 0 HG22 THR A 44 25.466 7.271 29.468 1.00 1.00 H new ATOM 0 HG23 THR A 44 26.127 7.134 27.821 1.00 1.00 H new ATOM 655 N GLY A 45 26.389 9.459 31.311 1.00 1.00 N ATOM 656 CA GLY A 45 25.469 9.856 32.368 1.00 1.00 C ATOM 657 C GLY A 45 26.218 10.088 33.674 1.00 1.00 C ATOM 658 O GLY A 45 25.922 9.464 34.692 1.00 1.00 O ATOM 0 H GLY A 45 27.190 8.913 31.629 1.00 1.00 H new ATOM 0 HA2 GLY A 45 24.944 10.766 32.077 1.00 1.00 H new ATOM 0 HA3 GLY A 45 24.713 9.083 32.509 1.00 1.00 H new ATOM 662 N ASN A 46 27.193 10.989 33.632 1.00 1.00 N ATOM 663 CA ASN A 46 27.986 11.298 34.814 1.00 1.00 C ATOM 664 C ASN A 46 28.529 12.720 34.731 1.00 1.00 C ATOM 665 O ASN A 46 29.254 13.068 33.798 1.00 1.00 O ATOM 666 CB ASN A 46 29.144 10.304 34.936 1.00 1.00 C ATOM 667 CG ASN A 46 30.475 11.044 34.904 1.00 1.00 C ATOM 668 OD1 ASN A 46 30.994 11.383 33.757 1.00 1.00 O flip ATOM 669 ND2 ASN A 46 31.057 11.325 35.952 1.00 1.00 N flip ATOM 0 H ASN A 46 27.452 11.515 32.797 1.00 1.00 H new ATOM 0 HA ASN A 46 27.349 11.218 35.695 1.00 1.00 H new ATOM 0 HB2 ASN A 46 29.054 9.741 35.865 1.00 1.00 H new ATOM 0 HB3 ASN A 46 29.101 9.582 34.121 1.00 1.00 H new ATOM 0 HD21 ASN A 46 30.650 11.059 36.849 1.00 1.00 H new ATOM 0 HD22 ASN A 46 31.946 11.824 35.924 1.00 1.00 H new ATOM 676 N GLY A 47 28.167 13.540 35.709 1.00 1.00 N ATOM 677 CA GLY A 47 28.619 14.927 35.740 1.00 1.00 C ATOM 678 C GLY A 47 27.909 15.754 34.674 1.00 1.00 C ATOM 679 O GLY A 47 27.918 16.984 34.720 1.00 1.00 O ATOM 0 H GLY A 47 27.565 13.272 36.488 1.00 1.00 H new ATOM 0 HA2 GLY A 47 28.428 15.354 36.724 1.00 1.00 H new ATOM 0 HA3 GLY A 47 29.696 14.966 35.579 1.00 1.00 H new ATOM 683 N LEU A 48 27.294 15.071 33.714 1.00 1.00 N ATOM 684 CA LEU A 48 26.582 15.755 32.640 1.00 1.00 C ATOM 685 C LEU A 48 25.085 15.796 32.937 1.00 1.00 C ATOM 686 O LEU A 48 24.431 16.819 32.733 1.00 1.00 O ATOM 687 CB LEU A 48 26.827 15.032 31.311 1.00 1.00 C ATOM 688 CG LEU A 48 26.211 15.829 30.153 1.00 1.00 C ATOM 689 CD1 LEU A 48 26.914 17.184 30.010 1.00 1.00 C ATOM 690 CD2 LEU A 48 26.374 15.038 28.853 1.00 1.00 C ATOM 0 H LEU A 48 27.274 14.053 33.657 1.00 1.00 H new ATOM 0 HA LEU A 48 26.954 16.777 32.569 1.00 1.00 H new ATOM 0 HB2 LEU A 48 27.898 14.908 31.148 1.00 1.00 H new ATOM 0 HB3 LEU A 48 26.392 14.033 31.346 1.00 1.00 H new ATOM 0 HG LEU A 48 25.154 15.996 30.359 1.00 1.00 H new ATOM 0 HD11 LEU A 48 26.468 17.740 29.185 1.00 1.00 H new ATOM 0 HD12 LEU A 48 26.801 17.752 30.934 1.00 1.00 H new ATOM 0 HD13 LEU A 48 27.973 17.025 29.809 1.00 1.00 H new ATOM 0 HD21 LEU A 48 25.938 15.601 28.028 1.00 1.00 H new ATOM 0 HD22 LEU A 48 27.434 14.872 28.659 1.00 1.00 H new ATOM 0 HD23 LEU A 48 25.867 14.078 28.945 1.00 1.00 H new ATOM 702 N VAL A 49 24.552 14.679 33.418 1.00 1.00 N ATOM 703 CA VAL A 49 23.131 14.599 33.739 1.00 1.00 C ATOM 704 C VAL A 49 22.723 15.750 34.653 1.00 1.00 C ATOM 705 O VAL A 49 21.584 16.214 34.611 1.00 1.00 O ATOM 706 CB VAL A 49 22.824 13.267 34.424 1.00 1.00 C ATOM 707 CG1 VAL A 49 21.429 13.324 35.051 1.00 1.00 C ATOM 708 CG2 VAL A 49 22.871 12.140 33.391 1.00 1.00 C ATOM 0 H VAL A 49 25.077 13.822 33.593 1.00 1.00 H new ATOM 0 HA VAL A 49 22.564 14.668 32.811 1.00 1.00 H new ATOM 0 HB VAL A 49 23.565 13.080 35.201 1.00 1.00 H new ATOM 0 HG11 VAL A 49 21.210 12.374 35.539 1.00 1.00 H new ATOM 0 HG12 VAL A 49 21.394 14.127 35.787 1.00 1.00 H new ATOM 0 HG13 VAL A 49 20.688 13.511 34.274 1.00 1.00 H new ATOM 0 HG21 VAL A 49 22.652 11.190 33.879 1.00 1.00 H new ATOM 0 HG22 VAL A 49 22.130 12.328 32.614 1.00 1.00 H new ATOM 0 HG23 VAL A 49 23.864 12.098 32.943 1.00 1.00 H new ATOM 718 N LEU A 50 23.662 16.207 35.476 1.00 1.00 N ATOM 719 CA LEU A 50 23.388 17.305 36.396 1.00 1.00 C ATOM 720 C LEU A 50 23.425 18.641 35.661 1.00 1.00 C ATOM 721 O LEU A 50 22.554 19.490 35.851 1.00 1.00 O ATOM 722 CB LEU A 50 24.422 17.312 37.524 1.00 1.00 C ATOM 723 CG LEU A 50 24.385 15.971 38.259 1.00 1.00 C ATOM 724 CD1 LEU A 50 25.724 15.254 38.082 1.00 1.00 C ATOM 725 CD2 LEU A 50 24.130 16.214 39.748 1.00 1.00 C ATOM 0 H LEU A 50 24.612 15.838 35.525 1.00 1.00 H new ATOM 0 HA LEU A 50 22.393 17.162 36.817 1.00 1.00 H new ATOM 0 HB2 LEU A 50 25.418 17.489 37.118 1.00 1.00 H new ATOM 0 HB3 LEU A 50 24.212 18.125 38.219 1.00 1.00 H new ATOM 0 HG LEU A 50 23.586 15.354 37.848 1.00 1.00 H new ATOM 0 HD11 LEU A 50 25.697 14.299 38.606 1.00 1.00 H new ATOM 0 HD12 LEU A 50 25.907 15.081 37.021 1.00 1.00 H new ATOM 0 HD13 LEU A 50 26.524 15.870 38.492 1.00 1.00 H new ATOM 0 HD21 LEU A 50 24.103 15.259 40.273 1.00 1.00 H new ATOM 0 HD22 LEU A 50 24.929 16.831 40.158 1.00 1.00 H new ATOM 0 HD23 LEU A 50 23.175 16.725 39.875 1.00 1.00 H new ATOM 737 N TRP A 51 24.441 18.820 34.822 1.00 1.00 N ATOM 738 CA TRP A 51 24.582 20.059 34.063 1.00 1.00 C ATOM 739 C TRP A 51 23.229 20.515 33.526 1.00 1.00 C ATOM 740 O TRP A 51 22.950 21.712 33.458 1.00 1.00 O ATOM 741 CB TRP A 51 25.552 19.850 32.899 1.00 1.00 C ATOM 742 CG TRP A 51 24.892 20.262 31.622 1.00 1.00 C ATOM 743 CD1 TRP A 51 23.997 19.518 30.935 1.00 1.00 C ATOM 744 CD2 TRP A 51 25.062 21.498 30.868 1.00 1.00 C ATOM 745 NE1 TRP A 51 23.604 20.219 29.807 1.00 1.00 N ATOM 746 CE2 TRP A 51 24.233 21.445 29.722 1.00 1.00 C ATOM 747 CE3 TRP A 51 25.846 22.649 31.066 1.00 1.00 C ATOM 748 CZ2 TRP A 51 24.185 22.495 28.806 1.00 1.00 C ATOM 749 CZ3 TRP A 51 25.799 23.708 30.145 1.00 1.00 C ATOM 750 CH2 TRP A 51 24.970 23.632 29.017 1.00 1.00 C ATOM 0 H TRP A 51 25.173 18.130 34.651 1.00 1.00 H new ATOM 0 HA TRP A 51 24.974 20.829 34.728 1.00 1.00 H new ATOM 0 HB2 TRP A 51 26.459 20.434 33.057 1.00 1.00 H new ATOM 0 HB3 TRP A 51 25.852 18.804 32.845 1.00 1.00 H new ATOM 0 HD1 TRP A 51 23.646 18.537 31.219 1.00 1.00 H new ATOM 0 HE1 TRP A 51 22.932 19.872 29.123 1.00 1.00 H new ATOM 0 HE3 TRP A 51 26.488 22.719 31.932 1.00 1.00 H new ATOM 0 HZ2 TRP A 51 23.545 22.430 27.938 1.00 1.00 H new ATOM 0 HZ3 TRP A 51 26.406 24.587 30.307 1.00 1.00 H new ATOM 0 HH2 TRP A 51 24.938 24.450 28.313 1.00 1.00 H new ATOM 761 N THR A 52 22.395 19.553 33.144 1.00 1.00 N ATOM 762 CA THR A 52 21.074 19.868 32.614 1.00 1.00 C ATOM 763 C THR A 52 20.186 20.461 33.704 1.00 1.00 C ATOM 764 O THR A 52 19.551 21.497 33.506 1.00 1.00 O ATOM 765 CB THR A 52 20.420 18.604 32.053 1.00 1.00 C ATOM 766 OG1 THR A 52 21.004 18.289 30.796 1.00 1.00 O ATOM 767 CG2 THR A 52 18.920 18.837 31.876 1.00 1.00 C ATOM 0 H THR A 52 22.608 18.557 33.191 1.00 1.00 H new ATOM 0 HA THR A 52 21.190 20.601 31.816 1.00 1.00 H new ATOM 0 HB THR A 52 20.576 17.777 32.745 1.00 1.00 H new ATOM 0 HG1 THR A 52 21.876 18.729 30.721 1.00 1.00 H new ATOM 0 HG21 THR A 52 18.456 17.935 31.476 1.00 1.00 H new ATOM 0 HG22 THR A 52 18.473 19.078 32.840 1.00 1.00 H new ATOM 0 HG23 THR A 52 18.759 19.664 31.185 1.00 1.00 H new ATOM 775 N VAL A 53 20.147 19.797 34.854 1.00 1.00 N ATOM 776 CA VAL A 53 19.333 20.268 35.969 1.00 1.00 C ATOM 777 C VAL A 53 19.826 21.626 36.456 1.00 1.00 C ATOM 778 O VAL A 53 19.035 22.469 36.879 1.00 1.00 O ATOM 779 CB VAL A 53 19.389 19.260 37.119 1.00 1.00 C ATOM 780 CG1 VAL A 53 18.423 19.691 38.224 1.00 1.00 C ATOM 781 CG2 VAL A 53 18.987 17.877 36.603 1.00 1.00 C ATOM 0 H VAL A 53 20.665 18.938 35.038 1.00 1.00 H new ATOM 0 HA VAL A 53 18.304 20.370 35.625 1.00 1.00 H new ATOM 0 HB VAL A 53 20.403 19.220 37.518 1.00 1.00 H new ATOM 0 HG11 VAL A 53 18.463 18.973 39.043 1.00 1.00 H new ATOM 0 HG12 VAL A 53 18.707 20.677 38.592 1.00 1.00 H new ATOM 0 HG13 VAL A 53 17.409 19.731 37.826 1.00 1.00 H new ATOM 0 HG21 VAL A 53 19.026 17.158 37.421 1.00 1.00 H new ATOM 0 HG22 VAL A 53 17.973 17.918 36.204 1.00 1.00 H new ATOM 0 HG23 VAL A 53 19.674 17.569 35.815 1.00 1.00 H new ATOM 791 N PHE A 54 21.138 21.832 36.394 1.00 1.00 N ATOM 792 CA PHE A 54 21.725 23.093 36.832 1.00 1.00 C ATOM 793 C PHE A 54 21.544 24.167 35.765 1.00 1.00 C ATOM 794 O PHE A 54 21.827 25.342 35.998 1.00 1.00 O ATOM 795 CB PHE A 54 23.216 22.902 37.120 1.00 1.00 C ATOM 796 CG PHE A 54 23.878 24.253 37.254 1.00 1.00 C ATOM 797 CD1 PHE A 54 23.773 24.969 38.453 1.00 1.00 C ATOM 798 CD2 PHE A 54 24.599 24.788 36.180 1.00 1.00 C ATOM 799 CE1 PHE A 54 24.388 26.221 38.577 1.00 1.00 C ATOM 800 CE2 PHE A 54 25.213 26.040 36.304 1.00 1.00 C ATOM 801 CZ PHE A 54 25.108 26.756 37.501 1.00 1.00 C ATOM 0 H PHE A 54 21.810 21.148 36.047 1.00 1.00 H new ATOM 0 HA PHE A 54 21.217 23.413 37.742 1.00 1.00 H new ATOM 0 HB2 PHE A 54 23.350 22.327 38.036 1.00 1.00 H new ATOM 0 HB3 PHE A 54 23.683 22.334 36.316 1.00 1.00 H new ATOM 0 HD1 PHE A 54 23.218 24.556 39.282 1.00 1.00 H new ATOM 0 HD2 PHE A 54 24.682 24.235 35.256 1.00 1.00 H new ATOM 0 HE1 PHE A 54 24.307 26.774 39.501 1.00 1.00 H new ATOM 0 HE2 PHE A 54 25.768 26.453 35.475 1.00 1.00 H new ATOM 0 HZ PHE A 54 25.582 27.722 37.596 1.00 1.00 H new ATOM 811 N ARG A 55 21.072 23.756 34.593 1.00 1.00 N ATOM 812 CA ARG A 55 20.856 24.692 33.496 1.00 1.00 C ATOM 813 C ARG A 55 19.385 25.084 33.405 1.00 1.00 C ATOM 814 O ARG A 55 19.049 26.267 33.363 1.00 1.00 O ATOM 815 CB ARG A 55 21.300 24.060 32.175 1.00 1.00 C ATOM 816 CG ARG A 55 22.826 24.099 32.077 1.00 1.00 C ATOM 817 CD ARG A 55 23.253 25.291 31.219 1.00 1.00 C ATOM 818 NE ARG A 55 22.464 26.469 31.564 1.00 1.00 N ATOM 819 CZ ARG A 55 22.888 27.692 31.263 1.00 1.00 C ATOM 820 NH1 ARG A 55 24.027 27.855 30.649 1.00 1.00 N ATOM 821 NH2 ARG A 55 22.164 28.730 31.582 1.00 1.00 N ATOM 0 H ARG A 55 20.833 22.788 34.379 1.00 1.00 H new ATOM 0 HA ARG A 55 21.447 25.588 33.688 1.00 1.00 H new ATOM 0 HB2 ARG A 55 20.948 23.030 32.116 1.00 1.00 H new ATOM 0 HB3 ARG A 55 20.857 24.597 31.336 1.00 1.00 H new ATOM 0 HG2 ARG A 55 23.263 24.179 33.072 1.00 1.00 H new ATOM 0 HG3 ARG A 55 23.197 23.172 31.640 1.00 1.00 H new ATOM 0 HD2 ARG A 55 24.313 25.497 31.371 1.00 1.00 H new ATOM 0 HD3 ARG A 55 23.123 25.054 30.163 1.00 1.00 H new ATOM 0 HE ARG A 55 21.572 26.352 32.044 1.00 1.00 H new ATOM 0 HH11 ARG A 55 24.593 27.044 30.400 1.00 1.00 H new ATOM 0 HH12 ARG A 55 24.352 28.794 30.418 1.00 1.00 H new ATOM 0 HH21 ARG A 55 21.273 28.602 32.062 1.00 1.00 H new ATOM 0 HH22 ARG A 55 22.489 29.669 31.351 1.00 1.00 H new ATOM 835 N LYS A 56 18.512 24.081 33.376 1.00 1.00 N ATOM 836 CA LYS A 56 17.078 24.332 33.292 1.00 1.00 C ATOM 837 C LYS A 56 16.682 25.495 34.196 1.00 1.00 C ATOM 838 O LYS A 56 16.022 26.437 33.759 1.00 1.00 O ATOM 839 CB LYS A 56 16.304 23.077 33.702 1.00 1.00 C ATOM 840 CG LYS A 56 16.218 22.115 32.514 1.00 1.00 C ATOM 841 CD LYS A 56 15.028 22.489 31.625 1.00 1.00 C ATOM 842 CE LYS A 56 13.812 21.646 32.016 1.00 1.00 C ATOM 843 NZ LYS A 56 13.492 21.872 33.454 1.00 1.00 N ATOM 0 H LYS A 56 18.770 23.095 33.409 1.00 1.00 H new ATOM 0 HA LYS A 56 16.833 24.590 32.262 1.00 1.00 H new ATOM 0 HB2 LYS A 56 16.800 22.590 34.542 1.00 1.00 H new ATOM 0 HB3 LYS A 56 15.303 23.348 34.036 1.00 1.00 H new ATOM 0 HG2 LYS A 56 17.141 22.154 31.936 1.00 1.00 H new ATOM 0 HG3 LYS A 56 16.108 21.091 32.871 1.00 1.00 H new ATOM 0 HD2 LYS A 56 14.799 23.549 31.734 1.00 1.00 H new ATOM 0 HD3 LYS A 56 15.277 22.322 30.577 1.00 1.00 H new ATOM 0 HE2 LYS A 56 12.956 21.913 31.396 1.00 1.00 H new ATOM 0 HE3 LYS A 56 14.016 20.590 31.840 1.00 1.00 H new ATOM 0 HZ1 LYS A 56 12.626 21.352 33.703 1.00 1.00 H new ATOM 0 HZ2 LYS A 56 14.280 21.534 34.042 1.00 1.00 H new ATOM 0 HZ3 LYS A 56 13.346 22.888 33.622 1.00 1.00 H new ATOM 857 N LYS A 57 17.090 25.421 35.459 1.00 1.00 N ATOM 858 CA LYS A 57 16.773 26.474 36.417 1.00 1.00 C ATOM 859 C LYS A 57 17.679 27.682 36.206 1.00 1.00 C ATOM 860 O LYS A 57 18.166 28.280 37.165 1.00 1.00 O ATOM 861 CB LYS A 57 16.941 25.950 37.844 1.00 1.00 C ATOM 862 CG LYS A 57 15.918 24.843 38.107 1.00 1.00 C ATOM 863 CD LYS A 57 16.570 23.730 38.929 1.00 1.00 C ATOM 864 CE LYS A 57 15.492 22.767 39.429 1.00 1.00 C ATOM 865 NZ LYS A 57 15.310 22.945 40.899 1.00 1.00 N ATOM 0 H LYS A 57 17.637 24.649 35.841 1.00 1.00 H new ATOM 0 HA LYS A 57 15.738 26.780 36.262 1.00 1.00 H new ATOM 0 HB2 LYS A 57 17.952 25.566 37.985 1.00 1.00 H new ATOM 0 HB3 LYS A 57 16.806 26.762 38.559 1.00 1.00 H new ATOM 0 HG2 LYS A 57 15.058 25.247 38.641 1.00 1.00 H new ATOM 0 HG3 LYS A 57 15.548 24.443 37.163 1.00 1.00 H new ATOM 0 HD2 LYS A 57 17.298 23.193 38.321 1.00 1.00 H new ATOM 0 HD3 LYS A 57 17.112 24.156 39.773 1.00 1.00 H new ATOM 0 HE2 LYS A 57 14.552 22.955 38.910 1.00 1.00 H new ATOM 0 HE3 LYS A 57 15.778 21.738 39.209 1.00 1.00 H new ATOM 0 HZ1 LYS A 57 14.577 22.291 41.240 1.00 1.00 H new ATOM 0 HZ2 LYS A 57 16.207 22.745 41.387 1.00 1.00 H new ATOM 0 HZ3 LYS A 57 15.019 23.924 41.097 1.00 1.00 H new ATOM 879 N GLY A 58 17.901 28.036 34.944 1.00 1.00 N ATOM 880 CA GLY A 58 18.751 29.175 34.618 1.00 1.00 C ATOM 881 C GLY A 58 17.945 30.468 34.596 1.00 1.00 C ATOM 882 O GLY A 58 17.599 30.977 33.530 1.00 1.00 O ATOM 0 H GLY A 58 17.507 27.554 34.136 1.00 1.00 H new ATOM 0 HA2 GLY A 58 19.554 29.255 35.350 1.00 1.00 H new ATOM 0 HA3 GLY A 58 19.220 29.018 33.647 1.00 1.00 H new ATOM 886 N HIS A 59 17.647 30.995 35.779 1.00 1.00 N ATOM 887 CA HIS A 59 16.880 32.231 35.883 1.00 1.00 C ATOM 888 C HIS A 59 17.745 33.432 35.514 1.00 1.00 C ATOM 889 O HIS A 59 17.362 34.254 34.683 1.00 1.00 O ATOM 890 CB HIS A 59 16.351 32.399 37.309 1.00 1.00 C ATOM 891 CG HIS A 59 14.921 31.939 37.370 1.00 1.00 C ATOM 892 ND1 HIS A 59 13.977 32.565 38.170 1.00 1.00 N ATOM 893 CD2 HIS A 59 14.257 30.917 36.738 1.00 1.00 C ATOM 894 CE1 HIS A 59 12.808 31.921 37.999 1.00 1.00 C ATOM 895 NE2 HIS A 59 12.923 30.907 37.136 1.00 1.00 N ATOM 0 H HIS A 59 17.923 30.589 36.673 1.00 1.00 H new ATOM 0 HA HIS A 59 16.041 32.175 35.189 1.00 1.00 H new ATOM 0 HB2 HIS A 59 16.960 31.822 38.005 1.00 1.00 H new ATOM 0 HB3 HIS A 59 16.422 33.443 37.614 1.00 1.00 H new ATOM 0 HD2 HIS A 59 14.702 30.225 36.038 1.00 1.00 H new ATOM 0 HE1 HIS A 59 11.889 32.191 38.498 1.00 1.00 H new ATOM 0 HE2 HIS A 59 12.191 30.264 36.834 1.00 1.00 H new ATOM 903 N HIS A 60 18.914 33.526 36.139 1.00 1.00 N ATOM 904 CA HIS A 60 19.827 34.632 35.870 1.00 1.00 C ATOM 905 C HIS A 60 20.183 34.683 34.386 1.00 1.00 C ATOM 906 O HIS A 60 20.626 33.690 33.810 1.00 1.00 O ATOM 907 CB HIS A 60 21.103 34.469 36.696 1.00 1.00 C ATOM 908 CG HIS A 60 21.123 35.498 37.793 1.00 1.00 C ATOM 909 ND1 HIS A 60 20.225 35.470 38.850 1.00 1.00 N ATOM 910 CD2 HIS A 60 21.927 36.589 38.014 1.00 1.00 C ATOM 911 CE1 HIS A 60 20.506 36.515 39.650 1.00 1.00 C ATOM 912 NE2 HIS A 60 21.535 37.229 39.186 1.00 1.00 N ATOM 0 H HIS A 60 19.250 32.855 36.830 1.00 1.00 H new ATOM 0 HA HIS A 60 19.332 35.563 36.147 1.00 1.00 H new ATOM 0 HB2 HIS A 60 21.148 33.467 37.122 1.00 1.00 H new ATOM 0 HB3 HIS A 60 21.979 34.584 36.058 1.00 1.00 H new ATOM 0 HD2 HIS A 60 22.740 36.903 37.376 1.00 1.00 H new ATOM 0 HE1 HIS A 60 19.966 36.748 40.556 1.00 1.00 H new ATOM 0 HE2 HIS A 60 21.946 38.065 39.602 1.00 1.00 H new ATOM 920 N HIS A 61 19.984 35.845 33.775 1.00 1.00 N ATOM 921 CA HIS A 61 20.287 36.014 32.358 1.00 1.00 C ATOM 922 C HIS A 61 21.791 36.163 32.146 1.00 1.00 C ATOM 923 O HIS A 61 22.387 37.164 32.541 1.00 1.00 O ATOM 924 CB HIS A 61 19.569 37.251 31.814 1.00 1.00 C ATOM 925 CG HIS A 61 18.340 36.824 31.059 1.00 1.00 C ATOM 926 ND1 HIS A 61 18.173 37.089 29.709 1.00 1.00 N ATOM 927 CD2 HIS A 61 17.209 36.152 31.452 1.00 1.00 C ATOM 928 CE1 HIS A 61 16.982 36.583 29.340 1.00 1.00 C ATOM 929 NE2 HIS A 61 16.354 36.000 30.364 1.00 1.00 N ATOM 0 H HIS A 61 19.617 36.679 34.234 1.00 1.00 H new ATOM 0 HA HIS A 61 19.941 35.129 31.824 1.00 1.00 H new ATOM 0 HB2 HIS A 61 19.293 37.915 32.633 1.00 1.00 H new ATOM 0 HB3 HIS A 61 20.235 37.813 31.159 1.00 1.00 H new ATOM 0 HD2 HIS A 61 17.013 35.796 32.452 1.00 1.00 H new ATOM 0 HE1 HIS A 61 16.583 36.641 28.338 1.00 1.00 H new ATOM 0 HE2 HIS A 61 15.443 35.541 30.352 1.00 1.00 H new ATOM 937 N HIS A 62 22.396 35.159 31.520 1.00 1.00 N ATOM 938 CA HIS A 62 23.831 35.189 31.260 1.00 1.00 C ATOM 939 C HIS A 62 24.217 36.470 30.529 1.00 1.00 C ATOM 940 O HIS A 62 24.242 36.510 29.299 1.00 1.00 O ATOM 941 CB HIS A 62 24.235 33.976 30.419 1.00 1.00 C ATOM 942 CG HIS A 62 24.614 32.839 31.327 1.00 1.00 C ATOM 943 ND1 HIS A 62 23.745 31.798 31.611 1.00 1.00 N ATOM 944 CD2 HIS A 62 25.766 32.565 32.022 1.00 1.00 C ATOM 945 CE1 HIS A 62 24.380 30.954 32.443 1.00 1.00 C ATOM 946 NE2 HIS A 62 25.616 31.375 32.726 1.00 1.00 N ATOM 0 H HIS A 62 21.920 34.321 31.186 1.00 1.00 H new ATOM 0 HA HIS A 62 24.355 35.159 32.215 1.00 1.00 H new ATOM 0 HB2 HIS A 62 23.410 33.679 29.771 1.00 1.00 H new ATOM 0 HB3 HIS A 62 25.073 34.232 29.771 1.00 1.00 H new ATOM 0 HD2 HIS A 62 26.654 33.180 32.022 1.00 1.00 H new ATOM 0 HE1 HIS A 62 23.944 30.047 32.835 1.00 1.00 H new ATOM 0 HE2 HIS A 62 26.302 30.921 33.329 1.00 1.00 H new ATOM 954 N HIS A 63 24.516 37.515 31.293 1.00 1.00 N ATOM 955 CA HIS A 63 24.899 38.794 30.706 1.00 1.00 C ATOM 956 C HIS A 63 26.087 38.618 29.767 1.00 1.00 C ATOM 957 O HIS A 63 26.817 37.630 29.853 1.00 1.00 O ATOM 958 CB HIS A 63 25.261 39.789 31.811 1.00 1.00 C ATOM 959 CG HIS A 63 25.068 41.191 31.307 1.00 1.00 C ATOM 960 ND1 HIS A 63 25.814 41.711 30.261 1.00 1.00 N ATOM 961 CD2 HIS A 63 24.216 42.197 31.695 1.00 1.00 C ATOM 962 CE1 HIS A 63 25.402 42.975 30.056 1.00 1.00 C ATOM 963 NE2 HIS A 63 24.429 43.321 30.904 1.00 1.00 N ATOM 0 H HIS A 63 24.501 37.503 32.313 1.00 1.00 H new ATOM 0 HA HIS A 63 24.054 39.178 30.135 1.00 1.00 H new ATOM 0 HB2 HIS A 63 24.637 39.618 32.688 1.00 1.00 H new ATOM 0 HB3 HIS A 63 26.295 39.642 32.122 1.00 1.00 H new ATOM 0 HD2 HIS A 63 23.491 42.126 32.493 1.00 1.00 H new ATOM 0 HE1 HIS A 63 25.808 43.630 29.299 1.00 1.00 H new ATOM 0 HE2 HIS A 63 23.946 44.218 30.959 1.00 1.00 H new ATOM 971 N HIS A 64 26.277 39.582 28.873 1.00 1.00 N ATOM 972 CA HIS A 64 27.381 39.524 27.923 1.00 1.00 C ATOM 973 C HIS A 64 28.714 39.405 28.655 1.00 1.00 C ATOM 974 O HIS A 64 28.910 40.141 29.609 1.00 1.00 O ATOM 975 CB HIS A 64 27.387 40.779 27.050 1.00 1.00 C ATOM 976 CG HIS A 64 28.533 40.710 26.078 1.00 1.00 C ATOM 977 ND1 HIS A 64 28.418 40.091 24.843 1.00 1.00 N ATOM 978 CD2 HIS A 64 29.822 41.177 26.146 1.00 1.00 C ATOM 979 CE1 HIS A 64 29.607 40.202 24.222 1.00 1.00 C ATOM 980 NE2 HIS A 64 30.499 40.854 24.973 1.00 1.00 N ATOM 981 OXT HIS A 64 29.518 38.581 28.253 1.00 1.00 O ATOM 0 H HIS A 64 25.685 40.408 28.786 1.00 1.00 H new ATOM 0 HA HIS A 64 27.246 38.645 27.293 1.00 1.00 H new ATOM 0 HB2 HIS A 64 26.444 40.864 26.511 1.00 1.00 H new ATOM 0 HB3 HIS A 64 27.479 41.668 27.674 1.00 1.00 H new ATOM 0 HD2 HIS A 64 30.246 41.713 26.982 1.00 1.00 H new ATOM 0 HE1 HIS A 64 29.815 39.812 23.237 1.00 1.00 H new ATOM 0 HE2 HIS A 64 31.468 41.069 24.738 1.00 1.00 H new TER 989 HIS A 64