USER MOD reduce.3.24.130724 H: found=0, std=0, add=498, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 501 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: C 18 SER OG : rot -57:sc= -2.51! USER MOD Set 1.2: C 25 SER OG : rot 180:sc= 0.0353 USER MOD Single : C 9 THR OG1 : rot 26:sc= 0.822 USER MOD Single : C 14 TYR OH : rot 180:sc= 0 USER MOD Single : C 16 TYR OH : rot 49:sc= 0.0483 USER MOD Single : C 20 THR OG1 : rot 180:sc= 0.00287 USER MOD Single : C 22 THR OG1 : rot 180:sc= 0 USER MOD Single : C 27 LYS NZ :NH3+ -151:sc= -0.574 (180deg=-2.37!) USER MOD Single : C 28 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0447) USER MOD Single : C 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : C 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : C 37 ASN : amide:sc= -1.73 K(o=-1.7,f=0.069) USER MOD Single : C 38 THR OG1 : rot -3:sc= 1.07 USER MOD Single : C 46 HIS : no HD1:sc= -1.94 X(o=-1.9,f=-1.5) USER MOD Single : C 47 SER OG : rot 180:sc= 0 USER MOD Single : C 49 THR OG1 : rot 180:sc= 0 USER MOD Single : C 50 THR OG1 : rot 180:sc= 0.114 USER MOD Single : C 52 GLN : amide:sc= -0.215 K(o=-0.21,f=-1.2!) USER MOD Single : C 53 THR OG1 : rot 180:sc= 0 USER MOD Single : C 55 TYR OH : rot 180:sc= 0 USER MOD Single : C 58 SER OG : rot 90:sc= -5.99! USER MOD Single : C 59 ASN : amide:sc= -6.49! C(o=-6.5!,f=-17!) USER MOD Single : C 60 TYR OH : rot 25:sc= -1.65! USER MOD Single : C 64 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR C 9 14.196 28.133 -8.905 1.00 0.00 N ATOM 2 CA THR C 9 14.071 28.922 -7.648 1.00 0.00 C ATOM 3 C THR C 9 13.105 28.214 -6.693 1.00 0.00 C ATOM 4 O THR C 9 12.026 28.698 -6.416 1.00 0.00 O ATOM 5 CB THR C 9 13.534 30.318 -7.973 1.00 0.00 C ATOM 6 OG1 THR C 9 13.881 30.657 -9.309 1.00 0.00 O ATOM 7 CG2 THR C 9 14.146 31.338 -7.012 1.00 0.00 C ATOM 0 HA THR C 9 15.050 29.009 -7.176 1.00 0.00 H new ATOM 0 HB THR C 9 12.449 30.325 -7.865 1.00 0.00 H new ATOM 0 HG1 THR C 9 13.997 29.838 -9.835 1.00 0.00 H new ATOM 0 HG21 THR C 9 13.763 32.332 -7.244 1.00 0.00 H new ATOM 0 HG22 THR C 9 13.881 31.077 -5.987 1.00 0.00 H new ATOM 0 HG23 THR C 9 15.231 31.333 -7.119 1.00 0.00 H new ATOM 15 N PHE C 10 13.487 27.071 -6.188 1.00 0.00 N ATOM 16 CA PHE C 10 12.591 26.334 -5.253 1.00 0.00 C ATOM 17 C PHE C 10 13.095 26.515 -3.819 1.00 0.00 C ATOM 18 O PHE C 10 14.115 27.134 -3.584 1.00 0.00 O ATOM 19 CB PHE C 10 12.595 24.845 -5.612 1.00 0.00 C ATOM 20 CG PHE C 10 11.658 24.601 -6.798 1.00 0.00 C ATOM 21 CD1 PHE C 10 11.648 25.472 -7.873 1.00 0.00 C ATOM 22 CD2 PHE C 10 10.806 23.509 -6.810 1.00 0.00 C ATOM 23 CE1 PHE C 10 10.801 25.258 -8.941 1.00 0.00 C ATOM 24 CE2 PHE C 10 9.959 23.297 -7.878 1.00 0.00 C ATOM 25 CZ PHE C 10 9.957 24.171 -8.944 1.00 0.00 C ATOM 0 H PHE C 10 14.380 26.617 -6.383 1.00 0.00 H new ATOM 0 HA PHE C 10 11.577 26.725 -5.334 1.00 0.00 H new ATOM 0 HB2 PHE C 10 13.606 24.523 -5.862 1.00 0.00 H new ATOM 0 HB3 PHE C 10 12.275 24.253 -4.755 1.00 0.00 H new ATOM 0 HD1 PHE C 10 12.309 26.326 -7.876 1.00 0.00 H new ATOM 0 HD2 PHE C 10 10.805 22.820 -5.979 1.00 0.00 H new ATOM 0 HE1 PHE C 10 10.800 25.944 -9.775 1.00 0.00 H new ATOM 0 HE2 PHE C 10 9.296 22.444 -7.879 1.00 0.00 H new ATOM 0 HZ PHE C 10 9.294 24.003 -9.780 1.00 0.00 H new ATOM 35 N VAL C 11 12.390 25.983 -2.858 1.00 0.00 N ATOM 36 CA VAL C 11 12.832 26.128 -1.442 1.00 0.00 C ATOM 37 C VAL C 11 12.825 24.756 -0.764 1.00 0.00 C ATOM 38 O VAL C 11 12.105 23.861 -1.160 1.00 0.00 O ATOM 39 CB VAL C 11 11.878 27.067 -0.702 1.00 0.00 C ATOM 40 CG1 VAL C 11 12.593 27.663 0.512 1.00 0.00 C ATOM 41 CG2 VAL C 11 11.439 28.193 -1.641 1.00 0.00 C ATOM 0 H VAL C 11 11.528 25.455 -2.992 1.00 0.00 H new ATOM 0 HA VAL C 11 13.840 26.542 -1.417 1.00 0.00 H new ATOM 0 HB VAL C 11 11.002 26.510 -0.371 1.00 0.00 H new ATOM 0 HG11 VAL C 11 11.915 28.333 1.041 1.00 0.00 H new ATOM 0 HG12 VAL C 11 12.905 26.861 1.180 1.00 0.00 H new ATOM 0 HG13 VAL C 11 13.469 28.221 0.181 1.00 0.00 H new ATOM 0 HG21 VAL C 11 10.759 28.862 -1.114 1.00 0.00 H new ATOM 0 HG22 VAL C 11 12.314 28.752 -1.973 1.00 0.00 H new ATOM 0 HG23 VAL C 11 10.931 27.768 -2.506 1.00 0.00 H new ATOM 51 N ALA C 12 13.626 24.582 0.253 1.00 0.00 N ATOM 52 CA ALA C 12 13.663 23.267 0.954 1.00 0.00 C ATOM 53 C ALA C 12 12.645 23.262 2.098 1.00 0.00 C ATOM 54 O ALA C 12 12.921 23.718 3.190 1.00 0.00 O ATOM 55 CB ALA C 12 15.065 23.030 1.517 1.00 0.00 C ATOM 0 H ALA C 12 14.255 25.292 0.628 1.00 0.00 H new ATOM 0 HA ALA C 12 13.414 22.475 0.248 1.00 0.00 H new ATOM 0 HB1 ALA C 12 15.093 22.069 2.030 1.00 0.00 H new ATOM 0 HB2 ALA C 12 15.789 23.028 0.702 1.00 0.00 H new ATOM 0 HB3 ALA C 12 15.313 23.824 2.221 1.00 0.00 H new ATOM 61 N LEU C 13 11.469 22.751 1.856 1.00 0.00 N ATOM 62 CA LEU C 13 10.433 22.716 2.928 1.00 0.00 C ATOM 63 C LEU C 13 10.895 21.798 4.059 1.00 0.00 C ATOM 64 O LEU C 13 10.729 22.100 5.224 1.00 0.00 O ATOM 65 CB LEU C 13 9.120 22.184 2.349 1.00 0.00 C ATOM 66 CG LEU C 13 8.450 23.276 1.511 1.00 0.00 C ATOM 67 CD1 LEU C 13 7.063 22.803 1.075 1.00 0.00 C ATOM 68 CD2 LEU C 13 8.316 24.550 2.346 1.00 0.00 C ATOM 0 H LEU C 13 11.180 22.356 0.961 1.00 0.00 H new ATOM 0 HA LEU C 13 10.282 23.723 3.317 1.00 0.00 H new ATOM 0 HB2 LEU C 13 9.312 21.305 1.734 1.00 0.00 H new ATOM 0 HB3 LEU C 13 8.456 21.870 3.154 1.00 0.00 H new ATOM 0 HG LEU C 13 9.057 23.483 0.630 1.00 0.00 H new ATOM 0 HD11 LEU C 13 6.585 23.580 0.478 1.00 0.00 H new ATOM 0 HD12 LEU C 13 7.159 21.895 0.480 1.00 0.00 H new ATOM 0 HD13 LEU C 13 6.455 22.597 1.956 1.00 0.00 H new ATOM 0 HD21 LEU C 13 7.839 25.328 1.749 1.00 0.00 H new ATOM 0 HD22 LEU C 13 7.709 24.345 3.228 1.00 0.00 H new ATOM 0 HD23 LEU C 13 9.305 24.887 2.657 1.00 0.00 H new ATOM 80 N TYR C 14 11.474 20.677 3.726 1.00 0.00 N ATOM 81 CA TYR C 14 11.944 19.743 4.786 1.00 0.00 C ATOM 82 C TYR C 14 13.436 19.460 4.602 1.00 0.00 C ATOM 83 O TYR C 14 13.912 19.288 3.497 1.00 0.00 O ATOM 84 CB TYR C 14 11.156 18.437 4.692 1.00 0.00 C ATOM 85 CG TYR C 14 9.708 18.703 5.099 1.00 0.00 C ATOM 86 CD1 TYR C 14 8.951 19.623 4.409 1.00 0.00 C ATOM 87 CD2 TYR C 14 9.147 18.042 6.171 1.00 0.00 C ATOM 88 CE1 TYR C 14 7.651 19.887 4.785 1.00 0.00 C ATOM 89 CE2 TYR C 14 7.845 18.303 6.548 1.00 0.00 C ATOM 90 CZ TYR C 14 7.086 19.228 5.857 1.00 0.00 C ATOM 91 OH TYR C 14 5.786 19.490 6.235 1.00 0.00 O ATOM 0 H TYR C 14 11.641 20.369 2.768 1.00 0.00 H new ATOM 0 HA TYR C 14 11.786 20.195 5.765 1.00 0.00 H new ATOM 0 HB2 TYR C 14 11.196 18.045 3.676 1.00 0.00 H new ATOM 0 HB3 TYR C 14 11.598 17.682 5.343 1.00 0.00 H new ATOM 0 HD1 TYR C 14 9.380 20.143 3.565 1.00 0.00 H new ATOM 0 HD2 TYR C 14 9.729 17.316 6.719 1.00 0.00 H new ATOM 0 HE1 TYR C 14 7.071 20.615 4.237 1.00 0.00 H new ATOM 0 HE2 TYR C 14 7.416 17.780 7.390 1.00 0.00 H new ATOM 0 HH TYR C 14 5.552 18.935 7.008 1.00 0.00 H new ATOM 101 N ASP C 15 14.177 19.415 5.675 1.00 0.00 N ATOM 102 CA ASP C 15 15.637 19.143 5.560 1.00 0.00 C ATOM 103 C ASP C 15 15.851 17.915 4.673 1.00 0.00 C ATOM 104 O ASP C 15 14.911 17.307 4.202 1.00 0.00 O ATOM 105 CB ASP C 15 16.220 18.872 6.948 1.00 0.00 C ATOM 106 CG ASP C 15 15.663 19.889 7.947 1.00 0.00 C ATOM 107 OD1 ASP C 15 16.251 20.949 8.073 1.00 0.00 O ATOM 108 OD2 ASP C 15 14.657 19.589 8.568 1.00 0.00 O ATOM 0 H ASP C 15 13.835 19.555 6.626 1.00 0.00 H new ATOM 0 HA ASP C 15 16.135 20.008 5.121 1.00 0.00 H new ATOM 0 HB2 ASP C 15 15.971 17.860 7.267 1.00 0.00 H new ATOM 0 HB3 ASP C 15 17.308 18.937 6.916 1.00 0.00 H new ATOM 113 N TYR C 16 17.079 17.541 4.445 1.00 0.00 N ATOM 114 CA TYR C 16 17.341 16.351 3.588 1.00 0.00 C ATOM 115 C TYR C 16 18.703 15.753 3.941 1.00 0.00 C ATOM 116 O TYR C 16 19.724 16.404 3.841 1.00 0.00 O ATOM 117 CB TYR C 16 17.336 16.768 2.118 1.00 0.00 C ATOM 118 CG TYR C 16 17.710 15.566 1.251 1.00 0.00 C ATOM 119 CD1 TYR C 16 16.865 14.480 1.160 1.00 0.00 C ATOM 120 CD2 TYR C 16 18.899 15.550 0.550 1.00 0.00 C ATOM 121 CE1 TYR C 16 17.203 13.393 0.380 1.00 0.00 C ATOM 122 CE2 TYR C 16 19.238 14.462 -0.229 1.00 0.00 C ATOM 123 CZ TYR C 16 18.392 13.376 -0.320 1.00 0.00 C ATOM 124 OH TYR C 16 18.730 12.288 -1.100 1.00 0.00 O ATOM 0 H TYR C 16 17.909 18.005 4.813 1.00 0.00 H new ATOM 0 HA TYR C 16 16.563 15.607 3.758 1.00 0.00 H new ATOM 0 HB2 TYR C 16 16.351 17.141 1.837 1.00 0.00 H new ATOM 0 HB3 TYR C 16 18.043 17.582 1.956 1.00 0.00 H new ATOM 0 HD1 TYR C 16 15.932 14.480 1.703 1.00 0.00 H new ATOM 0 HD2 TYR C 16 19.569 16.395 0.611 1.00 0.00 H new ATOM 0 HE1 TYR C 16 16.532 12.549 0.317 1.00 0.00 H new ATOM 0 HE2 TYR C 16 20.172 14.461 -0.771 1.00 0.00 H new ATOM 0 HH TYR C 16 17.974 12.052 -1.677 1.00 0.00 H new ATOM 134 N GLU C 17 18.721 14.516 4.353 1.00 0.00 N ATOM 135 CA GLU C 17 20.013 13.867 4.714 1.00 0.00 C ATOM 136 C GLU C 17 20.353 12.807 3.664 1.00 0.00 C ATOM 137 O GLU C 17 20.029 11.646 3.812 1.00 0.00 O ATOM 138 CB GLU C 17 19.888 13.206 6.089 1.00 0.00 C ATOM 139 CG GLU C 17 18.447 12.736 6.307 1.00 0.00 C ATOM 140 CD GLU C 17 17.589 13.917 6.768 1.00 0.00 C ATOM 141 OE1 GLU C 17 18.159 14.944 7.099 1.00 0.00 O ATOM 142 OE2 GLU C 17 16.377 13.775 6.783 1.00 0.00 O ATOM 0 H GLU C 17 17.896 13.925 4.456 1.00 0.00 H new ATOM 0 HA GLU C 17 20.804 14.617 4.747 1.00 0.00 H new ATOM 0 HB2 GLU C 17 20.571 12.360 6.160 1.00 0.00 H new ATOM 0 HB3 GLU C 17 20.173 13.912 6.870 1.00 0.00 H new ATOM 0 HG2 GLU C 17 18.045 12.320 5.383 1.00 0.00 H new ATOM 0 HG3 GLU C 17 18.421 11.941 7.052 1.00 0.00 H new ATOM 149 N SER C 18 21.002 13.201 2.602 1.00 0.00 N ATOM 150 CA SER C 18 21.364 12.220 1.540 1.00 0.00 C ATOM 151 C SER C 18 21.881 10.931 2.181 1.00 0.00 C ATOM 152 O SER C 18 22.189 10.888 3.356 1.00 0.00 O ATOM 153 CB SER C 18 22.455 12.817 0.649 1.00 0.00 C ATOM 154 OG SER C 18 22.426 14.233 0.748 1.00 0.00 O ATOM 0 H SER C 18 21.297 14.161 2.424 1.00 0.00 H new ATOM 0 HA SER C 18 20.482 11.995 0.940 1.00 0.00 H new ATOM 0 HB2 SER C 18 23.432 12.441 0.951 1.00 0.00 H new ATOM 0 HB3 SER C 18 22.302 12.511 -0.386 1.00 0.00 H new ATOM 0 HG SER C 18 21.538 14.560 0.495 1.00 0.00 H new ATOM 160 N ARG C 19 21.978 9.878 1.416 1.00 0.00 N ATOM 161 CA ARG C 19 22.473 8.590 1.978 1.00 0.00 C ATOM 162 C ARG C 19 23.695 8.126 1.185 1.00 0.00 C ATOM 163 O ARG C 19 24.607 7.527 1.723 1.00 0.00 O ATOM 164 CB ARG C 19 21.371 7.533 1.882 1.00 0.00 C ATOM 165 CG ARG C 19 20.997 7.059 3.288 1.00 0.00 C ATOM 166 CD ARG C 19 20.402 5.651 3.209 1.00 0.00 C ATOM 167 NE ARG C 19 19.327 5.624 2.177 1.00 0.00 N ATOM 168 CZ ARG C 19 18.914 4.487 1.687 1.00 0.00 C ATOM 169 NH1 ARG C 19 19.445 3.365 2.095 1.00 0.00 N ATOM 170 NH2 ARG C 19 17.971 4.471 0.786 1.00 0.00 N ATOM 0 H ARG C 19 21.736 9.854 0.426 1.00 0.00 H new ATOM 0 HA ARG C 19 22.749 8.732 3.023 1.00 0.00 H new ATOM 0 HB2 ARG C 19 20.496 7.948 1.382 1.00 0.00 H new ATOM 0 HB3 ARG C 19 21.712 6.690 1.281 1.00 0.00 H new ATOM 0 HG2 ARG C 19 21.878 7.058 3.930 1.00 0.00 H new ATOM 0 HG3 ARG C 19 20.278 7.745 3.736 1.00 0.00 H new ATOM 0 HD2 ARG C 19 21.180 4.929 2.959 1.00 0.00 H new ATOM 0 HD3 ARG C 19 19.998 5.360 4.179 1.00 0.00 H new ATOM 0 HE ARG C 19 18.912 6.498 1.852 1.00 0.00 H new ATOM 0 HH11 ARG C 19 20.184 3.376 2.798 1.00 0.00 H new ATOM 0 HH12 ARG C 19 19.120 2.478 1.711 1.00 0.00 H new ATOM 0 HH21 ARG C 19 17.557 5.346 0.465 1.00 0.00 H new ATOM 0 HH22 ARG C 19 17.647 3.583 0.402 1.00 0.00 H new ATOM 184 N THR C 20 23.723 8.397 -0.091 1.00 0.00 N ATOM 185 CA THR C 20 24.887 7.970 -0.919 1.00 0.00 C ATOM 186 C THR C 20 25.812 9.166 -1.157 1.00 0.00 C ATOM 187 O THR C 20 25.559 10.259 -0.693 1.00 0.00 O ATOM 188 CB THR C 20 24.389 7.436 -2.266 1.00 0.00 C ATOM 189 OG1 THR C 20 22.972 7.344 -2.241 1.00 0.00 O ATOM 190 CG2 THR C 20 24.987 6.053 -2.521 1.00 0.00 C ATOM 0 H THR C 20 22.990 8.896 -0.596 1.00 0.00 H new ATOM 0 HA THR C 20 25.434 7.185 -0.396 1.00 0.00 H new ATOM 0 HB THR C 20 24.696 8.114 -3.062 1.00 0.00 H new ATOM 0 HG1 THR C 20 22.651 7.004 -3.102 1.00 0.00 H new ATOM 0 HG21 THR C 20 24.632 5.674 -3.479 1.00 0.00 H new ATOM 0 HG22 THR C 20 26.074 6.125 -2.539 1.00 0.00 H new ATOM 0 HG23 THR C 20 24.682 5.372 -1.726 1.00 0.00 H new ATOM 198 N GLU C 21 26.884 8.967 -1.876 1.00 0.00 N ATOM 199 CA GLU C 21 27.823 10.093 -2.141 1.00 0.00 C ATOM 200 C GLU C 21 27.408 10.817 -3.425 1.00 0.00 C ATOM 201 O GLU C 21 28.226 11.125 -4.268 1.00 0.00 O ATOM 202 CB GLU C 21 29.243 9.544 -2.304 1.00 0.00 C ATOM 203 CG GLU C 21 30.136 10.097 -1.191 1.00 0.00 C ATOM 204 CD GLU C 21 31.215 9.069 -0.844 1.00 0.00 C ATOM 205 OE1 GLU C 21 31.547 8.273 -1.708 1.00 0.00 O ATOM 206 OE2 GLU C 21 31.690 9.094 0.280 1.00 0.00 O ATOM 0 H GLU C 21 27.149 8.074 -2.291 1.00 0.00 H new ATOM 0 HA GLU C 21 27.794 10.792 -1.305 1.00 0.00 H new ATOM 0 HB2 GLU C 21 29.230 8.455 -2.266 1.00 0.00 H new ATOM 0 HB3 GLU C 21 29.643 9.824 -3.278 1.00 0.00 H new ATOM 0 HG2 GLU C 21 30.598 11.031 -1.511 1.00 0.00 H new ATOM 0 HG3 GLU C 21 29.537 10.324 -0.309 1.00 0.00 H new ATOM 213 N THR C 22 26.141 11.089 -3.580 1.00 0.00 N ATOM 214 CA THR C 22 25.674 11.791 -4.809 1.00 0.00 C ATOM 215 C THR C 22 24.792 12.977 -4.415 1.00 0.00 C ATOM 216 O THR C 22 25.142 14.122 -4.626 1.00 0.00 O ATOM 217 CB THR C 22 24.866 10.824 -5.674 1.00 0.00 C ATOM 218 OG1 THR C 22 25.593 9.614 -5.836 1.00 0.00 O ATOM 219 CG2 THR C 22 24.611 11.456 -7.043 1.00 0.00 C ATOM 0 H THR C 22 25.409 10.856 -2.909 1.00 0.00 H new ATOM 0 HA THR C 22 26.537 12.149 -5.371 1.00 0.00 H new ATOM 0 HB THR C 22 23.913 10.612 -5.190 1.00 0.00 H new ATOM 0 HG1 THR C 22 25.075 8.993 -6.389 1.00 0.00 H new ATOM 0 HG21 THR C 22 24.035 10.767 -7.660 1.00 0.00 H new ATOM 0 HG22 THR C 22 24.053 12.384 -6.917 1.00 0.00 H new ATOM 0 HG23 THR C 22 25.563 11.669 -7.529 1.00 0.00 H new ATOM 227 N ASP C 23 23.649 12.713 -3.843 1.00 0.00 N ATOM 228 CA ASP C 23 22.746 13.826 -3.437 1.00 0.00 C ATOM 229 C ASP C 23 23.315 14.516 -2.196 1.00 0.00 C ATOM 230 O ASP C 23 23.793 13.876 -1.281 1.00 0.00 O ATOM 231 CB ASP C 23 21.353 13.272 -3.118 1.00 0.00 C ATOM 232 CG ASP C 23 21.080 12.036 -3.979 1.00 0.00 C ATOM 233 OD1 ASP C 23 21.680 11.928 -5.035 1.00 0.00 O ATOM 234 OD2 ASP C 23 20.275 11.217 -3.565 1.00 0.00 O ATOM 0 H ASP C 23 23.302 11.776 -3.640 1.00 0.00 H new ATOM 0 HA ASP C 23 22.670 14.545 -4.253 1.00 0.00 H new ATOM 0 HB2 ASP C 23 21.287 13.013 -2.061 1.00 0.00 H new ATOM 0 HB3 ASP C 23 20.596 14.033 -3.307 1.00 0.00 H new ATOM 239 N LEU C 24 23.264 15.819 -2.157 1.00 0.00 N ATOM 240 CA LEU C 24 23.802 16.552 -0.977 1.00 0.00 C ATOM 241 C LEU C 24 22.689 16.728 0.057 1.00 0.00 C ATOM 242 O LEU C 24 21.526 16.516 -0.226 1.00 0.00 O ATOM 243 CB LEU C 24 24.309 17.928 -1.416 1.00 0.00 C ATOM 244 CG LEU C 24 25.144 17.782 -2.690 1.00 0.00 C ATOM 245 CD1 LEU C 24 24.655 18.783 -3.738 1.00 0.00 C ATOM 246 CD2 LEU C 24 26.615 18.058 -2.369 1.00 0.00 C ATOM 0 H LEU C 24 22.873 16.408 -2.892 1.00 0.00 H new ATOM 0 HA LEU C 24 24.624 15.986 -0.540 1.00 0.00 H new ATOM 0 HB2 LEU C 24 23.467 18.597 -1.595 1.00 0.00 H new ATOM 0 HB3 LEU C 24 24.910 18.376 -0.624 1.00 0.00 H new ATOM 0 HG LEU C 24 25.040 16.769 -3.079 1.00 0.00 H new ATOM 0 HD11 LEU C 24 25.250 18.679 -4.646 1.00 0.00 H new ATOM 0 HD12 LEU C 24 23.607 18.588 -3.966 1.00 0.00 H new ATOM 0 HD13 LEU C 24 24.759 19.796 -3.350 1.00 0.00 H new ATOM 0 HD21 LEU C 24 27.211 17.954 -3.276 1.00 0.00 H new ATOM 0 HD22 LEU C 24 26.719 19.071 -1.980 1.00 0.00 H new ATOM 0 HD23 LEU C 24 26.964 17.345 -1.622 1.00 0.00 H new ATOM 258 N SER C 25 23.033 17.110 1.255 1.00 0.00 N ATOM 259 CA SER C 25 21.993 17.298 2.304 1.00 0.00 C ATOM 260 C SER C 25 21.675 18.788 2.440 1.00 0.00 C ATOM 261 O SER C 25 22.549 19.627 2.358 1.00 0.00 O ATOM 262 CB SER C 25 22.518 16.764 3.638 1.00 0.00 C ATOM 263 OG SER C 25 23.835 16.260 3.462 1.00 0.00 O ATOM 0 H SER C 25 23.990 17.300 1.553 1.00 0.00 H new ATOM 0 HA SER C 25 21.089 16.757 2.026 1.00 0.00 H new ATOM 0 HB2 SER C 25 22.518 17.558 4.385 1.00 0.00 H new ATOM 0 HB3 SER C 25 21.863 15.976 4.010 1.00 0.00 H new ATOM 0 HG SER C 25 24.172 15.920 4.317 1.00 0.00 H new ATOM 269 N PHE C 26 20.431 19.125 2.643 1.00 0.00 N ATOM 270 CA PHE C 26 20.067 20.564 2.783 1.00 0.00 C ATOM 271 C PHE C 26 19.037 20.727 3.902 1.00 0.00 C ATOM 272 O PHE C 26 18.045 20.028 3.954 1.00 0.00 O ATOM 273 CB PHE C 26 19.483 21.081 1.465 1.00 0.00 C ATOM 274 CG PHE C 26 18.202 20.318 1.128 1.00 0.00 C ATOM 275 CD1 PHE C 26 16.992 20.720 1.661 1.00 0.00 C ATOM 276 CD2 PHE C 26 18.234 19.228 0.278 1.00 0.00 C ATOM 277 CE1 PHE C 26 15.831 20.043 1.349 1.00 0.00 C ATOM 278 CE2 PHE C 26 17.071 18.551 -0.035 1.00 0.00 C ATOM 279 CZ PHE C 26 15.870 18.960 0.500 1.00 0.00 C ATOM 0 H PHE C 26 19.653 18.469 2.718 1.00 0.00 H new ATOM 0 HA PHE C 26 20.960 21.138 3.029 1.00 0.00 H new ATOM 0 HB2 PHE C 26 19.271 22.147 1.545 1.00 0.00 H new ATOM 0 HB3 PHE C 26 20.211 20.960 0.662 1.00 0.00 H new ATOM 0 HD1 PHE C 26 16.955 21.570 2.326 1.00 0.00 H new ATOM 0 HD2 PHE C 26 19.174 18.904 -0.144 1.00 0.00 H new ATOM 0 HE1 PHE C 26 14.890 20.363 1.772 1.00 0.00 H new ATOM 0 HE2 PHE C 26 17.104 17.700 -0.700 1.00 0.00 H new ATOM 0 HZ PHE C 26 14.960 18.432 0.254 1.00 0.00 H new ATOM 289 N LYS C 27 19.268 21.648 4.800 1.00 0.00 N ATOM 290 CA LYS C 27 18.306 21.861 5.919 1.00 0.00 C ATOM 291 C LYS C 27 17.121 22.695 5.430 1.00 0.00 C ATOM 292 O LYS C 27 16.978 22.960 4.253 1.00 0.00 O ATOM 293 CB LYS C 27 19.010 22.598 7.060 1.00 0.00 C ATOM 294 CG LYS C 27 20.206 21.775 7.541 1.00 0.00 C ATOM 295 CD LYS C 27 20.307 21.864 9.066 1.00 0.00 C ATOM 296 CE LYS C 27 21.114 20.677 9.594 1.00 0.00 C ATOM 297 NZ LYS C 27 20.661 19.429 8.919 1.00 0.00 N ATOM 0 H LYS C 27 20.082 22.262 4.806 1.00 0.00 H new ATOM 0 HA LYS C 27 17.945 20.895 6.273 1.00 0.00 H new ATOM 0 HB2 LYS C 27 19.343 23.579 6.722 1.00 0.00 H new ATOM 0 HB3 LYS C 27 18.315 22.764 7.883 1.00 0.00 H new ATOM 0 HG2 LYS C 27 20.093 20.735 7.233 1.00 0.00 H new ATOM 0 HG3 LYS C 27 21.123 22.145 7.083 1.00 0.00 H new ATOM 0 HD2 LYS C 27 20.785 22.800 9.355 1.00 0.00 H new ATOM 0 HD3 LYS C 27 19.310 21.865 9.508 1.00 0.00 H new ATOM 0 HE2 LYS C 27 22.177 20.836 9.412 1.00 0.00 H new ATOM 0 HE3 LYS C 27 20.985 20.587 10.673 1.00 0.00 H new ATOM 0 HZ1 LYS C 27 20.804 18.619 9.555 1.00 0.00 H new ATOM 0 HZ2 LYS C 27 19.651 19.509 8.682 1.00 0.00 H new ATOM 0 HZ3 LYS C 27 21.211 19.287 8.048 1.00 0.00 H new ATOM 311 N LYS C 28 16.271 23.113 6.329 1.00 0.00 N ATOM 312 CA LYS C 28 15.093 23.932 5.923 1.00 0.00 C ATOM 313 C LYS C 28 15.522 25.389 5.736 1.00 0.00 C ATOM 314 O LYS C 28 16.358 25.898 6.455 1.00 0.00 O ATOM 315 CB LYS C 28 14.020 23.851 7.013 1.00 0.00 C ATOM 316 CG LYS C 28 12.944 24.907 6.753 1.00 0.00 C ATOM 317 CD LYS C 28 11.996 24.976 7.953 1.00 0.00 C ATOM 318 CE LYS C 28 10.799 25.862 7.607 1.00 0.00 C ATOM 319 NZ LYS C 28 9.833 25.091 6.775 1.00 0.00 N ATOM 0 H LYS C 28 16.342 22.922 7.328 1.00 0.00 H new ATOM 0 HA LYS C 28 14.690 23.551 4.985 1.00 0.00 H new ATOM 0 HB2 LYS C 28 13.573 22.857 7.024 1.00 0.00 H new ATOM 0 HB3 LYS C 28 14.470 24.009 7.993 1.00 0.00 H new ATOM 0 HG2 LYS C 28 13.407 25.880 6.585 1.00 0.00 H new ATOM 0 HG3 LYS C 28 12.387 24.659 5.850 1.00 0.00 H new ATOM 0 HD2 LYS C 28 11.656 23.975 8.220 1.00 0.00 H new ATOM 0 HD3 LYS C 28 12.520 25.377 8.821 1.00 0.00 H new ATOM 0 HE2 LYS C 28 10.314 26.208 8.520 1.00 0.00 H new ATOM 0 HE3 LYS C 28 11.133 26.748 7.068 1.00 0.00 H new ATOM 0 HZ1 LYS C 28 8.948 25.630 6.681 1.00 0.00 H new ATOM 0 HZ2 LYS C 28 10.240 24.928 5.832 1.00 0.00 H new ATOM 0 HZ3 LYS C 28 9.635 24.177 7.230 1.00 0.00 H new ATOM 333 N GLY C 29 14.952 26.065 4.775 1.00 0.00 N ATOM 334 CA GLY C 29 15.327 27.487 4.542 1.00 0.00 C ATOM 335 C GLY C 29 16.368 27.565 3.424 1.00 0.00 C ATOM 336 O GLY C 29 16.591 28.609 2.842 1.00 0.00 O ATOM 0 H GLY C 29 14.244 25.693 4.142 1.00 0.00 H new ATOM 0 HA2 GLY C 29 14.444 28.067 4.272 1.00 0.00 H new ATOM 0 HA3 GLY C 29 15.728 27.923 5.457 1.00 0.00 H new ATOM 340 N GLU C 30 17.006 26.469 3.116 1.00 0.00 N ATOM 341 CA GLU C 30 18.030 26.484 2.036 1.00 0.00 C ATOM 342 C GLU C 30 17.336 26.480 0.671 1.00 0.00 C ATOM 343 O GLU C 30 16.494 25.647 0.394 1.00 0.00 O ATOM 344 CB GLU C 30 18.921 25.245 2.158 1.00 0.00 C ATOM 345 CG GLU C 30 20.004 25.289 1.077 1.00 0.00 C ATOM 346 CD GLU C 30 21.254 24.558 1.572 1.00 0.00 C ATOM 347 OE1 GLU C 30 21.493 24.578 2.768 1.00 0.00 O ATOM 348 OE2 GLU C 30 21.952 23.993 0.746 1.00 0.00 O ATOM 0 H GLU C 30 16.862 25.565 3.566 1.00 0.00 H new ATOM 0 HA GLU C 30 18.641 27.382 2.130 1.00 0.00 H new ATOM 0 HB2 GLU C 30 19.379 25.209 3.146 1.00 0.00 H new ATOM 0 HB3 GLU C 30 18.322 24.341 2.051 1.00 0.00 H new ATOM 0 HG2 GLU C 30 19.637 24.824 0.162 1.00 0.00 H new ATOM 0 HG3 GLU C 30 20.248 26.323 0.834 1.00 0.00 H new ATOM 355 N ARG C 31 17.679 27.406 -0.181 1.00 0.00 N ATOM 356 CA ARG C 31 17.039 27.455 -1.527 1.00 0.00 C ATOM 357 C ARG C 31 17.826 26.566 -2.492 1.00 0.00 C ATOM 358 O ARG C 31 19.011 26.356 -2.331 1.00 0.00 O ATOM 359 CB ARG C 31 17.041 28.896 -2.043 1.00 0.00 C ATOM 360 CG ARG C 31 16.584 29.839 -0.929 1.00 0.00 C ATOM 361 CD ARG C 31 16.527 31.271 -1.464 1.00 0.00 C ATOM 362 NE ARG C 31 15.111 31.636 -1.759 1.00 0.00 N ATOM 363 CZ ARG C 31 14.841 32.704 -2.460 1.00 0.00 C ATOM 364 NH1 ARG C 31 15.810 33.460 -2.905 1.00 0.00 N ATOM 365 NH2 ARG C 31 13.601 33.019 -2.716 1.00 0.00 N ATOM 0 H ARG C 31 18.374 28.131 -0.004 1.00 0.00 H new ATOM 0 HA ARG C 31 16.011 27.099 -1.456 1.00 0.00 H new ATOM 0 HB2 ARG C 31 18.041 29.171 -2.379 1.00 0.00 H new ATOM 0 HB3 ARG C 31 16.379 28.986 -2.904 1.00 0.00 H new ATOM 0 HG2 ARG C 31 15.603 29.537 -0.562 1.00 0.00 H new ATOM 0 HG3 ARG C 31 17.271 29.782 -0.085 1.00 0.00 H new ATOM 0 HD2 ARG C 31 16.947 31.961 -0.732 1.00 0.00 H new ATOM 0 HD3 ARG C 31 17.132 31.358 -2.367 1.00 0.00 H new ATOM 0 HE ARG C 31 14.352 31.050 -1.412 1.00 0.00 H new ATOM 0 HH11 ARG C 31 16.780 33.216 -2.705 1.00 0.00 H new ATOM 0 HH12 ARG C 31 15.596 34.294 -3.452 1.00 0.00 H new ATOM 0 HH21 ARG C 31 12.843 32.431 -2.369 1.00 0.00 H new ATOM 0 HH22 ARG C 31 13.389 33.853 -3.264 1.00 0.00 H new ATOM 379 N LEU C 32 17.176 26.042 -3.494 1.00 0.00 N ATOM 380 CA LEU C 32 17.887 25.167 -4.469 1.00 0.00 C ATOM 381 C LEU C 32 17.400 25.484 -5.884 1.00 0.00 C ATOM 382 O LEU C 32 16.321 26.011 -6.076 1.00 0.00 O ATOM 383 CB LEU C 32 17.595 23.700 -4.145 1.00 0.00 C ATOM 384 CG LEU C 32 18.121 23.372 -2.747 1.00 0.00 C ATOM 385 CD1 LEU C 32 16.952 22.981 -1.840 1.00 0.00 C ATOM 386 CD2 LEU C 32 19.110 22.208 -2.835 1.00 0.00 C ATOM 0 H LEU C 32 16.183 26.182 -3.680 1.00 0.00 H new ATOM 0 HA LEU C 32 18.960 25.346 -4.405 1.00 0.00 H new ATOM 0 HB2 LEU C 32 16.522 23.512 -4.195 1.00 0.00 H new ATOM 0 HB3 LEU C 32 18.067 23.052 -4.884 1.00 0.00 H new ATOM 0 HG LEU C 32 18.624 24.246 -2.334 1.00 0.00 H new ATOM 0 HD11 LEU C 32 17.327 22.747 -0.844 1.00 0.00 H new ATOM 0 HD12 LEU C 32 16.247 23.810 -1.777 1.00 0.00 H new ATOM 0 HD13 LEU C 32 16.448 22.107 -2.252 1.00 0.00 H new ATOM 0 HD21 LEU C 32 19.485 21.974 -1.839 1.00 0.00 H new ATOM 0 HD22 LEU C 32 18.607 21.334 -3.248 1.00 0.00 H new ATOM 0 HD23 LEU C 32 19.943 22.486 -3.481 1.00 0.00 H new ATOM 398 N GLN C 33 18.182 25.166 -6.879 1.00 0.00 N ATOM 399 CA GLN C 33 17.759 25.451 -8.278 1.00 0.00 C ATOM 400 C GLN C 33 17.440 24.137 -8.996 1.00 0.00 C ATOM 401 O GLN C 33 18.321 23.445 -9.464 1.00 0.00 O ATOM 402 CB GLN C 33 18.886 26.175 -9.016 1.00 0.00 C ATOM 403 CG GLN C 33 18.347 26.758 -10.324 1.00 0.00 C ATOM 404 CD GLN C 33 19.494 26.918 -11.322 1.00 0.00 C ATOM 405 OE1 GLN C 33 19.447 26.383 -12.411 1.00 0.00 O ATOM 406 NE2 GLN C 33 20.531 27.640 -10.994 1.00 0.00 N ATOM 0 H GLN C 33 19.095 24.721 -6.783 1.00 0.00 H new ATOM 0 HA GLN C 33 16.870 26.081 -8.265 1.00 0.00 H new ATOM 0 HB2 GLN C 33 19.292 26.970 -8.391 1.00 0.00 H new ATOM 0 HB3 GLN C 33 19.703 25.483 -9.223 1.00 0.00 H new ATOM 0 HG2 GLN C 33 17.580 26.103 -10.737 1.00 0.00 H new ATOM 0 HG3 GLN C 33 17.876 27.723 -10.137 1.00 0.00 H new ATOM 0 HE21 GLN C 33 20.571 28.090 -10.079 1.00 0.00 H new ATOM 0 HE22 GLN C 33 21.302 27.755 -11.652 1.00 0.00 H new ATOM 415 N ILE C 34 16.184 23.791 -9.085 1.00 0.00 N ATOM 416 CA ILE C 34 15.802 22.523 -9.770 1.00 0.00 C ATOM 417 C ILE C 34 16.623 22.366 -11.052 1.00 0.00 C ATOM 418 O ILE C 34 17.036 23.334 -11.658 1.00 0.00 O ATOM 419 CB ILE C 34 14.312 22.563 -10.116 1.00 0.00 C ATOM 420 CG1 ILE C 34 13.499 22.847 -8.850 1.00 0.00 C ATOM 421 CG2 ILE C 34 13.887 21.214 -10.699 1.00 0.00 C ATOM 422 CD1 ILE C 34 13.972 21.925 -7.723 1.00 0.00 C ATOM 0 H ILE C 34 15.405 24.333 -8.712 1.00 0.00 H new ATOM 0 HA ILE C 34 16.000 21.678 -9.110 1.00 0.00 H new ATOM 0 HB ILE C 34 14.132 23.350 -10.848 1.00 0.00 H new ATOM 0 HG12 ILE C 34 13.617 23.890 -8.555 1.00 0.00 H new ATOM 0 HG13 ILE C 34 12.438 22.689 -9.043 1.00 0.00 H new ATOM 0 HG21 ILE C 34 12.826 21.242 -10.946 1.00 0.00 H new ATOM 0 HG22 ILE C 34 14.464 21.010 -11.601 1.00 0.00 H new ATOM 0 HG23 ILE C 34 14.068 20.428 -9.966 1.00 0.00 H new ATOM 0 HD11 ILE C 34 13.394 22.126 -6.821 1.00 0.00 H new ATOM 0 HD12 ILE C 34 13.831 20.886 -8.020 1.00 0.00 H new ATOM 0 HD13 ILE C 34 15.028 22.106 -7.524 1.00 0.00 H new ATOM 434 N VAL C 35 16.864 21.153 -11.472 1.00 0.00 N ATOM 435 CA VAL C 35 17.660 20.939 -12.714 1.00 0.00 C ATOM 436 C VAL C 35 16.731 20.552 -13.865 1.00 0.00 C ATOM 437 O VAL C 35 16.852 21.050 -14.966 1.00 0.00 O ATOM 438 CB VAL C 35 18.678 19.819 -12.482 1.00 0.00 C ATOM 439 CG1 VAL C 35 19.353 19.462 -13.807 1.00 0.00 C ATOM 440 CG2 VAL C 35 19.734 20.292 -11.482 1.00 0.00 C ATOM 0 H VAL C 35 16.544 20.302 -11.009 1.00 0.00 H new ATOM 0 HA VAL C 35 18.183 21.861 -12.968 1.00 0.00 H new ATOM 0 HB VAL C 35 18.170 18.940 -12.086 1.00 0.00 H new ATOM 0 HG11 VAL C 35 20.078 18.665 -13.643 1.00 0.00 H new ATOM 0 HG12 VAL C 35 18.600 19.127 -14.520 1.00 0.00 H new ATOM 0 HG13 VAL C 35 19.863 20.340 -14.204 1.00 0.00 H new ATOM 0 HG21 VAL C 35 20.460 19.496 -11.315 1.00 0.00 H new ATOM 0 HG22 VAL C 35 20.243 21.170 -11.879 1.00 0.00 H new ATOM 0 HG23 VAL C 35 19.253 20.547 -10.538 1.00 0.00 H new ATOM 450 N ASN C 36 15.806 19.668 -13.621 1.00 0.00 N ATOM 451 CA ASN C 36 14.873 19.253 -14.706 1.00 0.00 C ATOM 452 C ASN C 36 13.707 18.459 -14.113 1.00 0.00 C ATOM 453 O ASN C 36 12.569 18.881 -14.160 1.00 0.00 O ATOM 454 CB ASN C 36 15.624 18.377 -15.710 1.00 0.00 C ATOM 455 CG ASN C 36 15.382 18.899 -17.127 1.00 0.00 C ATOM 456 OD1 ASN C 36 14.269 18.872 -17.615 1.00 0.00 O ATOM 457 ND2 ASN C 36 16.384 19.378 -17.813 1.00 0.00 N ATOM 0 H ASN C 36 15.655 19.215 -12.720 1.00 0.00 H new ATOM 0 HA ASN C 36 14.485 20.140 -15.207 1.00 0.00 H new ATOM 0 HB2 ASN C 36 16.691 18.383 -15.487 1.00 0.00 H new ATOM 0 HB3 ASN C 36 15.287 17.343 -15.630 1.00 0.00 H new ATOM 0 HD21 ASN C 36 16.233 19.730 -18.758 1.00 0.00 H new ATOM 0 HD22 ASN C 36 17.318 19.401 -17.404 1.00 0.00 H new ATOM 464 N ASN C 37 13.984 17.311 -13.557 1.00 0.00 N ATOM 465 CA ASN C 37 12.895 16.485 -12.960 1.00 0.00 C ATOM 466 C ASN C 37 11.934 17.382 -12.177 1.00 0.00 C ATOM 467 O ASN C 37 12.329 18.100 -11.280 1.00 0.00 O ATOM 468 CB ASN C 37 13.505 15.448 -12.016 1.00 0.00 C ATOM 469 CG ASN C 37 14.117 14.303 -12.830 1.00 0.00 C ATOM 470 OD1 ASN C 37 14.321 13.221 -12.316 1.00 0.00 O ATOM 471 ND2 ASN C 37 14.418 14.493 -14.085 1.00 0.00 N ATOM 0 H ASN C 37 14.919 16.909 -13.490 1.00 0.00 H new ATOM 0 HA ASN C 37 12.348 15.980 -13.756 1.00 0.00 H new ATOM 0 HB2 ASN C 37 14.270 15.914 -11.394 1.00 0.00 H new ATOM 0 HB3 ASN C 37 12.740 15.060 -11.343 1.00 0.00 H new ATOM 0 HD21 ASN C 37 14.824 13.734 -14.633 1.00 0.00 H new ATOM 0 HD22 ASN C 37 14.248 15.400 -14.519 1.00 0.00 H new ATOM 478 N THR C 38 10.673 17.350 -12.514 1.00 0.00 N ATOM 479 CA THR C 38 9.683 18.198 -11.794 1.00 0.00 C ATOM 480 C THR C 38 8.400 17.398 -11.560 1.00 0.00 C ATOM 481 O THR C 38 7.398 17.930 -11.125 1.00 0.00 O ATOM 482 CB THR C 38 9.365 19.436 -12.636 1.00 0.00 C ATOM 483 OG1 THR C 38 8.255 20.118 -12.069 1.00 0.00 O ATOM 484 CG2 THR C 38 9.028 19.009 -14.065 1.00 0.00 C ATOM 0 H THR C 38 10.286 16.771 -13.259 1.00 0.00 H new ATOM 0 HA THR C 38 10.099 18.507 -10.835 1.00 0.00 H new ATOM 0 HB THR C 38 10.230 20.099 -12.652 1.00 0.00 H new ATOM 0 HG1 THR C 38 7.919 19.613 -11.300 1.00 0.00 H new ATOM 0 HG21 THR C 38 8.802 19.891 -14.664 1.00 0.00 H new ATOM 0 HG22 THR C 38 9.880 18.485 -14.498 1.00 0.00 H new ATOM 0 HG23 THR C 38 8.162 18.347 -14.052 1.00 0.00 H new ATOM 492 N GLU C 39 8.422 16.124 -11.844 1.00 0.00 N ATOM 493 CA GLU C 39 7.203 15.293 -11.637 1.00 0.00 C ATOM 494 C GLU C 39 6.756 15.394 -10.179 1.00 0.00 C ATOM 495 O GLU C 39 5.911 16.196 -9.832 1.00 0.00 O ATOM 496 CB GLU C 39 7.516 13.835 -11.976 1.00 0.00 C ATOM 497 CG GLU C 39 6.766 13.434 -13.247 1.00 0.00 C ATOM 498 CD GLU C 39 6.770 11.910 -13.382 1.00 0.00 C ATOM 499 OE1 GLU C 39 7.788 11.373 -13.790 1.00 0.00 O ATOM 500 OE2 GLU C 39 5.758 11.305 -13.071 1.00 0.00 O ATOM 0 H GLU C 39 9.232 15.623 -12.210 1.00 0.00 H new ATOM 0 HA GLU C 39 6.404 15.653 -12.286 1.00 0.00 H new ATOM 0 HB2 GLU C 39 8.589 13.706 -12.118 1.00 0.00 H new ATOM 0 HB3 GLU C 39 7.224 13.188 -11.149 1.00 0.00 H new ATOM 0 HG2 GLU C 39 5.741 13.804 -13.209 1.00 0.00 H new ATOM 0 HG3 GLU C 39 7.237 13.888 -14.119 1.00 0.00 H new ATOM 507 N GLY C 40 7.315 14.586 -9.322 1.00 0.00 N ATOM 508 CA GLY C 40 6.921 14.638 -7.886 1.00 0.00 C ATOM 509 C GLY C 40 7.512 13.436 -7.146 1.00 0.00 C ATOM 510 O GLY C 40 6.900 12.883 -6.254 1.00 0.00 O ATOM 0 H GLY C 40 8.027 13.893 -9.553 1.00 0.00 H new ATOM 0 HA2 GLY C 40 7.275 15.565 -7.435 1.00 0.00 H new ATOM 0 HA3 GLY C 40 5.835 14.634 -7.796 1.00 0.00 H new ATOM 514 N ASP C 41 8.695 13.026 -7.510 1.00 0.00 N ATOM 515 CA ASP C 41 9.320 11.859 -6.824 1.00 0.00 C ATOM 516 C ASP C 41 10.736 12.224 -6.374 1.00 0.00 C ATOM 517 O ASP C 41 10.996 12.410 -5.202 1.00 0.00 O ATOM 518 CB ASP C 41 9.377 10.667 -7.782 1.00 0.00 C ATOM 519 CG ASP C 41 8.173 10.707 -8.724 1.00 0.00 C ATOM 520 OD1 ASP C 41 7.058 10.625 -8.234 1.00 0.00 O ATOM 521 OD2 ASP C 41 8.385 10.819 -9.920 1.00 0.00 O ATOM 0 H ASP C 41 9.256 13.447 -8.251 1.00 0.00 H new ATOM 0 HA ASP C 41 8.722 11.592 -5.953 1.00 0.00 H new ATOM 0 HB2 ASP C 41 10.302 10.694 -8.357 1.00 0.00 H new ATOM 0 HB3 ASP C 41 9.379 9.734 -7.218 1.00 0.00 H new ATOM 526 N TRP C 42 11.655 12.327 -7.294 1.00 0.00 N ATOM 527 CA TRP C 42 13.052 12.679 -6.917 1.00 0.00 C ATOM 528 C TRP C 42 13.648 13.588 -7.991 1.00 0.00 C ATOM 529 O TRP C 42 13.922 13.163 -9.096 1.00 0.00 O ATOM 530 CB TRP C 42 13.886 11.401 -6.797 1.00 0.00 C ATOM 531 CG TRP C 42 13.573 10.722 -5.462 1.00 0.00 C ATOM 532 CD1 TRP C 42 12.671 9.742 -5.288 1.00 0.00 C ATOM 533 CD2 TRP C 42 14.138 11.032 -4.297 1.00 0.00 C ATOM 534 NE1 TRP C 42 12.729 9.491 -3.978 1.00 0.00 N ATOM 535 CE2 TRP C 42 13.616 10.249 -3.285 1.00 0.00 C ATOM 536 CE3 TRP C 42 15.109 11.972 -4.011 1.00 0.00 C ATOM 537 CZ2 TRP C 42 14.064 10.409 -1.990 1.00 0.00 C ATOM 538 CZ3 TRP C 42 15.555 12.130 -2.715 1.00 0.00 C ATOM 539 CH2 TRP C 42 15.033 11.348 -1.704 1.00 0.00 C ATOM 0 H TRP C 42 11.498 12.182 -8.291 1.00 0.00 H new ATOM 0 HA TRP C 42 13.056 13.199 -5.959 1.00 0.00 H new ATOM 0 HB2 TRP C 42 13.662 10.727 -7.623 1.00 0.00 H new ATOM 0 HB3 TRP C 42 14.948 11.638 -6.858 1.00 0.00 H new ATOM 0 HD1 TRP C 42 12.047 9.269 -6.032 1.00 0.00 H new ATOM 0 HE1 TRP C 42 12.149 8.781 -3.531 1.00 0.00 H new ATOM 0 HE3 TRP C 42 15.519 12.583 -4.802 1.00 0.00 H new ATOM 0 HZ2 TRP C 42 13.655 9.798 -1.199 1.00 0.00 H new ATOM 0 HZ3 TRP C 42 16.313 12.866 -2.491 1.00 0.00 H new ATOM 0 HH2 TRP C 42 15.383 11.471 -0.690 1.00 0.00 H new ATOM 550 N TRP C 43 13.854 14.835 -7.673 1.00 0.00 N ATOM 551 CA TRP C 43 14.430 15.772 -8.676 1.00 0.00 C ATOM 552 C TRP C 43 15.876 16.109 -8.313 1.00 0.00 C ATOM 553 O TRP C 43 16.322 15.889 -7.203 1.00 0.00 O ATOM 554 CB TRP C 43 13.597 17.053 -8.697 1.00 0.00 C ATOM 555 CG TRP C 43 12.118 16.688 -8.838 1.00 0.00 C ATOM 556 CD1 TRP C 43 11.658 15.524 -9.325 1.00 0.00 C ATOM 557 CD2 TRP C 43 11.099 17.476 -8.507 1.00 0.00 C ATOM 558 NE1 TRP C 43 10.334 15.660 -9.269 1.00 0.00 N ATOM 559 CE2 TRP C 43 9.897 16.846 -8.771 1.00 0.00 C ATOM 560 CE3 TRP C 43 11.107 18.747 -7.967 1.00 0.00 C ATOM 561 CZ2 TRP C 43 8.707 17.487 -8.496 1.00 0.00 C ATOM 562 CZ3 TRP C 43 9.915 19.387 -7.692 1.00 0.00 C ATOM 563 CH2 TRP C 43 8.716 18.757 -7.956 1.00 0.00 C ATOM 0 H TRP C 43 13.648 15.246 -6.762 1.00 0.00 H new ATOM 0 HA TRP C 43 14.415 15.302 -9.659 1.00 0.00 H new ATOM 0 HB2 TRP C 43 13.758 17.621 -7.781 1.00 0.00 H new ATOM 0 HB3 TRP C 43 13.908 17.690 -9.525 1.00 0.00 H new ATOM 0 HD1 TRP C 43 12.227 14.677 -9.679 1.00 0.00 H new ATOM 0 HE1 TRP C 43 9.695 14.927 -9.577 1.00 0.00 H new ATOM 0 HE3 TRP C 43 12.045 19.240 -7.760 1.00 0.00 H new ATOM 0 HZ2 TRP C 43 7.768 16.995 -8.703 1.00 0.00 H new ATOM 0 HZ3 TRP C 43 9.921 20.381 -7.270 1.00 0.00 H new ATOM 0 HH2 TRP C 43 7.784 19.258 -7.740 1.00 0.00 H new ATOM 574 N LEU C 44 16.611 16.645 -9.247 1.00 0.00 N ATOM 575 CA LEU C 44 18.029 17.003 -8.976 1.00 0.00 C ATOM 576 C LEU C 44 18.175 18.526 -9.014 1.00 0.00 C ATOM 577 O LEU C 44 17.944 19.154 -10.026 1.00 0.00 O ATOM 578 CB LEU C 44 18.924 16.373 -10.046 1.00 0.00 C ATOM 579 CG LEU C 44 20.392 16.656 -9.724 1.00 0.00 C ATOM 580 CD1 LEU C 44 20.926 15.577 -8.781 1.00 0.00 C ATOM 581 CD2 LEU C 44 21.205 16.646 -11.020 1.00 0.00 C ATOM 0 H LEU C 44 16.287 16.851 -10.192 1.00 0.00 H new ATOM 0 HA LEU C 44 18.325 16.632 -7.995 1.00 0.00 H new ATOM 0 HB2 LEU C 44 18.752 15.297 -10.090 1.00 0.00 H new ATOM 0 HB3 LEU C 44 18.673 16.776 -11.027 1.00 0.00 H new ATOM 0 HG LEU C 44 20.478 17.631 -9.245 1.00 0.00 H new ATOM 0 HD11 LEU C 44 21.972 15.779 -8.552 1.00 0.00 H new ATOM 0 HD12 LEU C 44 20.345 15.580 -7.859 1.00 0.00 H new ATOM 0 HD13 LEU C 44 20.841 14.601 -9.259 1.00 0.00 H new ATOM 0 HD21 LEU C 44 22.252 16.847 -10.794 1.00 0.00 H new ATOM 0 HD22 LEU C 44 21.118 15.670 -11.497 1.00 0.00 H new ATOM 0 HD23 LEU C 44 20.825 17.414 -11.694 1.00 0.00 H new ATOM 593 N ALA C 45 18.553 19.125 -7.920 1.00 0.00 N ATOM 594 CA ALA C 45 18.709 20.606 -7.902 1.00 0.00 C ATOM 595 C ALA C 45 20.176 20.969 -7.663 1.00 0.00 C ATOM 596 O ALA C 45 20.980 20.138 -7.287 1.00 0.00 O ATOM 597 CB ALA C 45 17.848 21.196 -6.783 1.00 0.00 C ATOM 0 H ALA C 45 18.760 18.655 -7.039 1.00 0.00 H new ATOM 0 HA ALA C 45 18.390 21.013 -8.861 1.00 0.00 H new ATOM 0 HB1 ALA C 45 17.962 22.280 -6.769 1.00 0.00 H new ATOM 0 HB2 ALA C 45 16.802 20.943 -6.957 1.00 0.00 H new ATOM 0 HB3 ALA C 45 18.166 20.786 -5.825 1.00 0.00 H new ATOM 603 N HIS C 46 20.527 22.207 -7.875 1.00 0.00 N ATOM 604 CA HIS C 46 21.938 22.633 -7.663 1.00 0.00 C ATOM 605 C HIS C 46 21.997 23.593 -6.468 1.00 0.00 C ATOM 606 O HIS C 46 21.339 24.613 -6.445 1.00 0.00 O ATOM 607 CB HIS C 46 22.447 23.326 -8.938 1.00 0.00 C ATOM 608 CG HIS C 46 23.543 24.345 -8.602 1.00 0.00 C ATOM 609 ND1 HIS C 46 24.765 24.067 -8.412 1.00 0.00 N ATOM 610 CD2 HIS C 46 23.458 25.715 -8.438 1.00 0.00 C ATOM 611 CE1 HIS C 46 25.432 25.129 -8.149 1.00 0.00 C ATOM 612 NE2 HIS C 46 24.671 26.211 -8.147 1.00 0.00 N ATOM 0 H HIS C 46 19.895 22.944 -8.187 1.00 0.00 H new ATOM 0 HA HIS C 46 22.569 21.770 -7.453 1.00 0.00 H new ATOM 0 HB2 HIS C 46 22.837 22.581 -9.632 1.00 0.00 H new ATOM 0 HB3 HIS C 46 21.620 23.827 -9.440 1.00 0.00 H new ATOM 0 HD2 HIS C 46 22.553 26.298 -8.530 1.00 0.00 H new ATOM 0 HE1 HIS C 46 26.494 25.140 -7.952 1.00 0.00 H new ATOM 0 HE2 HIS C 46 24.939 27.179 -7.969 1.00 0.00 H new ATOM 620 N SER C 47 22.781 23.269 -5.476 1.00 0.00 N ATOM 621 CA SER C 47 22.886 24.157 -4.284 1.00 0.00 C ATOM 622 C SER C 47 23.584 25.460 -4.683 1.00 0.00 C ATOM 623 O SER C 47 24.471 25.471 -5.512 1.00 0.00 O ATOM 624 CB SER C 47 23.697 23.453 -3.195 1.00 0.00 C ATOM 625 OG SER C 47 23.032 22.262 -2.804 1.00 0.00 O ATOM 0 H SER C 47 23.354 22.426 -5.440 1.00 0.00 H new ATOM 0 HA SER C 47 21.889 24.380 -3.904 1.00 0.00 H new ATOM 0 HB2 SER C 47 24.696 23.220 -3.564 1.00 0.00 H new ATOM 0 HB3 SER C 47 23.821 24.112 -2.336 1.00 0.00 H new ATOM 0 HG SER C 47 23.553 21.810 -2.107 1.00 0.00 H new ATOM 631 N LEU C 48 23.192 26.558 -4.096 1.00 0.00 N ATOM 632 CA LEU C 48 23.834 27.858 -4.444 1.00 0.00 C ATOM 633 C LEU C 48 24.874 28.220 -3.382 1.00 0.00 C ATOM 634 O LEU C 48 25.626 29.164 -3.533 1.00 0.00 O ATOM 635 CB LEU C 48 22.768 28.954 -4.499 1.00 0.00 C ATOM 636 CG LEU C 48 21.750 28.621 -5.589 1.00 0.00 C ATOM 637 CD1 LEU C 48 20.433 29.342 -5.292 1.00 0.00 C ATOM 638 CD2 LEU C 48 22.286 29.080 -6.946 1.00 0.00 C ATOM 0 H LEU C 48 22.456 26.611 -3.392 1.00 0.00 H new ATOM 0 HA LEU C 48 24.321 27.770 -5.415 1.00 0.00 H new ATOM 0 HB2 LEU C 48 22.269 29.039 -3.534 1.00 0.00 H new ATOM 0 HB3 LEU C 48 23.233 29.918 -4.703 1.00 0.00 H new ATOM 0 HG LEU C 48 21.580 27.545 -5.611 1.00 0.00 H new ATOM 0 HD11 LEU C 48 19.706 29.106 -6.069 1.00 0.00 H new ATOM 0 HD12 LEU C 48 20.050 29.016 -4.325 1.00 0.00 H new ATOM 0 HD13 LEU C 48 20.604 30.418 -5.271 1.00 0.00 H new ATOM 0 HD21 LEU C 48 21.560 28.842 -7.723 1.00 0.00 H new ATOM 0 HD22 LEU C 48 22.456 30.156 -6.925 1.00 0.00 H new ATOM 0 HD23 LEU C 48 23.225 28.569 -7.158 1.00 0.00 H new ATOM 650 N THR C 49 24.928 27.480 -2.311 1.00 0.00 N ATOM 651 CA THR C 49 25.921 27.788 -1.243 1.00 0.00 C ATOM 652 C THR C 49 27.334 27.496 -1.755 1.00 0.00 C ATOM 653 O THR C 49 28.102 28.396 -2.032 1.00 0.00 O ATOM 654 CB THR C 49 25.634 26.922 -0.014 1.00 0.00 C ATOM 655 OG1 THR C 49 24.352 27.251 0.502 1.00 0.00 O ATOM 656 CG2 THR C 49 26.699 27.181 1.052 1.00 0.00 C ATOM 0 H THR C 49 24.328 26.675 -2.128 1.00 0.00 H new ATOM 0 HA THR C 49 25.845 28.841 -0.972 1.00 0.00 H new ATOM 0 HB THR C 49 25.654 25.869 -0.294 1.00 0.00 H new ATOM 0 HG1 THR C 49 24.164 26.697 1.288 1.00 0.00 H new ATOM 0 HG21 THR C 49 26.495 26.564 1.927 1.00 0.00 H new ATOM 0 HG22 THR C 49 27.682 26.930 0.653 1.00 0.00 H new ATOM 0 HG23 THR C 49 26.680 28.233 1.337 1.00 0.00 H new ATOM 664 N THR C 50 27.685 26.246 -1.883 1.00 0.00 N ATOM 665 CA THR C 50 29.050 25.903 -2.376 1.00 0.00 C ATOM 666 C THR C 50 29.043 25.840 -3.905 1.00 0.00 C ATOM 667 O THR C 50 29.643 26.660 -4.571 1.00 0.00 O ATOM 668 CB THR C 50 29.470 24.545 -1.810 1.00 0.00 C ATOM 669 OG1 THR C 50 28.339 23.901 -1.241 1.00 0.00 O ATOM 670 CG2 THR C 50 30.539 24.749 -0.736 1.00 0.00 C ATOM 0 H THR C 50 27.087 25.448 -1.668 1.00 0.00 H new ATOM 0 HA THR C 50 29.756 26.667 -2.050 1.00 0.00 H new ATOM 0 HB THR C 50 29.876 23.926 -2.610 1.00 0.00 H new ATOM 0 HG1 THR C 50 28.606 23.030 -0.879 1.00 0.00 H new ATOM 0 HG21 THR C 50 30.839 23.782 -0.332 1.00 0.00 H new ATOM 0 HG22 THR C 50 31.406 25.243 -1.175 1.00 0.00 H new ATOM 0 HG23 THR C 50 30.136 25.368 0.066 1.00 0.00 H new ATOM 678 N GLY C 51 28.371 24.874 -4.468 1.00 0.00 N ATOM 679 CA GLY C 51 28.330 24.763 -5.953 1.00 0.00 C ATOM 680 C GLY C 51 28.432 23.292 -6.361 1.00 0.00 C ATOM 681 O GLY C 51 29.407 22.867 -6.950 1.00 0.00 O ATOM 0 H GLY C 51 27.849 24.157 -3.964 1.00 0.00 H new ATOM 0 HA2 GLY C 51 27.404 25.193 -6.334 1.00 0.00 H new ATOM 0 HA3 GLY C 51 29.150 25.331 -6.393 1.00 0.00 H new ATOM 685 N GLN C 52 27.433 22.510 -6.053 1.00 0.00 N ATOM 686 CA GLN C 52 27.472 21.068 -6.423 1.00 0.00 C ATOM 687 C GLN C 52 26.073 20.610 -6.836 1.00 0.00 C ATOM 688 O GLN C 52 25.115 21.354 -6.756 1.00 0.00 O ATOM 689 CB GLN C 52 27.944 20.242 -5.224 1.00 0.00 C ATOM 690 CG GLN C 52 29.209 20.870 -4.635 1.00 0.00 C ATOM 691 CD GLN C 52 30.170 19.763 -4.196 1.00 0.00 C ATOM 692 OE1 GLN C 52 30.303 18.757 -4.864 1.00 0.00 O ATOM 693 NE2 GLN C 52 30.850 19.905 -3.091 1.00 0.00 N ATOM 0 H GLN C 52 26.591 22.809 -5.561 1.00 0.00 H new ATOM 0 HA GLN C 52 28.163 20.927 -7.254 1.00 0.00 H new ATOM 0 HB2 GLN C 52 27.160 20.200 -4.467 1.00 0.00 H new ATOM 0 HB3 GLN C 52 28.145 19.216 -5.533 1.00 0.00 H new ATOM 0 HG2 GLN C 52 29.689 21.511 -5.375 1.00 0.00 H new ATOM 0 HG3 GLN C 52 28.952 21.502 -3.785 1.00 0.00 H new ATOM 0 HE21 GLN C 52 30.739 20.749 -2.529 1.00 0.00 H new ATOM 0 HE22 GLN C 52 31.492 19.172 -2.789 1.00 0.00 H new ATOM 702 N THR C 53 25.948 19.391 -7.279 1.00 0.00 N ATOM 703 CA THR C 53 24.613 18.882 -7.697 1.00 0.00 C ATOM 704 C THR C 53 24.153 17.809 -6.710 1.00 0.00 C ATOM 705 O THR C 53 24.955 17.116 -6.117 1.00 0.00 O ATOM 706 CB THR C 53 24.716 18.277 -9.098 1.00 0.00 C ATOM 707 OG1 THR C 53 24.979 19.310 -10.039 1.00 0.00 O ATOM 708 CG2 THR C 53 23.404 17.583 -9.455 1.00 0.00 C ATOM 0 H THR C 53 26.714 18.724 -7.370 1.00 0.00 H new ATOM 0 HA THR C 53 23.894 19.701 -7.708 1.00 0.00 H new ATOM 0 HB THR C 53 25.526 17.548 -9.120 1.00 0.00 H new ATOM 0 HG1 THR C 53 25.047 18.925 -10.937 1.00 0.00 H new ATOM 0 HG21 THR C 53 23.480 17.153 -10.454 1.00 0.00 H new ATOM 0 HG22 THR C 53 23.203 16.791 -8.733 1.00 0.00 H new ATOM 0 HG23 THR C 53 22.591 18.309 -9.433 1.00 0.00 H new ATOM 716 N GLY C 54 22.869 17.661 -6.527 1.00 0.00 N ATOM 717 CA GLY C 54 22.373 16.630 -5.575 1.00 0.00 C ATOM 718 C GLY C 54 20.916 16.290 -5.892 1.00 0.00 C ATOM 719 O GLY C 54 20.126 17.147 -6.232 1.00 0.00 O ATOM 0 H GLY C 54 22.146 18.208 -6.994 1.00 0.00 H new ATOM 0 HA2 GLY C 54 22.988 15.733 -5.643 1.00 0.00 H new ATOM 0 HA3 GLY C 54 22.456 16.997 -4.552 1.00 0.00 H new ATOM 723 N TYR C 55 20.556 15.040 -5.782 1.00 0.00 N ATOM 724 CA TYR C 55 19.153 14.637 -6.075 1.00 0.00 C ATOM 725 C TYR C 55 18.290 14.874 -4.835 1.00 0.00 C ATOM 726 O TYR C 55 18.231 14.052 -3.942 1.00 0.00 O ATOM 727 CB TYR C 55 19.117 13.153 -6.445 1.00 0.00 C ATOM 728 CG TYR C 55 19.306 12.997 -7.955 1.00 0.00 C ATOM 729 CD1 TYR C 55 18.233 13.127 -8.814 1.00 0.00 C ATOM 730 CD2 TYR C 55 20.554 12.730 -8.481 1.00 0.00 C ATOM 731 CE1 TYR C 55 18.407 12.993 -10.177 1.00 0.00 C ATOM 732 CE2 TYR C 55 20.727 12.596 -9.843 1.00 0.00 C ATOM 733 CZ TYR C 55 19.654 12.728 -10.702 1.00 0.00 C ATOM 734 OH TYR C 55 19.827 12.596 -12.064 1.00 0.00 O ATOM 0 H TYR C 55 21.175 14.280 -5.501 1.00 0.00 H new ATOM 0 HA TYR C 55 18.768 15.228 -6.906 1.00 0.00 H new ATOM 0 HB2 TYR C 55 19.902 12.616 -5.912 1.00 0.00 H new ATOM 0 HB3 TYR C 55 18.167 12.714 -6.140 1.00 0.00 H new ATOM 0 HD1 TYR C 55 17.250 13.335 -8.417 1.00 0.00 H new ATOM 0 HD2 TYR C 55 21.402 12.625 -7.821 1.00 0.00 H new ATOM 0 HE1 TYR C 55 17.559 13.097 -10.838 1.00 0.00 H new ATOM 0 HE2 TYR C 55 21.709 12.386 -10.240 1.00 0.00 H new ATOM 0 HH TYR C 55 20.770 12.412 -12.258 1.00 0.00 H new ATOM 744 N ILE C 56 17.620 15.992 -4.770 1.00 0.00 N ATOM 745 CA ILE C 56 16.763 16.276 -3.585 1.00 0.00 C ATOM 746 C ILE C 56 15.363 15.699 -3.820 1.00 0.00 C ATOM 747 O ILE C 56 14.869 15.716 -4.930 1.00 0.00 O ATOM 748 CB ILE C 56 16.665 17.789 -3.380 1.00 0.00 C ATOM 749 CG1 ILE C 56 15.928 18.417 -4.563 1.00 0.00 C ATOM 750 CG2 ILE C 56 18.073 18.380 -3.286 1.00 0.00 C ATOM 751 CD1 ILE C 56 14.428 18.458 -4.268 1.00 0.00 C ATOM 0 H ILE C 56 17.629 16.720 -5.485 1.00 0.00 H new ATOM 0 HA ILE C 56 17.201 15.817 -2.698 1.00 0.00 H new ATOM 0 HB ILE C 56 16.119 17.998 -2.460 1.00 0.00 H new ATOM 0 HG12 ILE C 56 16.301 19.425 -4.744 1.00 0.00 H new ATOM 0 HG13 ILE C 56 16.115 17.841 -5.469 1.00 0.00 H new ATOM 0 HG21 ILE C 56 18.006 19.458 -3.140 1.00 0.00 H new ATOM 0 HG22 ILE C 56 18.600 17.932 -2.444 1.00 0.00 H new ATOM 0 HG23 ILE C 56 18.617 18.172 -4.207 1.00 0.00 H new ATOM 0 HD11 ILE C 56 13.903 18.906 -5.112 1.00 0.00 H new ATOM 0 HD12 ILE C 56 14.061 17.444 -4.109 1.00 0.00 H new ATOM 0 HD13 ILE C 56 14.249 19.053 -3.372 1.00 0.00 H new ATOM 763 N PRO C 57 14.763 15.203 -2.765 1.00 0.00 N ATOM 764 CA PRO C 57 13.415 14.614 -2.839 1.00 0.00 C ATOM 765 C PRO C 57 12.404 15.677 -3.277 1.00 0.00 C ATOM 766 O PRO C 57 12.638 16.861 -3.141 1.00 0.00 O ATOM 767 CB PRO C 57 13.116 14.135 -1.411 1.00 0.00 C ATOM 768 CG PRO C 57 14.327 14.521 -0.522 1.00 0.00 C ATOM 769 CD PRO C 57 15.376 15.190 -1.424 1.00 0.00 C ATOM 0 HA PRO C 57 13.352 13.800 -3.561 1.00 0.00 H new ATOM 0 HB2 PRO C 57 12.203 14.597 -1.036 1.00 0.00 H new ATOM 0 HB3 PRO C 57 12.957 13.057 -1.394 1.00 0.00 H new ATOM 0 HG2 PRO C 57 14.017 15.200 0.272 1.00 0.00 H new ATOM 0 HG3 PRO C 57 14.745 13.637 -0.041 1.00 0.00 H new ATOM 0 HD2 PRO C 57 15.605 16.200 -1.083 1.00 0.00 H new ATOM 0 HD3 PRO C 57 16.313 14.633 -1.422 1.00 0.00 H new ATOM 777 N SER C 58 11.284 15.265 -3.801 1.00 0.00 N ATOM 778 CA SER C 58 10.262 16.254 -4.247 1.00 0.00 C ATOM 779 C SER C 58 9.306 16.567 -3.094 1.00 0.00 C ATOM 780 O SER C 58 8.535 17.504 -3.153 1.00 0.00 O ATOM 781 CB SER C 58 9.472 15.671 -5.419 1.00 0.00 C ATOM 782 OG SER C 58 9.509 14.253 -5.356 1.00 0.00 O ATOM 0 H SER C 58 11.031 14.287 -3.940 1.00 0.00 H new ATOM 0 HA SER C 58 10.760 17.172 -4.560 1.00 0.00 H new ATOM 0 HB2 SER C 58 8.440 16.020 -5.385 1.00 0.00 H new ATOM 0 HB3 SER C 58 9.894 16.015 -6.363 1.00 0.00 H new ATOM 0 HG SER C 58 8.751 13.929 -4.825 1.00 0.00 H new ATOM 788 N ASN C 59 9.350 15.793 -2.045 1.00 0.00 N ATOM 789 CA ASN C 59 8.445 16.047 -0.895 1.00 0.00 C ATOM 790 C ASN C 59 9.117 17.009 0.089 1.00 0.00 C ATOM 791 O ASN C 59 8.507 17.469 1.034 1.00 0.00 O ATOM 792 CB ASN C 59 8.153 14.722 -0.193 1.00 0.00 C ATOM 793 CG ASN C 59 9.469 13.999 0.105 1.00 0.00 C ATOM 794 OD1 ASN C 59 10.511 14.619 0.188 1.00 0.00 O ATOM 795 ND2 ASN C 59 9.466 12.705 0.272 1.00 0.00 N ATOM 0 H ASN C 59 9.976 14.995 -1.937 1.00 0.00 H new ATOM 0 HA ASN C 59 7.516 16.492 -1.251 1.00 0.00 H new ATOM 0 HB2 ASN C 59 7.607 14.902 0.733 1.00 0.00 H new ATOM 0 HB3 ASN C 59 7.518 14.098 -0.821 1.00 0.00 H new ATOM 0 HD21 ASN C 59 10.338 12.215 0.472 1.00 0.00 H new ATOM 0 HD22 ASN C 59 8.592 12.184 0.203 1.00 0.00 H new ATOM 802 N TYR C 60 10.367 17.321 -0.124 1.00 0.00 N ATOM 803 CA TYR C 60 11.070 18.255 0.803 1.00 0.00 C ATOM 804 C TYR C 60 11.302 19.602 0.112 1.00 0.00 C ATOM 805 O TYR C 60 12.099 20.404 0.559 1.00 0.00 O ATOM 806 CB TYR C 60 12.424 17.656 1.203 1.00 0.00 C ATOM 807 CG TYR C 60 12.213 16.424 2.094 1.00 0.00 C ATOM 808 CD1 TYR C 60 10.945 16.049 2.496 1.00 0.00 C ATOM 809 CD2 TYR C 60 13.293 15.673 2.510 1.00 0.00 C ATOM 810 CE1 TYR C 60 10.764 14.941 3.299 1.00 0.00 C ATOM 811 CE2 TYR C 60 13.110 14.564 3.313 1.00 0.00 C ATOM 812 CZ TYR C 60 11.845 14.191 3.713 1.00 0.00 C ATOM 813 OH TYR C 60 11.663 13.083 4.515 1.00 0.00 O ATOM 0 H TYR C 60 10.931 16.970 -0.898 1.00 0.00 H new ATOM 0 HA TYR C 60 10.455 18.405 1.690 1.00 0.00 H new ATOM 0 HB2 TYR C 60 12.985 17.378 0.311 1.00 0.00 H new ATOM 0 HB3 TYR C 60 13.018 18.401 1.733 1.00 0.00 H new ATOM 0 HD1 TYR C 60 10.089 16.627 2.180 1.00 0.00 H new ATOM 0 HD2 TYR C 60 14.290 15.955 2.205 1.00 0.00 H new ATOM 0 HE1 TYR C 60 9.768 14.659 3.606 1.00 0.00 H new ATOM 0 HE2 TYR C 60 13.965 13.985 3.630 1.00 0.00 H new ATOM 0 HH TYR C 60 10.759 12.729 4.383 1.00 0.00 H new ATOM 823 N VAL C 61 10.619 19.864 -0.970 1.00 0.00 N ATOM 824 CA VAL C 61 10.817 21.166 -1.671 1.00 0.00 C ATOM 825 C VAL C 61 9.469 21.729 -2.112 1.00 0.00 C ATOM 826 O VAL C 61 8.462 21.048 -2.106 1.00 0.00 O ATOM 827 CB VAL C 61 11.707 20.963 -2.899 1.00 0.00 C ATOM 828 CG1 VAL C 61 11.172 19.803 -3.739 1.00 0.00 C ATOM 829 CG2 VAL C 61 11.721 22.231 -3.753 1.00 0.00 C ATOM 0 H VAL C 61 9.937 19.237 -1.397 1.00 0.00 H new ATOM 0 HA VAL C 61 11.295 21.867 -0.987 1.00 0.00 H new ATOM 0 HB VAL C 61 12.720 20.740 -2.564 1.00 0.00 H new ATOM 0 HG11 VAL C 61 11.809 19.662 -4.612 1.00 0.00 H new ATOM 0 HG12 VAL C 61 11.169 18.892 -3.141 1.00 0.00 H new ATOM 0 HG13 VAL C 61 10.156 20.027 -4.063 1.00 0.00 H new ATOM 0 HG21 VAL C 61 12.357 22.076 -4.624 1.00 0.00 H new ATOM 0 HG22 VAL C 61 10.707 22.460 -4.080 1.00 0.00 H new ATOM 0 HG23 VAL C 61 12.109 23.062 -3.164 1.00 0.00 H new ATOM 839 N ALA C 62 9.448 22.971 -2.495 1.00 0.00 N ATOM 840 CA ALA C 62 8.170 23.596 -2.941 1.00 0.00 C ATOM 841 C ALA C 62 8.450 24.999 -3.496 1.00 0.00 C ATOM 842 O ALA C 62 9.286 25.709 -2.976 1.00 0.00 O ATOM 843 CB ALA C 62 7.213 23.701 -1.752 1.00 0.00 C ATOM 0 H ALA C 62 10.262 23.585 -2.520 1.00 0.00 H new ATOM 0 HA ALA C 62 7.719 22.982 -3.720 1.00 0.00 H new ATOM 0 HB1 ALA C 62 6.278 24.158 -2.077 1.00 0.00 H new ATOM 0 HB2 ALA C 62 7.012 22.705 -1.357 1.00 0.00 H new ATOM 0 HB3 ALA C 62 7.666 24.315 -0.974 1.00 0.00 H new ATOM 849 N PRO C 63 7.740 25.355 -4.540 1.00 0.00 N ATOM 850 CA PRO C 63 7.898 26.673 -5.181 1.00 0.00 C ATOM 851 C PRO C 63 7.541 27.788 -4.193 1.00 0.00 C ATOM 852 O PRO C 63 6.531 27.734 -3.521 1.00 0.00 O ATOM 853 CB PRO C 63 6.913 26.659 -6.358 1.00 0.00 C ATOM 854 CG PRO C 63 6.193 25.286 -6.355 1.00 0.00 C ATOM 855 CD PRO C 63 6.734 24.476 -5.165 1.00 0.00 C ATOM 0 HA PRO C 63 8.922 26.856 -5.507 1.00 0.00 H new ATOM 0 HB2 PRO C 63 6.191 27.470 -6.262 1.00 0.00 H new ATOM 0 HB3 PRO C 63 7.440 26.812 -7.300 1.00 0.00 H new ATOM 0 HG2 PRO C 63 5.115 25.420 -6.268 1.00 0.00 H new ATOM 0 HG3 PRO C 63 6.374 24.757 -7.291 1.00 0.00 H new ATOM 0 HD2 PRO C 63 5.939 24.223 -4.464 1.00 0.00 H new ATOM 0 HD3 PRO C 63 7.179 23.537 -5.495 1.00 0.00 H new ATOM 863 N SER C 64 8.363 28.797 -4.100 1.00 0.00 N ATOM 864 CA SER C 64 8.070 29.913 -3.156 1.00 0.00 C ATOM 865 C SER C 64 9.124 31.010 -3.315 1.00 0.00 C ATOM 866 O SER C 64 10.299 30.692 -3.231 1.00 0.00 O ATOM 867 CB SER C 64 8.093 29.387 -1.719 1.00 0.00 C ATOM 868 OG SER C 64 7.097 30.052 -0.958 1.00 0.00 O ATOM 869 OXT SER C 64 8.739 32.148 -3.519 1.00 0.00 O ATOM 0 H SER C 64 9.225 28.897 -4.637 1.00 0.00 H new ATOM 0 HA SER C 64 7.085 30.323 -3.377 1.00 0.00 H new ATOM 0 HB2 SER C 64 7.915 28.312 -1.711 1.00 0.00 H new ATOM 0 HB3 SER C 64 9.075 29.551 -1.276 1.00 0.00 H new ATOM 0 HG SER C 64 7.109 29.715 -0.038 1.00 0.00 H new TER 875 SER C 64 ATOM 876 N ALA A 71 15.273 17.907 13.208 1.00 0.00 N ATOM 877 CA ALA A 71 13.829 17.635 12.962 1.00 0.00 C ATOM 878 C ALA A 71 13.673 16.263 12.302 1.00 0.00 C ATOM 879 O ALA A 71 14.481 15.858 11.490 1.00 0.00 O ATOM 880 CB ALA A 71 13.257 18.713 12.040 1.00 0.00 C ATOM 0 HA ALA A 71 13.291 17.645 13.910 1.00 0.00 H new ATOM 0 HB1 ALA A 71 12.201 18.514 11.860 1.00 0.00 H new ATOM 0 HB2 ALA A 71 13.367 19.690 12.510 1.00 0.00 H new ATOM 0 HB3 ALA A 71 13.795 18.704 11.092 1.00 0.00 H new ATOM 888 N PHE A 72 12.637 15.545 12.645 1.00 0.00 N ATOM 889 CA PHE A 72 12.428 14.200 12.037 1.00 0.00 C ATOM 890 C PHE A 72 11.628 14.346 10.742 1.00 0.00 C ATOM 891 O PHE A 72 10.464 14.694 10.756 1.00 0.00 O ATOM 892 CB PHE A 72 11.658 13.313 13.020 1.00 0.00 C ATOM 893 CG PHE A 72 11.143 12.067 12.296 1.00 0.00 C ATOM 894 CD1 PHE A 72 11.924 10.928 12.215 1.00 0.00 C ATOM 895 CD2 PHE A 72 9.889 12.065 11.710 1.00 0.00 C ATOM 896 CE1 PHE A 72 11.458 9.805 11.562 1.00 0.00 C ATOM 897 CE2 PHE A 72 9.425 10.941 11.056 1.00 0.00 C ATOM 898 CZ PHE A 72 10.209 9.812 10.982 1.00 0.00 C ATOM 0 H PHE A 72 11.927 15.832 13.319 1.00 0.00 H new ATOM 0 HA PHE A 72 13.393 13.744 11.816 1.00 0.00 H new ATOM 0 HB2 PHE A 72 12.306 13.023 13.847 1.00 0.00 H new ATOM 0 HB3 PHE A 72 10.823 13.868 13.448 1.00 0.00 H new ATOM 0 HD1 PHE A 72 12.905 10.918 12.666 1.00 0.00 H new ATOM 0 HD2 PHE A 72 9.270 12.948 11.765 1.00 0.00 H new ATOM 0 HE1 PHE A 72 12.074 8.919 11.506 1.00 0.00 H new ATOM 0 HE2 PHE A 72 8.445 10.948 10.602 1.00 0.00 H new ATOM 0 HZ PHE A 72 9.845 8.933 10.470 1.00 0.00 H new ATOM 908 N ALA A 73 12.242 14.081 9.621 1.00 0.00 N ATOM 909 CA ALA A 73 11.513 14.204 8.328 1.00 0.00 C ATOM 910 C ALA A 73 10.830 12.873 8.005 1.00 0.00 C ATOM 911 O ALA A 73 11.251 11.833 8.474 1.00 0.00 O ATOM 912 CB ALA A 73 12.500 14.555 7.212 1.00 0.00 C ATOM 0 H ALA A 73 13.215 13.785 9.545 1.00 0.00 H new ATOM 0 HA ALA A 73 10.764 14.992 8.406 1.00 0.00 H new ATOM 0 HB1 ALA A 73 11.964 14.644 6.267 1.00 0.00 H new ATOM 0 HB2 ALA A 73 12.989 15.502 7.443 1.00 0.00 H new ATOM 0 HB3 ALA A 73 13.251 13.769 7.130 1.00 0.00 H new ATOM 918 N PRO A 74 9.792 12.944 7.212 1.00 0.00 N ATOM 919 CA PRO A 74 9.030 11.749 6.812 1.00 0.00 C ATOM 920 C PRO A 74 9.953 10.757 6.093 1.00 0.00 C ATOM 921 O PRO A 74 11.000 11.132 5.605 1.00 0.00 O ATOM 922 CB PRO A 74 7.944 12.276 5.863 1.00 0.00 C ATOM 923 CG PRO A 74 8.081 13.821 5.803 1.00 0.00 C ATOM 924 CD PRO A 74 9.299 14.215 6.651 1.00 0.00 C ATOM 0 HA PRO A 74 8.600 11.219 7.662 1.00 0.00 H new ATOM 0 HB2 PRO A 74 8.061 11.843 4.870 1.00 0.00 H new ATOM 0 HB3 PRO A 74 6.954 11.993 6.220 1.00 0.00 H new ATOM 0 HG2 PRO A 74 8.208 14.154 4.773 1.00 0.00 H new ATOM 0 HG3 PRO A 74 7.179 14.300 6.184 1.00 0.00 H new ATOM 0 HD2 PRO A 74 10.062 14.703 6.045 1.00 0.00 H new ATOM 0 HD3 PRO A 74 9.023 14.915 7.439 1.00 0.00 H new ATOM 932 N PRO A 75 9.537 9.516 6.053 1.00 0.00 N ATOM 933 CA PRO A 75 10.315 8.450 5.399 1.00 0.00 C ATOM 934 C PRO A 75 10.510 8.772 3.915 1.00 0.00 C ATOM 935 O PRO A 75 9.562 8.877 3.162 1.00 0.00 O ATOM 936 CB PRO A 75 9.467 7.182 5.569 1.00 0.00 C ATOM 937 CG PRO A 75 8.171 7.581 6.323 1.00 0.00 C ATOM 938 CD PRO A 75 8.260 9.081 6.647 1.00 0.00 C ATOM 0 HA PRO A 75 11.309 8.337 5.831 1.00 0.00 H new ATOM 0 HB2 PRO A 75 9.227 6.749 4.598 1.00 0.00 H new ATOM 0 HB3 PRO A 75 10.018 6.425 6.128 1.00 0.00 H new ATOM 0 HG2 PRO A 75 7.293 7.374 5.711 1.00 0.00 H new ATOM 0 HG3 PRO A 75 8.066 6.998 7.238 1.00 0.00 H new ATOM 0 HD2 PRO A 75 7.419 9.629 6.222 1.00 0.00 H new ATOM 0 HD3 PRO A 75 8.244 9.256 7.723 1.00 0.00 H new ATOM 946 N LEU A 76 11.734 8.933 3.490 1.00 0.00 N ATOM 947 CA LEU A 76 11.987 9.251 2.056 1.00 0.00 C ATOM 948 C LEU A 76 11.483 8.092 1.184 1.00 0.00 C ATOM 949 O LEU A 76 11.668 6.941 1.526 1.00 0.00 O ATOM 950 CB LEU A 76 13.491 9.437 1.832 1.00 0.00 C ATOM 951 CG LEU A 76 13.908 10.835 2.292 1.00 0.00 C ATOM 952 CD1 LEU A 76 15.419 10.998 2.120 1.00 0.00 C ATOM 953 CD2 LEU A 76 13.184 11.887 1.451 1.00 0.00 C ATOM 0 H LEU A 76 12.568 8.858 4.073 1.00 0.00 H new ATOM 0 HA LEU A 76 11.463 10.168 1.787 1.00 0.00 H new ATOM 0 HB2 LEU A 76 14.048 8.680 2.384 1.00 0.00 H new ATOM 0 HB3 LEU A 76 13.731 9.303 0.777 1.00 0.00 H new ATOM 0 HG LEU A 76 13.644 10.965 3.342 1.00 0.00 H new ATOM 0 HD11 LEU A 76 15.717 11.994 2.448 1.00 0.00 H new ATOM 0 HD12 LEU A 76 15.936 10.249 2.719 1.00 0.00 H new ATOM 0 HD13 LEU A 76 15.682 10.867 1.070 1.00 0.00 H new ATOM 0 HD21 LEU A 76 13.481 12.883 1.779 1.00 0.00 H new ATOM 0 HD22 LEU A 76 13.447 11.757 0.401 1.00 0.00 H new ATOM 0 HD23 LEU A 76 12.107 11.772 1.572 1.00 0.00 H new ATOM 965 N PRO A 77 10.861 8.429 0.080 1.00 0.00 N ATOM 966 CA PRO A 77 10.323 7.421 -0.853 1.00 0.00 C ATOM 967 C PRO A 77 11.465 6.575 -1.425 1.00 0.00 C ATOM 968 O PRO A 77 12.626 6.853 -1.198 1.00 0.00 O ATOM 969 CB PRO A 77 9.648 8.235 -1.966 1.00 0.00 C ATOM 970 CG PRO A 77 9.856 9.737 -1.642 1.00 0.00 C ATOM 971 CD PRO A 77 10.643 9.829 -0.325 1.00 0.00 C ATOM 0 HA PRO A 77 9.627 6.735 -0.370 1.00 0.00 H new ATOM 0 HB2 PRO A 77 10.080 7.989 -2.936 1.00 0.00 H new ATOM 0 HB3 PRO A 77 8.585 7.999 -2.022 1.00 0.00 H new ATOM 0 HG2 PRO A 77 10.400 10.230 -2.448 1.00 0.00 H new ATOM 0 HG3 PRO A 77 8.896 10.244 -1.549 1.00 0.00 H new ATOM 0 HD2 PRO A 77 11.589 10.352 -0.465 1.00 0.00 H new ATOM 0 HD3 PRO A 77 10.084 10.378 0.433 1.00 0.00 H new ATOM 979 N ARG A 78 11.149 5.546 -2.164 1.00 0.00 N ATOM 980 CA ARG A 78 12.225 4.693 -2.743 1.00 0.00 C ATOM 981 C ARG A 78 12.703 5.314 -4.062 1.00 0.00 C ATOM 982 O ARG A 78 11.914 5.774 -4.864 1.00 0.00 O ATOM 983 CB ARG A 78 11.685 3.263 -2.964 1.00 0.00 C ATOM 984 CG ARG A 78 11.287 3.039 -4.431 1.00 0.00 C ATOM 985 CD ARG A 78 10.479 1.744 -4.550 1.00 0.00 C ATOM 986 NE ARG A 78 11.147 0.828 -5.519 1.00 0.00 N ATOM 987 CZ ARG A 78 12.160 0.094 -5.144 1.00 0.00 C ATOM 988 NH1 ARG A 78 12.606 0.163 -3.918 1.00 0.00 N ATOM 989 NH2 ARG A 78 12.732 -0.710 -5.998 1.00 0.00 N ATOM 0 H ARG A 78 10.196 5.260 -2.391 1.00 0.00 H new ATOM 0 HA ARG A 78 13.072 4.636 -2.059 1.00 0.00 H new ATOM 0 HB2 ARG A 78 12.444 2.536 -2.676 1.00 0.00 H new ATOM 0 HB3 ARG A 78 10.822 3.094 -2.321 1.00 0.00 H new ATOM 0 HG2 ARG A 78 10.698 3.882 -4.792 1.00 0.00 H new ATOM 0 HG3 ARG A 78 12.178 2.983 -5.056 1.00 0.00 H new ATOM 0 HD2 ARG A 78 10.398 1.263 -3.575 1.00 0.00 H new ATOM 0 HD3 ARG A 78 9.465 1.965 -4.882 1.00 0.00 H new ATOM 0 HE ARG A 78 10.811 0.774 -6.480 1.00 0.00 H new ATOM 0 HH11 ARG A 78 12.163 0.792 -3.249 1.00 0.00 H new ATOM 0 HH12 ARG A 78 13.397 -0.412 -3.630 1.00 0.00 H new ATOM 0 HH21 ARG A 78 12.388 -0.764 -6.957 1.00 0.00 H new ATOM 0 HH22 ARG A 78 13.523 -1.284 -5.707 1.00 0.00 H new ATOM 1003 N ARG A 79 13.987 5.331 -4.292 1.00 0.00 N ATOM 1004 CA ARG A 79 14.507 5.922 -5.557 1.00 0.00 C ATOM 1005 C ARG A 79 13.722 5.360 -6.744 1.00 0.00 C ATOM 1006 O ARG A 79 12.830 6.044 -7.217 1.00 0.00 O ATOM 1007 CB ARG A 79 15.988 5.570 -5.715 1.00 0.00 C ATOM 1008 CG ARG A 79 16.817 6.856 -5.757 1.00 0.00 C ATOM 1009 CD ARG A 79 17.924 6.711 -6.804 1.00 0.00 C ATOM 1010 NE ARG A 79 18.424 8.062 -7.185 1.00 0.00 N ATOM 1011 CZ ARG A 79 19.138 8.759 -6.342 1.00 0.00 C ATOM 1012 NH1 ARG A 79 19.422 8.275 -5.164 1.00 0.00 N ATOM 1013 NH2 ARG A 79 19.570 9.943 -6.679 1.00 0.00 N ATOM 1014 OXT ARG A 79 14.025 4.254 -7.157 1.00 0.00 O ATOM 0 H ARG A 79 14.697 4.962 -3.660 1.00 0.00 H new ATOM 0 HA ARG A 79 14.392 7.005 -5.524 1.00 0.00 H new ATOM 0 HB2 ARG A 79 16.314 4.942 -4.886 1.00 0.00 H new ATOM 0 HB3 ARG A 79 16.141 4.996 -6.629 1.00 0.00 H new ATOM 0 HG2 ARG A 79 16.179 7.706 -6.001 1.00 0.00 H new ATOM 0 HG3 ARG A 79 17.251 7.054 -4.777 1.00 0.00 H new ATOM 0 HD2 ARG A 79 18.740 6.108 -6.406 1.00 0.00 H new ATOM 0 HD3 ARG A 79 17.543 6.191 -7.683 1.00 0.00 H new ATOM 0 HE ARG A 79 18.208 8.443 -8.106 1.00 0.00 H new ATOM 0 HH11 ARG A 79 19.086 7.349 -4.899 1.00 0.00 H new ATOM 0 HH12 ARG A 79 19.980 8.822 -4.509 1.00 0.00 H new ATOM 0 HH21 ARG A 79 19.350 10.323 -7.600 1.00 0.00 H new ATOM 0 HH22 ARG A 79 20.128 10.489 -6.022 1.00 0.00 H new TER 1028 ARG A 79