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 154:sc= 0.744 USER MOD Set 1.2: C 25 SER OG : rot 180:sc= 0 USER MOD Single : C 9 THR OG1 : rot -0:sc= 0.856 USER MOD Single : C 14 TYR OH : rot 180:sc= 0 USER MOD Single : C 16 TYR OH : rot 89:sc= 1.28 USER MOD Single : C 20 THR OG1 : rot 180:sc= 0 USER MOD Single : C 22 THR OG1 : rot 170:sc= 0 USER MOD Single : C 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 33 GLN : amide:sc=-0.00343 K(o=-0.0034,f=-1.6!) USER MOD Single : C 36 ASN : amide:sc= -0.266 K(o=-0.27,f=-1.5!) USER MOD Single : C 37 ASN :FLIP amide:sc= -1.25 F(o=-2.9!,f=-1.3) USER MOD Single : C 38 THR OG1 : rot 180:sc= 0 USER MOD Single : C 46 HIS : no HE2:sc= -3.55! C(o=-3.5!,f=-5.5!) 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 USER MOD Single : C 52 GLN : amide:sc= -0.0685 X(o=-0.068,f=-0.15) 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 66:sc= 1.05 USER MOD Single : C 59 ASN : amide:sc= -0.0957 X(o=-0.096,f=0) USER MOD Single : C 60 TYR OH : rot -7:sc= 1.22 USER MOD Single : C 64 SER OG : rot 180:sc= -0.017 USER MOD ----------------------------------------------------------------- ATOM 1 N THR C 9 13.195 30.218 -7.525 1.00 0.00 N ATOM 2 CA THR C 9 14.021 29.260 -6.736 1.00 0.00 C ATOM 3 C THR C 9 13.104 28.363 -5.901 1.00 0.00 C ATOM 4 O THR C 9 11.926 28.621 -5.761 1.00 0.00 O ATOM 5 CB THR C 9 14.956 30.039 -5.808 1.00 0.00 C ATOM 6 OG1 THR C 9 15.010 31.397 -6.223 1.00 0.00 O ATOM 7 CG2 THR C 9 16.358 29.429 -5.864 1.00 0.00 C ATOM 0 HA THR C 9 14.612 28.644 -7.414 1.00 0.00 H new ATOM 0 HB THR C 9 14.581 29.987 -4.786 1.00 0.00 H new ATOM 0 HG1 THR C 9 14.439 31.522 -7.009 1.00 0.00 H new ATOM 0 HG21 THR C 9 17.023 29.984 -5.203 1.00 0.00 H new ATOM 0 HG22 THR C 9 16.315 28.388 -5.544 1.00 0.00 H new ATOM 0 HG23 THR C 9 16.736 29.479 -6.885 1.00 0.00 H new ATOM 15 N PHE C 10 13.636 27.309 -5.346 1.00 0.00 N ATOM 16 CA PHE C 10 12.793 26.397 -4.521 1.00 0.00 C ATOM 17 C PHE C 10 13.236 26.474 -3.058 1.00 0.00 C ATOM 18 O PHE C 10 14.370 26.791 -2.757 1.00 0.00 O ATOM 19 CB PHE C 10 12.946 24.962 -5.028 1.00 0.00 C ATOM 20 CG PHE C 10 11.826 24.653 -6.025 1.00 0.00 C ATOM 21 CD1 PHE C 10 11.382 25.626 -6.901 1.00 0.00 C ATOM 22 CD2 PHE C 10 11.245 23.399 -6.061 1.00 0.00 C ATOM 23 CE1 PHE C 10 10.371 25.349 -7.798 1.00 0.00 C ATOM 24 CE2 PHE C 10 10.234 23.122 -6.960 1.00 0.00 C ATOM 25 CZ PHE C 10 9.797 24.097 -7.827 1.00 0.00 C ATOM 0 H PHE C 10 14.616 27.040 -5.428 1.00 0.00 H new ATOM 0 HA PHE C 10 11.749 26.699 -4.599 1.00 0.00 H new ATOM 0 HB2 PHE C 10 13.918 24.835 -5.505 1.00 0.00 H new ATOM 0 HB3 PHE C 10 12.907 24.263 -4.192 1.00 0.00 H new ATOM 0 HD1 PHE C 10 11.829 26.609 -6.883 1.00 0.00 H new ATOM 0 HD2 PHE C 10 11.584 22.631 -5.382 1.00 0.00 H new ATOM 0 HE1 PHE C 10 10.029 26.115 -8.478 1.00 0.00 H new ATOM 0 HE2 PHE C 10 9.786 22.140 -6.983 1.00 0.00 H new ATOM 0 HZ PHE C 10 9.005 23.881 -8.529 1.00 0.00 H new ATOM 35 N VAL C 11 12.347 26.185 -2.146 1.00 0.00 N ATOM 36 CA VAL C 11 12.714 26.242 -0.703 1.00 0.00 C ATOM 37 C VAL C 11 12.623 24.839 -0.098 1.00 0.00 C ATOM 38 O VAL C 11 11.880 23.998 -0.564 1.00 0.00 O ATOM 39 CB VAL C 11 11.750 27.177 0.029 1.00 0.00 C ATOM 40 CG1 VAL C 11 12.039 27.136 1.531 1.00 0.00 C ATOM 41 CG2 VAL C 11 11.935 28.606 -0.488 1.00 0.00 C ATOM 0 H VAL C 11 11.383 25.912 -2.338 1.00 0.00 H new ATOM 0 HA VAL C 11 13.733 26.616 -0.600 1.00 0.00 H new ATOM 0 HB VAL C 11 10.724 26.855 -0.151 1.00 0.00 H new ATOM 0 HG11 VAL C 11 11.352 27.803 2.052 1.00 0.00 H new ATOM 0 HG12 VAL C 11 11.907 26.119 1.899 1.00 0.00 H new ATOM 0 HG13 VAL C 11 13.064 27.458 1.713 1.00 0.00 H new ATOM 0 HG21 VAL C 11 11.248 29.273 0.033 1.00 0.00 H new ATOM 0 HG22 VAL C 11 12.961 28.928 -0.308 1.00 0.00 H new ATOM 0 HG23 VAL C 11 11.728 28.636 -1.558 1.00 0.00 H new ATOM 51 N ALA C 12 13.372 24.580 0.938 1.00 0.00 N ATOM 52 CA ALA C 12 13.326 23.231 1.570 1.00 0.00 C ATOM 53 C ALA C 12 12.248 23.207 2.656 1.00 0.00 C ATOM 54 O ALA C 12 12.423 23.748 3.731 1.00 0.00 O ATOM 55 CB ALA C 12 14.686 22.915 2.196 1.00 0.00 C ATOM 0 H ALA C 12 14.013 25.243 1.374 1.00 0.00 H new ATOM 0 HA ALA C 12 13.091 22.485 0.811 1.00 0.00 H new ATOM 0 HB1 ALA C 12 14.653 21.929 2.659 1.00 0.00 H new ATOM 0 HB2 ALA C 12 15.454 22.928 1.423 1.00 0.00 H new ATOM 0 HB3 ALA C 12 14.921 23.663 2.953 1.00 0.00 H new ATOM 61 N LEU C 13 11.133 22.583 2.385 1.00 0.00 N ATOM 62 CA LEU C 13 10.044 22.523 3.400 1.00 0.00 C ATOM 63 C LEU C 13 10.475 21.612 4.550 1.00 0.00 C ATOM 64 O LEU C 13 9.881 21.612 5.610 1.00 0.00 O ATOM 65 CB LEU C 13 8.775 21.965 2.753 1.00 0.00 C ATOM 66 CG LEU C 13 8.285 22.933 1.674 1.00 0.00 C ATOM 67 CD1 LEU C 13 7.234 22.240 0.805 1.00 0.00 C ATOM 68 CD2 LEU C 13 7.666 24.167 2.336 1.00 0.00 C ATOM 0 H LEU C 13 10.930 22.112 1.503 1.00 0.00 H new ATOM 0 HA LEU C 13 9.845 23.524 3.783 1.00 0.00 H new ATOM 0 HB2 LEU C 13 8.977 20.987 2.315 1.00 0.00 H new ATOM 0 HB3 LEU C 13 8.001 21.823 3.508 1.00 0.00 H new ATOM 0 HG LEU C 13 9.127 23.238 1.052 1.00 0.00 H new ATOM 0 HD11 LEU C 13 6.885 22.930 0.036 1.00 0.00 H new ATOM 0 HD12 LEU C 13 7.674 21.362 0.332 1.00 0.00 H new ATOM 0 HD13 LEU C 13 6.393 21.934 1.427 1.00 0.00 H new ATOM 0 HD21 LEU C 13 7.317 24.856 1.567 1.00 0.00 H new ATOM 0 HD22 LEU C 13 6.825 23.862 2.959 1.00 0.00 H new ATOM 0 HD23 LEU C 13 8.415 24.662 2.954 1.00 0.00 H new ATOM 80 N TYR C 14 11.503 20.836 4.349 1.00 0.00 N ATOM 81 CA TYR C 14 11.973 19.925 5.431 1.00 0.00 C ATOM 82 C TYR C 14 13.469 19.656 5.258 1.00 0.00 C ATOM 83 O TYR C 14 13.985 19.651 4.157 1.00 0.00 O ATOM 84 CB TYR C 14 11.195 18.611 5.351 1.00 0.00 C ATOM 85 CG TYR C 14 9.699 18.923 5.335 1.00 0.00 C ATOM 86 CD1 TYR C 14 9.061 19.225 4.151 1.00 0.00 C ATOM 87 CD2 TYR C 14 8.973 18.927 6.506 1.00 0.00 C ATOM 88 CE1 TYR C 14 7.716 19.528 4.137 1.00 0.00 C ATOM 89 CE2 TYR C 14 7.627 19.229 6.495 1.00 0.00 C ATOM 90 CZ TYR C 14 6.987 19.533 5.310 1.00 0.00 C ATOM 91 OH TYR C 14 5.640 19.835 5.298 1.00 0.00 O ATOM 0 H TYR C 14 12.039 20.793 3.482 1.00 0.00 H new ATOM 0 HA TYR C 14 11.805 20.388 6.404 1.00 0.00 H new ATOM 0 HB2 TYR C 14 11.475 18.061 4.453 1.00 0.00 H new ATOM 0 HB3 TYR C 14 11.439 17.976 6.203 1.00 0.00 H new ATOM 0 HD1 TYR C 14 9.619 19.224 3.227 1.00 0.00 H new ATOM 0 HD2 TYR C 14 9.462 18.692 7.440 1.00 0.00 H new ATOM 0 HE1 TYR C 14 7.229 19.763 3.202 1.00 0.00 H new ATOM 0 HE2 TYR C 14 7.070 19.228 7.420 1.00 0.00 H new ATOM 0 HH TYR C 14 5.287 19.790 6.211 1.00 0.00 H new ATOM 101 N ASP C 15 14.170 19.434 6.335 1.00 0.00 N ATOM 102 CA ASP C 15 15.631 19.167 6.236 1.00 0.00 C ATOM 103 C ASP C 15 15.867 17.779 5.634 1.00 0.00 C ATOM 104 O ASP C 15 15.423 16.779 6.164 1.00 0.00 O ATOM 105 CB ASP C 15 16.251 19.227 7.632 1.00 0.00 C ATOM 106 CG ASP C 15 15.335 18.515 8.630 1.00 0.00 C ATOM 107 OD1 ASP C 15 15.326 17.295 8.629 1.00 0.00 O ATOM 108 OD2 ASP C 15 14.658 19.201 9.377 1.00 0.00 O ATOM 0 H ASP C 15 13.792 19.426 7.282 1.00 0.00 H new ATOM 0 HA ASP C 15 16.092 19.919 5.595 1.00 0.00 H new ATOM 0 HB2 ASP C 15 17.234 18.756 7.625 1.00 0.00 H new ATOM 0 HB3 ASP C 15 16.396 20.265 7.932 1.00 0.00 H new ATOM 113 N TYR C 16 16.563 17.712 4.532 1.00 0.00 N ATOM 114 CA TYR C 16 16.829 16.391 3.896 1.00 0.00 C ATOM 115 C TYR C 16 18.269 15.969 4.195 1.00 0.00 C ATOM 116 O TYR C 16 19.214 16.637 3.817 1.00 0.00 O ATOM 117 CB TYR C 16 16.636 16.501 2.382 1.00 0.00 C ATOM 118 CG TYR C 16 17.180 15.238 1.708 1.00 0.00 C ATOM 119 CD1 TYR C 16 16.760 13.990 2.119 1.00 0.00 C ATOM 120 CD2 TYR C 16 18.099 15.330 0.682 1.00 0.00 C ATOM 121 CE1 TYR C 16 17.252 12.850 1.515 1.00 0.00 C ATOM 122 CE2 TYR C 16 18.592 14.190 0.077 1.00 0.00 C ATOM 123 CZ TYR C 16 18.171 12.941 0.490 1.00 0.00 C ATOM 124 OH TYR C 16 18.661 11.800 -0.113 1.00 0.00 O ATOM 0 H TYR C 16 16.959 18.516 4.044 1.00 0.00 H new ATOM 0 HA TYR C 16 16.137 15.649 4.295 1.00 0.00 H new ATOM 0 HB2 TYR C 16 15.579 16.626 2.147 1.00 0.00 H new ATOM 0 HB3 TYR C 16 17.153 17.382 2.001 1.00 0.00 H new ATOM 0 HD1 TYR C 16 16.040 13.904 2.920 1.00 0.00 H new ATOM 0 HD2 TYR C 16 18.435 16.301 0.350 1.00 0.00 H new ATOM 0 HE1 TYR C 16 16.915 11.879 1.848 1.00 0.00 H new ATOM 0 HE2 TYR C 16 19.311 14.276 -0.724 1.00 0.00 H new ATOM 0 HH TYR C 16 18.075 11.545 -0.856 1.00 0.00 H new ATOM 134 N GLU C 17 18.442 14.866 4.871 1.00 0.00 N ATOM 135 CA GLU C 17 19.818 14.397 5.198 1.00 0.00 C ATOM 136 C GLU C 17 20.294 13.425 4.116 1.00 0.00 C ATOM 137 O GLU C 17 20.107 12.228 4.217 1.00 0.00 O ATOM 138 CB GLU C 17 19.805 13.684 6.552 1.00 0.00 C ATOM 139 CG GLU C 17 20.971 14.188 7.405 1.00 0.00 C ATOM 140 CD GLU C 17 21.204 13.223 8.569 1.00 0.00 C ATOM 141 OE1 GLU C 17 20.229 12.799 9.167 1.00 0.00 O ATOM 142 OE2 GLU C 17 22.355 12.923 8.842 1.00 0.00 O ATOM 0 H GLU C 17 17.688 14.269 5.211 1.00 0.00 H new ATOM 0 HA GLU C 17 20.493 15.252 5.243 1.00 0.00 H new ATOM 0 HB2 GLU C 17 18.860 13.869 7.063 1.00 0.00 H new ATOM 0 HB3 GLU C 17 19.885 12.606 6.408 1.00 0.00 H new ATOM 0 HG2 GLU C 17 21.873 14.267 6.798 1.00 0.00 H new ATOM 0 HG3 GLU C 17 20.754 15.187 7.784 1.00 0.00 H new ATOM 149 N SER C 18 20.906 13.928 3.081 1.00 0.00 N ATOM 150 CA SER C 18 21.393 13.031 1.995 1.00 0.00 C ATOM 151 C SER C 18 22.164 11.862 2.610 1.00 0.00 C ATOM 152 O SER C 18 22.884 12.020 3.575 1.00 0.00 O ATOM 153 CB SER C 18 22.316 13.814 1.060 1.00 0.00 C ATOM 154 OG SER C 18 23.665 13.629 1.464 1.00 0.00 O ATOM 0 H SER C 18 21.090 14.921 2.939 1.00 0.00 H new ATOM 0 HA SER C 18 20.543 12.650 1.429 1.00 0.00 H new ATOM 0 HB2 SER C 18 22.183 13.475 0.033 1.00 0.00 H new ATOM 0 HB3 SER C 18 22.060 14.873 1.082 1.00 0.00 H new ATOM 0 HG SER C 18 24.257 13.744 0.691 1.00 0.00 H new ATOM 160 N ARG C 19 22.021 10.688 2.059 1.00 0.00 N ATOM 161 CA ARG C 19 22.749 9.513 2.615 1.00 0.00 C ATOM 162 C ARG C 19 23.928 9.168 1.704 1.00 0.00 C ATOM 163 O ARG C 19 24.877 8.530 2.115 1.00 0.00 O ATOM 164 CB ARG C 19 21.797 8.317 2.700 1.00 0.00 C ATOM 165 CG ARG C 19 20.989 8.404 3.995 1.00 0.00 C ATOM 166 CD ARG C 19 19.858 7.375 3.962 1.00 0.00 C ATOM 167 NE ARG C 19 19.885 6.571 5.217 1.00 0.00 N ATOM 168 CZ ARG C 19 19.404 7.070 6.324 1.00 0.00 C ATOM 169 NH1 ARG C 19 18.905 8.277 6.339 1.00 0.00 N ATOM 170 NH2 ARG C 19 19.425 6.362 7.420 1.00 0.00 N ATOM 0 H ARG C 19 21.433 10.492 1.249 1.00 0.00 H new ATOM 0 HA ARG C 19 23.120 9.751 3.612 1.00 0.00 H new ATOM 0 HB2 ARG C 19 21.127 8.309 1.840 1.00 0.00 H new ATOM 0 HB3 ARG C 19 22.362 7.385 2.673 1.00 0.00 H new ATOM 0 HG2 ARG C 19 21.636 8.221 4.853 1.00 0.00 H new ATOM 0 HG3 ARG C 19 20.579 9.407 4.113 1.00 0.00 H new ATOM 0 HD2 ARG C 19 18.896 7.878 3.860 1.00 0.00 H new ATOM 0 HD3 ARG C 19 19.970 6.722 3.096 1.00 0.00 H new ATOM 0 HE ARG C 19 20.279 5.630 5.211 1.00 0.00 H new ATOM 0 HH11 ARG C 19 18.890 8.833 5.484 1.00 0.00 H new ATOM 0 HH12 ARG C 19 18.530 8.663 7.206 1.00 0.00 H new ATOM 0 HH21 ARG C 19 19.817 5.420 7.411 1.00 0.00 H new ATOM 0 HH22 ARG C 19 19.050 6.750 8.285 1.00 0.00 H new ATOM 184 N THR C 20 23.877 9.589 0.469 1.00 0.00 N ATOM 185 CA THR C 20 24.994 9.287 -0.469 1.00 0.00 C ATOM 186 C THR C 20 25.683 10.597 -0.874 1.00 0.00 C ATOM 187 O THR C 20 25.185 11.676 -0.622 1.00 0.00 O ATOM 188 CB THR C 20 24.434 8.577 -1.707 1.00 0.00 C ATOM 189 OG1 THR C 20 24.174 7.217 -1.387 1.00 0.00 O ATOM 190 CG2 THR C 20 25.445 8.644 -2.853 1.00 0.00 C ATOM 0 H THR C 20 23.109 10.129 0.070 1.00 0.00 H new ATOM 0 HA THR C 20 25.723 8.637 0.015 1.00 0.00 H new ATOM 0 HB THR C 20 23.512 9.069 -2.017 1.00 0.00 H new ATOM 0 HG1 THR C 20 23.814 6.759 -2.175 1.00 0.00 H new ATOM 0 HG21 THR C 20 25.038 8.137 -3.728 1.00 0.00 H new ATOM 0 HG22 THR C 20 25.647 9.686 -3.099 1.00 0.00 H new ATOM 0 HG23 THR C 20 26.372 8.157 -2.550 1.00 0.00 H new ATOM 198 N GLU C 21 26.827 10.508 -1.499 1.00 0.00 N ATOM 199 CA GLU C 21 27.554 11.741 -1.921 1.00 0.00 C ATOM 200 C GLU C 21 26.793 12.474 -3.032 1.00 0.00 C ATOM 201 O GLU C 21 26.462 13.636 -2.903 1.00 0.00 O ATOM 202 CB GLU C 21 28.944 11.359 -2.434 1.00 0.00 C ATOM 203 CG GLU C 21 29.935 12.480 -2.109 1.00 0.00 C ATOM 204 CD GLU C 21 30.888 12.677 -3.290 1.00 0.00 C ATOM 205 OE1 GLU C 21 31.852 11.935 -3.378 1.00 0.00 O ATOM 206 OE2 GLU C 21 30.637 13.569 -4.084 1.00 0.00 O ATOM 0 H GLU C 21 27.291 9.631 -1.736 1.00 0.00 H new ATOM 0 HA GLU C 21 27.637 12.404 -1.060 1.00 0.00 H new ATOM 0 HB2 GLU C 21 29.270 10.426 -1.973 1.00 0.00 H new ATOM 0 HB3 GLU C 21 28.912 11.188 -3.510 1.00 0.00 H new ATOM 0 HG2 GLU C 21 29.398 13.406 -1.903 1.00 0.00 H new ATOM 0 HG3 GLU C 21 30.499 12.232 -1.210 1.00 0.00 H new ATOM 213 N THR C 22 26.519 11.809 -4.119 1.00 0.00 N ATOM 214 CA THR C 22 25.784 12.473 -5.237 1.00 0.00 C ATOM 215 C THR C 22 24.647 13.340 -4.691 1.00 0.00 C ATOM 216 O THR C 22 24.468 14.466 -5.111 1.00 0.00 O ATOM 217 CB THR C 22 25.210 11.422 -6.195 1.00 0.00 C ATOM 218 OG1 THR C 22 24.132 11.990 -6.923 1.00 0.00 O ATOM 219 CG2 THR C 22 24.713 10.209 -5.409 1.00 0.00 C ATOM 0 H THR C 22 26.771 10.835 -4.284 1.00 0.00 H new ATOM 0 HA THR C 22 26.487 13.107 -5.778 1.00 0.00 H new ATOM 0 HB THR C 22 25.991 11.101 -6.884 1.00 0.00 H new ATOM 0 HG1 THR C 22 23.868 11.381 -7.644 1.00 0.00 H new ATOM 0 HG21 THR C 22 24.308 9.469 -6.099 1.00 0.00 H new ATOM 0 HG22 THR C 22 25.542 9.771 -4.853 1.00 0.00 H new ATOM 0 HG23 THR C 22 23.934 10.521 -4.713 1.00 0.00 H new ATOM 227 N ASP C 23 23.884 12.842 -3.757 1.00 0.00 N ATOM 228 CA ASP C 23 22.765 13.662 -3.203 1.00 0.00 C ATOM 229 C ASP C 23 23.296 14.562 -2.087 1.00 0.00 C ATOM 230 O ASP C 23 23.938 14.108 -1.161 1.00 0.00 O ATOM 231 CB ASP C 23 21.669 12.747 -2.642 1.00 0.00 C ATOM 232 CG ASP C 23 21.692 11.401 -3.371 1.00 0.00 C ATOM 233 OD1 ASP C 23 22.507 10.569 -3.011 1.00 0.00 O ATOM 234 OD2 ASP C 23 20.893 11.222 -4.274 1.00 0.00 O ATOM 0 H ASP C 23 23.984 11.910 -3.355 1.00 0.00 H new ATOM 0 HA ASP C 23 22.345 14.275 -4.001 1.00 0.00 H new ATOM 0 HB2 ASP C 23 21.822 12.595 -1.574 1.00 0.00 H new ATOM 0 HB3 ASP C 23 20.693 13.218 -2.761 1.00 0.00 H new ATOM 239 N LEU C 24 23.031 15.837 -2.167 1.00 0.00 N ATOM 240 CA LEU C 24 23.519 16.769 -1.113 1.00 0.00 C ATOM 241 C LEU C 24 22.470 16.892 -0.006 1.00 0.00 C ATOM 242 O LEU C 24 21.344 16.462 -0.153 1.00 0.00 O ATOM 243 CB LEU C 24 23.767 18.147 -1.728 1.00 0.00 C ATOM 244 CG LEU C 24 25.270 18.355 -1.925 1.00 0.00 C ATOM 245 CD1 LEU C 24 25.875 17.117 -2.590 1.00 0.00 C ATOM 246 CD2 LEU C 24 25.498 19.576 -2.817 1.00 0.00 C ATOM 0 H LEU C 24 22.497 16.274 -2.918 1.00 0.00 H new ATOM 0 HA LEU C 24 24.447 16.381 -0.692 1.00 0.00 H new ATOM 0 HB2 LEU C 24 23.249 18.229 -2.684 1.00 0.00 H new ATOM 0 HB3 LEU C 24 23.363 18.924 -1.079 1.00 0.00 H new ATOM 0 HG LEU C 24 25.746 18.515 -0.958 1.00 0.00 H new ATOM 0 HD11 LEU C 24 26.946 17.266 -2.730 1.00 0.00 H new ATOM 0 HD12 LEU C 24 25.710 16.246 -1.956 1.00 0.00 H new ATOM 0 HD13 LEU C 24 25.401 16.956 -3.558 1.00 0.00 H new ATOM 0 HD21 LEU C 24 26.568 19.728 -2.960 1.00 0.00 H new ATOM 0 HD22 LEU C 24 25.022 19.414 -3.784 1.00 0.00 H new ATOM 0 HD23 LEU C 24 25.067 20.458 -2.344 1.00 0.00 H new ATOM 258 N SER C 25 22.835 17.476 1.101 1.00 0.00 N ATOM 259 CA SER C 25 21.867 17.630 2.220 1.00 0.00 C ATOM 260 C SER C 25 21.505 19.109 2.375 1.00 0.00 C ATOM 261 O SER C 25 22.344 19.978 2.244 1.00 0.00 O ATOM 262 CB SER C 25 22.508 17.125 3.511 1.00 0.00 C ATOM 263 OG SER C 25 23.830 16.678 3.240 1.00 0.00 O ATOM 0 H SER C 25 23.765 17.854 1.279 1.00 0.00 H new ATOM 0 HA SER C 25 20.965 17.055 2.010 1.00 0.00 H new ATOM 0 HB2 SER C 25 22.527 17.921 4.256 1.00 0.00 H new ATOM 0 HB3 SER C 25 21.916 16.311 3.929 1.00 0.00 H new ATOM 0 HG SER C 25 24.243 16.355 4.068 1.00 0.00 H new ATOM 269 N PHE C 26 20.265 19.404 2.658 1.00 0.00 N ATOM 270 CA PHE C 26 19.866 20.831 2.819 1.00 0.00 C ATOM 271 C PHE C 26 18.917 20.972 4.011 1.00 0.00 C ATOM 272 O PHE C 26 17.853 20.388 4.044 1.00 0.00 O ATOM 273 CB PHE C 26 19.167 21.324 1.547 1.00 0.00 C ATOM 274 CG PHE C 26 18.026 20.373 1.179 1.00 0.00 C ATOM 275 CD1 PHE C 26 16.768 20.551 1.722 1.00 0.00 C ATOM 276 CD2 PHE C 26 18.235 19.335 0.290 1.00 0.00 C ATOM 277 CE1 PHE C 26 15.733 19.704 1.382 1.00 0.00 C ATOM 278 CE2 PHE C 26 17.200 18.488 -0.050 1.00 0.00 C ATOM 279 CZ PHE C 26 15.949 18.672 0.496 1.00 0.00 C ATOM 0 H PHE C 26 19.516 18.723 2.784 1.00 0.00 H new ATOM 0 HA PHE C 26 20.759 21.431 2.994 1.00 0.00 H new ATOM 0 HB2 PHE C 26 18.778 22.330 1.702 1.00 0.00 H new ATOM 0 HB3 PHE C 26 19.883 21.382 0.727 1.00 0.00 H new ATOM 0 HD1 PHE C 26 16.594 21.359 2.417 1.00 0.00 H new ATOM 0 HD2 PHE C 26 19.214 19.186 -0.141 1.00 0.00 H new ATOM 0 HE1 PHE C 26 14.753 19.851 1.811 1.00 0.00 H new ATOM 0 HE2 PHE C 26 17.371 17.680 -0.745 1.00 0.00 H new ATOM 0 HZ PHE C 26 15.139 18.009 0.230 1.00 0.00 H new ATOM 289 N LYS C 27 19.295 21.748 4.990 1.00 0.00 N ATOM 290 CA LYS C 27 18.418 21.929 6.181 1.00 0.00 C ATOM 291 C LYS C 27 17.187 22.750 5.790 1.00 0.00 C ATOM 292 O LYS C 27 17.128 23.325 4.721 1.00 0.00 O ATOM 293 CB LYS C 27 19.194 22.665 7.277 1.00 0.00 C ATOM 294 CG LYS C 27 20.407 21.830 7.692 1.00 0.00 C ATOM 295 CD LYS C 27 21.646 22.726 7.756 1.00 0.00 C ATOM 296 CE LYS C 27 22.623 22.325 6.647 1.00 0.00 C ATOM 297 NZ LYS C 27 23.550 23.457 6.368 1.00 0.00 N ATOM 0 H LYS C 27 20.174 22.265 5.016 1.00 0.00 H new ATOM 0 HA LYS C 27 18.101 20.954 6.550 1.00 0.00 H new ATOM 0 HB2 LYS C 27 19.518 23.641 6.915 1.00 0.00 H new ATOM 0 HB3 LYS C 27 18.549 22.842 8.138 1.00 0.00 H new ATOM 0 HG2 LYS C 27 20.229 21.368 8.663 1.00 0.00 H new ATOM 0 HG3 LYS C 27 20.566 21.021 6.979 1.00 0.00 H new ATOM 0 HD2 LYS C 27 21.359 23.771 7.642 1.00 0.00 H new ATOM 0 HD3 LYS C 27 22.126 22.632 8.730 1.00 0.00 H new ATOM 0 HE2 LYS C 27 23.189 21.443 6.948 1.00 0.00 H new ATOM 0 HE3 LYS C 27 22.075 22.059 5.743 1.00 0.00 H new ATOM 0 HZ1 LYS C 27 24.214 23.185 5.615 1.00 0.00 H new ATOM 0 HZ2 LYS C 27 23.002 24.287 6.064 1.00 0.00 H new ATOM 0 HZ3 LYS C 27 24.082 23.691 7.230 1.00 0.00 H new ATOM 311 N LYS C 28 16.203 22.807 6.646 1.00 0.00 N ATOM 312 CA LYS C 28 14.978 23.591 6.321 1.00 0.00 C ATOM 313 C LYS C 28 15.338 25.073 6.197 1.00 0.00 C ATOM 314 O LYS C 28 16.134 25.595 6.953 1.00 0.00 O ATOM 315 CB LYS C 28 13.946 23.409 7.437 1.00 0.00 C ATOM 316 CG LYS C 28 12.800 24.404 7.243 1.00 0.00 C ATOM 317 CD LYS C 28 11.494 23.782 7.742 1.00 0.00 C ATOM 318 CE LYS C 28 10.703 24.825 8.536 1.00 0.00 C ATOM 319 NZ LYS C 28 10.124 24.188 9.752 1.00 0.00 N ATOM 0 H LYS C 28 16.195 22.345 7.555 1.00 0.00 H new ATOM 0 HA LYS C 28 14.561 23.239 5.378 1.00 0.00 H new ATOM 0 HB2 LYS C 28 13.561 22.389 7.428 1.00 0.00 H new ATOM 0 HB3 LYS C 28 14.415 23.564 8.409 1.00 0.00 H new ATOM 0 HG2 LYS C 28 13.008 25.325 7.788 1.00 0.00 H new ATOM 0 HG3 LYS C 28 12.709 24.670 6.190 1.00 0.00 H new ATOM 0 HD2 LYS C 28 10.903 23.426 6.898 1.00 0.00 H new ATOM 0 HD3 LYS C 28 11.707 22.917 8.369 1.00 0.00 H new ATOM 0 HE2 LYS C 28 11.354 25.652 8.820 1.00 0.00 H new ATOM 0 HE3 LYS C 28 9.908 25.243 7.918 1.00 0.00 H new ATOM 0 HZ1 LYS C 28 9.586 24.896 10.292 1.00 0.00 H new ATOM 0 HZ2 LYS C 28 9.490 23.413 9.470 1.00 0.00 H new ATOM 0 HZ3 LYS C 28 10.891 23.810 10.344 1.00 0.00 H new ATOM 333 N GLY C 29 14.760 25.755 5.246 1.00 0.00 N ATOM 334 CA GLY C 29 15.070 27.202 5.075 1.00 0.00 C ATOM 335 C GLY C 29 16.193 27.368 4.047 1.00 0.00 C ATOM 336 O GLY C 29 16.666 28.461 3.804 1.00 0.00 O ATOM 0 H GLY C 29 14.087 25.373 4.581 1.00 0.00 H new ATOM 0 HA2 GLY C 29 14.180 27.739 4.746 1.00 0.00 H new ATOM 0 HA3 GLY C 29 15.370 27.635 6.029 1.00 0.00 H new ATOM 340 N GLU C 30 16.625 26.296 3.441 1.00 0.00 N ATOM 341 CA GLU C 30 17.716 26.398 2.432 1.00 0.00 C ATOM 342 C GLU C 30 17.106 26.626 1.046 1.00 0.00 C ATOM 343 O GLU C 30 16.003 26.199 0.766 1.00 0.00 O ATOM 344 CB GLU C 30 18.531 25.103 2.426 1.00 0.00 C ATOM 345 CG GLU C 30 19.830 25.320 1.649 1.00 0.00 C ATOM 346 CD GLU C 30 21.021 25.203 2.602 1.00 0.00 C ATOM 347 OE1 GLU C 30 21.203 26.102 3.406 1.00 0.00 O ATOM 348 OE2 GLU C 30 21.732 24.215 2.510 1.00 0.00 O ATOM 0 H GLU C 30 16.269 25.354 3.601 1.00 0.00 H new ATOM 0 HA GLU C 30 18.369 27.234 2.685 1.00 0.00 H new ATOM 0 HB2 GLU C 30 18.753 24.796 3.448 1.00 0.00 H new ATOM 0 HB3 GLU C 30 17.953 24.299 1.971 1.00 0.00 H new ATOM 0 HG2 GLU C 30 19.916 24.583 0.851 1.00 0.00 H new ATOM 0 HG3 GLU C 30 19.824 26.302 1.177 1.00 0.00 H new ATOM 355 N ARG C 31 17.815 27.294 0.178 1.00 0.00 N ATOM 356 CA ARG C 31 17.274 27.547 -1.187 1.00 0.00 C ATOM 357 C ARG C 31 18.092 26.763 -2.215 1.00 0.00 C ATOM 358 O ARG C 31 19.297 26.898 -2.298 1.00 0.00 O ATOM 359 CB ARG C 31 17.360 29.042 -1.501 1.00 0.00 C ATOM 360 CG ARG C 31 16.536 29.826 -0.477 1.00 0.00 C ATOM 361 CD ARG C 31 16.773 31.325 -0.672 1.00 0.00 C ATOM 362 NE ARG C 31 15.769 31.865 -1.632 1.00 0.00 N ATOM 363 CZ ARG C 31 15.692 33.152 -1.847 1.00 0.00 C ATOM 364 NH1 ARG C 31 16.494 33.971 -1.222 1.00 0.00 N ATOM 365 NH2 ARG C 31 14.811 33.619 -2.689 1.00 0.00 N ATOM 0 H ARG C 31 18.744 27.675 0.355 1.00 0.00 H new ATOM 0 HA ARG C 31 16.233 27.225 -1.230 1.00 0.00 H new ATOM 0 HB2 ARG C 31 18.399 29.371 -1.476 1.00 0.00 H new ATOM 0 HB3 ARG C 31 16.989 29.235 -2.507 1.00 0.00 H new ATOM 0 HG2 ARG C 31 15.477 29.596 -0.594 1.00 0.00 H new ATOM 0 HG3 ARG C 31 16.817 29.531 0.534 1.00 0.00 H new ATOM 0 HD2 ARG C 31 16.695 31.844 0.283 1.00 0.00 H new ATOM 0 HD3 ARG C 31 17.781 31.499 -1.047 1.00 0.00 H new ATOM 0 HE ARG C 31 15.140 31.229 -2.122 1.00 0.00 H new ATOM 0 HH11 ARG C 31 17.183 33.607 -0.564 1.00 0.00 H new ATOM 0 HH12 ARG C 31 16.432 34.975 -1.392 1.00 0.00 H new ATOM 0 HH21 ARG C 31 14.184 32.980 -3.178 1.00 0.00 H new ATOM 0 HH22 ARG C 31 14.749 34.623 -2.858 1.00 0.00 H new ATOM 379 N LEU C 32 17.448 25.942 -2.998 1.00 0.00 N ATOM 380 CA LEU C 32 18.189 25.149 -4.019 1.00 0.00 C ATOM 381 C LEU C 32 17.518 25.321 -5.383 1.00 0.00 C ATOM 382 O LEU C 32 16.330 25.563 -5.474 1.00 0.00 O ATOM 383 CB LEU C 32 18.177 23.672 -3.624 1.00 0.00 C ATOM 384 CG LEU C 32 18.700 23.522 -2.195 1.00 0.00 C ATOM 385 CD1 LEU C 32 17.531 23.241 -1.249 1.00 0.00 C ATOM 386 CD2 LEU C 32 19.694 22.359 -2.137 1.00 0.00 C ATOM 0 H LEU C 32 16.440 25.786 -2.975 1.00 0.00 H new ATOM 0 HA LEU C 32 19.219 25.500 -4.076 1.00 0.00 H new ATOM 0 HB2 LEU C 32 17.165 23.274 -3.696 1.00 0.00 H new ATOM 0 HB3 LEU C 32 18.796 23.096 -4.312 1.00 0.00 H new ATOM 0 HG LEU C 32 19.198 24.443 -1.892 1.00 0.00 H new ATOM 0 HD11 LEU C 32 17.905 23.134 -0.231 1.00 0.00 H new ATOM 0 HD12 LEU C 32 16.822 24.068 -1.291 1.00 0.00 H new ATOM 0 HD13 LEU C 32 17.032 22.320 -1.551 1.00 0.00 H new ATOM 0 HD21 LEU C 32 20.068 22.250 -1.119 1.00 0.00 H new ATOM 0 HD22 LEU C 32 19.195 21.439 -2.440 1.00 0.00 H new ATOM 0 HD23 LEU C 32 20.528 22.559 -2.810 1.00 0.00 H new ATOM 398 N GLN C 33 18.266 25.196 -6.444 1.00 0.00 N ATOM 399 CA GLN C 33 17.668 25.352 -7.800 1.00 0.00 C ATOM 400 C GLN C 33 17.151 23.997 -8.288 1.00 0.00 C ATOM 401 O GLN C 33 17.738 22.967 -8.026 1.00 0.00 O ATOM 402 CB GLN C 33 18.732 25.869 -8.770 1.00 0.00 C ATOM 403 CG GLN C 33 18.116 26.034 -10.161 1.00 0.00 C ATOM 404 CD GLN C 33 18.915 25.211 -11.175 1.00 0.00 C ATOM 405 OE1 GLN C 33 18.451 24.194 -11.649 1.00 0.00 O ATOM 406 NE2 GLN C 33 20.106 25.612 -11.527 1.00 0.00 N ATOM 0 H GLN C 33 19.265 24.993 -6.431 1.00 0.00 H new ATOM 0 HA GLN C 33 16.842 26.062 -7.753 1.00 0.00 H new ATOM 0 HB2 GLN C 33 19.126 26.823 -8.420 1.00 0.00 H new ATOM 0 HB3 GLN C 33 19.570 25.174 -8.812 1.00 0.00 H new ATOM 0 HG2 GLN C 33 17.076 25.708 -10.151 1.00 0.00 H new ATOM 0 HG3 GLN C 33 18.117 27.085 -10.448 1.00 0.00 H new ATOM 0 HE21 GLN C 33 20.495 26.466 -11.128 1.00 0.00 H new ATOM 0 HE22 GLN C 33 20.648 25.071 -12.201 1.00 0.00 H new ATOM 415 N ILE C 34 16.054 23.990 -8.993 1.00 0.00 N ATOM 416 CA ILE C 34 15.502 22.702 -9.496 1.00 0.00 C ATOM 417 C ILE C 34 16.007 22.453 -10.919 1.00 0.00 C ATOM 418 O ILE C 34 15.823 23.264 -11.805 1.00 0.00 O ATOM 419 CB ILE C 34 13.974 22.766 -9.498 1.00 0.00 C ATOM 420 CG1 ILE C 34 13.476 23.098 -8.090 1.00 0.00 C ATOM 421 CG2 ILE C 34 13.408 21.412 -9.932 1.00 0.00 C ATOM 422 CD1 ILE C 34 14.037 22.078 -7.098 1.00 0.00 C ATOM 0 H ILE C 34 15.516 24.820 -9.242 1.00 0.00 H new ATOM 0 HA ILE C 34 15.828 21.889 -8.848 1.00 0.00 H new ATOM 0 HB ILE C 34 13.643 23.538 -10.192 1.00 0.00 H new ATOM 0 HG12 ILE C 34 13.789 24.104 -7.810 1.00 0.00 H new ATOM 0 HG13 ILE C 34 12.386 23.084 -8.065 1.00 0.00 H new ATOM 0 HG21 ILE C 34 12.319 21.457 -9.934 1.00 0.00 H new ATOM 0 HG22 ILE C 34 13.763 21.174 -10.935 1.00 0.00 H new ATOM 0 HG23 ILE C 34 13.738 20.640 -9.237 1.00 0.00 H new ATOM 0 HD11 ILE C 34 13.683 22.314 -6.094 1.00 0.00 H new ATOM 0 HD12 ILE C 34 13.702 21.078 -7.376 1.00 0.00 H new ATOM 0 HD13 ILE C 34 15.126 22.114 -7.116 1.00 0.00 H new ATOM 434 N VAL C 35 16.641 21.337 -11.143 1.00 0.00 N ATOM 435 CA VAL C 35 17.159 21.031 -12.507 1.00 0.00 C ATOM 436 C VAL C 35 16.022 20.492 -13.373 1.00 0.00 C ATOM 437 O VAL C 35 15.732 21.014 -14.432 1.00 0.00 O ATOM 438 CB VAL C 35 18.270 19.983 -12.407 1.00 0.00 C ATOM 439 CG1 VAL C 35 18.762 19.627 -13.811 1.00 0.00 C ATOM 440 CG2 VAL C 35 19.433 20.547 -11.588 1.00 0.00 C ATOM 0 H VAL C 35 16.824 20.621 -10.440 1.00 0.00 H new ATOM 0 HA VAL C 35 17.558 21.939 -12.958 1.00 0.00 H new ATOM 0 HB VAL C 35 17.882 19.089 -11.919 1.00 0.00 H new ATOM 0 HG11 VAL C 35 19.553 18.881 -13.741 1.00 0.00 H new ATOM 0 HG12 VAL C 35 17.935 19.225 -14.395 1.00 0.00 H new ATOM 0 HG13 VAL C 35 19.149 20.522 -14.299 1.00 0.00 H new ATOM 0 HG21 VAL C 35 20.224 19.800 -11.517 1.00 0.00 H new ATOM 0 HG22 VAL C 35 19.821 21.441 -12.075 1.00 0.00 H new ATOM 0 HG23 VAL C 35 19.084 20.802 -10.587 1.00 0.00 H new ATOM 450 N ASN C 36 15.378 19.453 -12.931 1.00 0.00 N ATOM 451 CA ASN C 36 14.257 18.872 -13.723 1.00 0.00 C ATOM 452 C ASN C 36 13.375 18.024 -12.807 1.00 0.00 C ATOM 453 O ASN C 36 13.839 17.448 -11.844 1.00 0.00 O ATOM 454 CB ASN C 36 14.822 17.997 -14.843 1.00 0.00 C ATOM 455 CG ASN C 36 14.101 18.319 -16.154 1.00 0.00 C ATOM 456 OD1 ASN C 36 13.746 19.454 -16.402 1.00 0.00 O ATOM 457 ND2 ASN C 36 13.867 17.361 -17.009 1.00 0.00 N ATOM 0 H ASN C 36 15.578 18.977 -12.052 1.00 0.00 H new ATOM 0 HA ASN C 36 13.663 19.676 -14.158 1.00 0.00 H new ATOM 0 HB2 ASN C 36 15.892 18.172 -14.951 1.00 0.00 H new ATOM 0 HB3 ASN C 36 14.695 16.943 -14.595 1.00 0.00 H new ATOM 0 HD21 ASN C 36 13.386 17.565 -17.885 1.00 0.00 H new ATOM 0 HD22 ASN C 36 14.165 16.408 -16.801 1.00 0.00 H new ATOM 464 N ASN C 37 12.105 17.942 -13.097 1.00 0.00 N ATOM 465 CA ASN C 37 11.199 17.129 -12.239 1.00 0.00 C ATOM 466 C ASN C 37 9.817 17.043 -12.888 1.00 0.00 C ATOM 467 O ASN C 37 9.426 17.901 -13.654 1.00 0.00 O ATOM 468 CB ASN C 37 11.075 17.789 -10.864 1.00 0.00 C ATOM 469 CG ASN C 37 10.287 19.094 -10.994 1.00 0.00 C ATOM 470 OD1 ASN C 37 10.928 20.211 -11.209 1.00 0.00 O flip ATOM 471 ND2 ASN C 37 9.076 19.097 -10.900 1.00 0.00 N flip ATOM 0 H ASN C 37 11.657 18.402 -13.889 1.00 0.00 H new ATOM 0 HA ASN C 37 11.609 16.125 -12.128 1.00 0.00 H new ATOM 0 HB2 ASN C 37 10.572 17.116 -10.170 1.00 0.00 H new ATOM 0 HB3 ASN C 37 12.065 17.989 -10.454 1.00 0.00 H new ATOM 0 HD21 ASN C 37 8.575 18.224 -10.732 1.00 0.00 H new ATOM 0 HD22 ASN C 37 8.560 19.972 -10.989 1.00 0.00 H new ATOM 478 N THR C 38 9.074 16.013 -12.588 1.00 0.00 N ATOM 479 CA THR C 38 7.717 15.874 -13.188 1.00 0.00 C ATOM 480 C THR C 38 7.067 14.584 -12.690 1.00 0.00 C ATOM 481 O THR C 38 5.904 14.558 -12.341 1.00 0.00 O ATOM 482 CB THR C 38 7.836 15.829 -14.713 1.00 0.00 C ATOM 483 OG1 THR C 38 6.540 15.891 -15.289 1.00 0.00 O ATOM 484 CG2 THR C 38 8.523 14.530 -15.135 1.00 0.00 C ATOM 0 H THR C 38 9.348 15.262 -11.954 1.00 0.00 H new ATOM 0 HA THR C 38 7.103 16.726 -12.896 1.00 0.00 H new ATOM 0 HB THR C 38 8.427 16.677 -15.057 1.00 0.00 H new ATOM 0 HG1 THR C 38 6.615 15.864 -16.266 1.00 0.00 H new ATOM 0 HG21 THR C 38 8.607 14.499 -16.221 1.00 0.00 H new ATOM 0 HG22 THR C 38 9.518 14.484 -14.693 1.00 0.00 H new ATOM 0 HG23 THR C 38 7.934 13.679 -14.792 1.00 0.00 H new ATOM 492 N GLU C 39 7.810 13.516 -12.655 1.00 0.00 N ATOM 493 CA GLU C 39 7.237 12.226 -12.179 1.00 0.00 C ATOM 494 C GLU C 39 8.249 11.518 -11.277 1.00 0.00 C ATOM 495 O GLU C 39 7.894 10.913 -10.285 1.00 0.00 O ATOM 496 CB GLU C 39 6.918 11.336 -13.382 1.00 0.00 C ATOM 497 CG GLU C 39 5.402 11.195 -13.525 1.00 0.00 C ATOM 498 CD GLU C 39 4.944 11.889 -14.810 1.00 0.00 C ATOM 499 OE1 GLU C 39 5.719 11.918 -15.752 1.00 0.00 O ATOM 500 OE2 GLU C 39 3.826 12.376 -14.831 1.00 0.00 O ATOM 0 H GLU C 39 8.790 13.479 -12.935 1.00 0.00 H new ATOM 0 HA GLU C 39 6.324 12.421 -11.617 1.00 0.00 H new ATOM 0 HB2 GLU C 39 7.341 11.768 -14.289 1.00 0.00 H new ATOM 0 HB3 GLU C 39 7.375 10.355 -13.253 1.00 0.00 H new ATOM 0 HG2 GLU C 39 5.125 10.141 -13.550 1.00 0.00 H new ATOM 0 HG3 GLU C 39 4.902 11.636 -12.663 1.00 0.00 H new ATOM 507 N GLY C 40 9.505 11.590 -11.614 1.00 0.00 N ATOM 508 CA GLY C 40 10.541 10.922 -10.778 1.00 0.00 C ATOM 509 C GLY C 40 10.345 11.317 -9.312 1.00 0.00 C ATOM 510 O GLY C 40 10.151 12.473 -8.991 1.00 0.00 O ATOM 0 H GLY C 40 9.860 12.083 -12.433 1.00 0.00 H new ATOM 0 HA2 GLY C 40 10.470 9.840 -10.887 1.00 0.00 H new ATOM 0 HA3 GLY C 40 11.537 11.211 -11.114 1.00 0.00 H new ATOM 514 N ASP C 41 10.394 10.366 -8.421 1.00 0.00 N ATOM 515 CA ASP C 41 10.210 10.686 -6.978 1.00 0.00 C ATOM 516 C ASP C 41 11.474 11.357 -6.434 1.00 0.00 C ATOM 517 O ASP C 41 11.544 11.728 -5.279 1.00 0.00 O ATOM 518 CB ASP C 41 9.946 9.396 -6.201 1.00 0.00 C ATOM 519 CG ASP C 41 8.565 8.852 -6.573 1.00 0.00 C ATOM 520 OD1 ASP C 41 7.644 9.646 -6.673 1.00 0.00 O ATOM 521 OD2 ASP C 41 8.452 7.650 -6.751 1.00 0.00 O ATOM 0 H ASP C 41 10.554 9.380 -8.630 1.00 0.00 H new ATOM 0 HA ASP C 41 9.363 11.363 -6.863 1.00 0.00 H new ATOM 0 HB2 ASP C 41 10.714 8.657 -6.430 1.00 0.00 H new ATOM 0 HB3 ASP C 41 9.997 9.587 -5.129 1.00 0.00 H new ATOM 526 N TRP C 42 12.476 11.517 -7.257 1.00 0.00 N ATOM 527 CA TRP C 42 13.732 12.164 -6.783 1.00 0.00 C ATOM 528 C TRP C 42 14.182 13.213 -7.803 1.00 0.00 C ATOM 529 O TRP C 42 14.603 12.889 -8.896 1.00 0.00 O ATOM 530 CB TRP C 42 14.822 11.102 -6.623 1.00 0.00 C ATOM 531 CG TRP C 42 14.693 10.450 -5.245 1.00 0.00 C ATOM 532 CD1 TRP C 42 14.033 9.307 -4.992 1.00 0.00 C ATOM 533 CD2 TRP C 42 15.199 10.943 -4.117 1.00 0.00 C ATOM 534 NE1 TRP C 42 14.169 9.152 -3.673 1.00 0.00 N ATOM 535 CE2 TRP C 42 14.881 10.125 -3.049 1.00 0.00 C ATOM 536 CE3 TRP C 42 15.945 12.084 -3.914 1.00 0.00 C ATOM 537 CZ2 TRP C 42 15.309 10.456 -1.778 1.00 0.00 C ATOM 538 CZ3 TRP C 42 16.373 12.412 -2.644 1.00 0.00 C ATOM 539 CH2 TRP C 42 16.055 11.598 -1.577 1.00 0.00 C ATOM 0 H TRP C 42 12.478 11.228 -8.235 1.00 0.00 H new ATOM 0 HA TRP C 42 13.554 12.647 -5.823 1.00 0.00 H new ATOM 0 HB2 TRP C 42 14.729 10.348 -7.405 1.00 0.00 H new ATOM 0 HB3 TRP C 42 15.807 11.556 -6.733 1.00 0.00 H new ATOM 0 HD1 TRP C 42 13.515 8.666 -5.690 1.00 0.00 H new ATOM 0 HE1 TRP C 42 13.767 8.360 -3.171 1.00 0.00 H new ATOM 0 HE3 TRP C 42 16.195 12.722 -4.749 1.00 0.00 H new ATOM 0 HZ2 TRP C 42 15.059 9.820 -0.942 1.00 0.00 H new ATOM 0 HZ3 TRP C 42 16.957 13.306 -2.485 1.00 0.00 H new ATOM 0 HH2 TRP C 42 16.391 11.855 -0.583 1.00 0.00 H new ATOM 550 N TRP C 43 14.096 14.468 -7.454 1.00 0.00 N ATOM 551 CA TRP C 43 14.519 15.537 -8.403 1.00 0.00 C ATOM 552 C TRP C 43 16.006 15.840 -8.205 1.00 0.00 C ATOM 553 O TRP C 43 16.610 15.435 -7.232 1.00 0.00 O ATOM 554 CB TRP C 43 13.706 16.806 -8.137 1.00 0.00 C ATOM 555 CG TRP C 43 12.211 16.488 -8.223 1.00 0.00 C ATOM 556 CD1 TRP C 43 11.684 15.413 -8.834 1.00 0.00 C ATOM 557 CD2 TRP C 43 11.242 17.239 -7.707 1.00 0.00 C ATOM 558 NE1 TRP C 43 10.370 15.564 -8.656 1.00 0.00 N ATOM 559 CE2 TRP C 43 10.006 16.676 -7.964 1.00 0.00 C ATOM 560 CE3 TRP C 43 11.326 18.424 -7.003 1.00 0.00 C ATOM 561 CZ2 TRP C 43 8.858 17.298 -7.517 1.00 0.00 C ATOM 562 CZ3 TRP C 43 10.178 19.046 -6.558 1.00 0.00 C ATOM 563 CH2 TRP C 43 8.944 18.483 -6.814 1.00 0.00 C ATOM 0 H TRP C 43 13.751 14.799 -6.553 1.00 0.00 H new ATOM 0 HA TRP C 43 14.349 15.200 -9.425 1.00 0.00 H new ATOM 0 HB2 TRP C 43 13.947 17.204 -7.151 1.00 0.00 H new ATOM 0 HB3 TRP C 43 13.966 17.575 -8.864 1.00 0.00 H new ATOM 0 HD1 TRP C 43 12.201 14.616 -9.347 1.00 0.00 H new ATOM 0 HE1 TRP C 43 9.689 14.894 -9.013 1.00 0.00 H new ATOM 0 HE3 TRP C 43 12.291 18.864 -6.801 1.00 0.00 H new ATOM 0 HZ2 TRP C 43 7.892 16.858 -7.717 1.00 0.00 H new ATOM 0 HZ3 TRP C 43 10.245 19.974 -6.009 1.00 0.00 H new ATOM 0 HH2 TRP C 43 8.046 18.970 -6.464 1.00 0.00 H new ATOM 574 N LEU C 44 16.598 16.554 -9.123 1.00 0.00 N ATOM 575 CA LEU C 44 18.045 16.886 -8.994 1.00 0.00 C ATOM 576 C LEU C 44 18.201 18.404 -8.898 1.00 0.00 C ATOM 577 O LEU C 44 18.012 19.118 -9.859 1.00 0.00 O ATOM 578 CB LEU C 44 18.798 16.370 -10.223 1.00 0.00 C ATOM 579 CG LEU C 44 20.304 16.429 -9.965 1.00 0.00 C ATOM 580 CD1 LEU C 44 20.690 15.364 -8.938 1.00 0.00 C ATOM 581 CD2 LEU C 44 21.052 16.164 -11.272 1.00 0.00 C ATOM 0 H LEU C 44 16.142 16.922 -9.958 1.00 0.00 H new ATOM 0 HA LEU C 44 18.453 16.417 -8.099 1.00 0.00 H new ATOM 0 HB2 LEU C 44 18.497 15.346 -10.443 1.00 0.00 H new ATOM 0 HB3 LEU C 44 18.545 16.971 -11.096 1.00 0.00 H new ATOM 0 HG LEU C 44 20.568 17.415 -9.583 1.00 0.00 H new ATOM 0 HD11 LEU C 44 21.764 15.407 -8.755 1.00 0.00 H new ATOM 0 HD12 LEU C 44 20.155 15.547 -8.006 1.00 0.00 H new ATOM 0 HD13 LEU C 44 20.426 14.378 -9.320 1.00 0.00 H new ATOM 0 HD21 LEU C 44 22.126 16.205 -11.091 1.00 0.00 H new ATOM 0 HD22 LEU C 44 20.785 15.177 -11.650 1.00 0.00 H new ATOM 0 HD23 LEU C 44 20.778 16.920 -12.008 1.00 0.00 H new ATOM 593 N ALA C 45 18.545 18.905 -7.745 1.00 0.00 N ATOM 594 CA ALA C 45 18.709 20.378 -7.593 1.00 0.00 C ATOM 595 C ALA C 45 20.195 20.741 -7.597 1.00 0.00 C ATOM 596 O ALA C 45 21.048 19.922 -7.316 1.00 0.00 O ATOM 597 CB ALA C 45 18.081 20.826 -6.273 1.00 0.00 C ATOM 0 H ALA C 45 18.720 18.359 -6.901 1.00 0.00 H new ATOM 0 HA ALA C 45 18.215 20.880 -8.425 1.00 0.00 H new ATOM 0 HB1 ALA C 45 18.200 21.904 -6.161 1.00 0.00 H new ATOM 0 HB2 ALA C 45 17.020 20.576 -6.272 1.00 0.00 H new ATOM 0 HB3 ALA C 45 18.574 20.318 -5.444 1.00 0.00 H new ATOM 603 N HIS C 46 20.508 21.967 -7.914 1.00 0.00 N ATOM 604 CA HIS C 46 21.934 22.397 -7.941 1.00 0.00 C ATOM 605 C HIS C 46 22.109 23.605 -7.015 1.00 0.00 C ATOM 606 O HIS C 46 21.341 24.546 -7.055 1.00 0.00 O ATOM 607 CB HIS C 46 22.318 22.777 -9.376 1.00 0.00 C ATOM 608 CG HIS C 46 23.596 23.621 -9.368 1.00 0.00 C ATOM 609 ND1 HIS C 46 24.763 23.179 -9.142 1.00 0.00 N ATOM 610 CD2 HIS C 46 23.765 24.976 -9.588 1.00 0.00 C ATOM 611 CE1 HIS C 46 25.623 24.125 -9.200 1.00 0.00 C ATOM 612 NE2 HIS C 46 25.064 25.292 -9.479 1.00 0.00 N ATOM 0 H HIS C 46 19.834 22.693 -8.157 1.00 0.00 H new ATOM 0 HA HIS C 46 22.577 21.585 -7.601 1.00 0.00 H new ATOM 0 HB2 HIS C 46 22.470 21.877 -9.971 1.00 0.00 H new ATOM 0 HB3 HIS C 46 21.506 23.335 -9.843 1.00 0.00 H new ATOM 0 HD1 HIS C 46 24.986 22.204 -8.942 1.00 0.00 H new ATOM 0 HD2 HIS C 46 22.972 25.673 -9.813 1.00 0.00 H new ATOM 0 HE1 HIS C 46 26.682 23.987 -9.040 1.00 0.00 H new ATOM 620 N SER C 47 23.114 23.587 -6.183 1.00 0.00 N ATOM 621 CA SER C 47 23.336 24.734 -5.258 1.00 0.00 C ATOM 622 C SER C 47 24.138 25.822 -5.976 1.00 0.00 C ATOM 623 O SER C 47 24.586 25.642 -7.092 1.00 0.00 O ATOM 624 CB SER C 47 24.113 24.255 -4.030 1.00 0.00 C ATOM 625 OG SER C 47 23.362 23.257 -3.354 1.00 0.00 O ATOM 0 H SER C 47 23.791 22.828 -6.104 1.00 0.00 H new ATOM 0 HA SER C 47 22.374 25.139 -4.945 1.00 0.00 H new ATOM 0 HB2 SER C 47 25.081 23.855 -4.332 1.00 0.00 H new ATOM 0 HB3 SER C 47 24.309 25.093 -3.361 1.00 0.00 H new ATOM 0 HG SER C 47 23.860 22.949 -2.568 1.00 0.00 H new ATOM 631 N LEU C 48 24.320 26.951 -5.347 1.00 0.00 N ATOM 632 CA LEU C 48 25.092 28.049 -5.993 1.00 0.00 C ATOM 633 C LEU C 48 26.376 28.304 -5.203 1.00 0.00 C ATOM 634 O LEU C 48 27.469 28.142 -5.709 1.00 0.00 O ATOM 635 CB LEU C 48 24.243 29.322 -6.014 1.00 0.00 C ATOM 636 CG LEU C 48 22.865 29.002 -6.594 1.00 0.00 C ATOM 637 CD1 LEU C 48 21.989 30.255 -6.546 1.00 0.00 C ATOM 638 CD2 LEU C 48 23.018 28.539 -8.045 1.00 0.00 C ATOM 0 H LEU C 48 23.967 27.160 -4.413 1.00 0.00 H new ATOM 0 HA LEU C 48 25.346 27.764 -7.014 1.00 0.00 H new ATOM 0 HB2 LEU C 48 24.141 29.722 -5.005 1.00 0.00 H new ATOM 0 HB3 LEU C 48 24.733 30.090 -6.613 1.00 0.00 H new ATOM 0 HG LEU C 48 22.398 28.210 -6.008 1.00 0.00 H new ATOM 0 HD11 LEU C 48 21.006 30.028 -6.959 1.00 0.00 H new ATOM 0 HD12 LEU C 48 21.881 30.584 -5.512 1.00 0.00 H new ATOM 0 HD13 LEU C 48 22.455 31.047 -7.132 1.00 0.00 H new ATOM 0 HD21 LEU C 48 22.036 28.311 -8.459 1.00 0.00 H new ATOM 0 HD22 LEU C 48 23.485 29.330 -8.632 1.00 0.00 H new ATOM 0 HD23 LEU C 48 23.642 27.646 -8.078 1.00 0.00 H new ATOM 650 N THR C 49 26.256 28.704 -3.966 1.00 0.00 N ATOM 651 CA THR C 49 27.474 28.967 -3.150 1.00 0.00 C ATOM 652 C THR C 49 28.478 27.832 -3.361 1.00 0.00 C ATOM 653 O THR C 49 29.536 28.022 -3.928 1.00 0.00 O ATOM 654 CB THR C 49 27.093 29.045 -1.670 1.00 0.00 C ATOM 655 OG1 THR C 49 26.044 29.988 -1.502 1.00 0.00 O ATOM 656 CG2 THR C 49 28.309 29.480 -0.850 1.00 0.00 C ATOM 0 H THR C 49 25.369 28.860 -3.487 1.00 0.00 H new ATOM 0 HA THR C 49 27.921 29.912 -3.457 1.00 0.00 H new ATOM 0 HB THR C 49 26.759 28.065 -1.328 1.00 0.00 H new ATOM 0 HG1 THR C 49 25.798 30.038 -0.555 1.00 0.00 H new ATOM 0 HG21 THR C 49 28.036 29.535 0.204 1.00 0.00 H new ATOM 0 HG22 THR C 49 29.113 28.756 -0.979 1.00 0.00 H new ATOM 0 HG23 THR C 49 28.645 30.460 -1.190 1.00 0.00 H new ATOM 664 N THR C 50 28.156 26.652 -2.907 1.00 0.00 N ATOM 665 CA THR C 50 29.093 25.508 -3.082 1.00 0.00 C ATOM 666 C THR C 50 28.845 24.853 -4.443 1.00 0.00 C ATOM 667 O THR C 50 29.604 24.013 -4.886 1.00 0.00 O ATOM 668 CB THR C 50 28.860 24.482 -1.971 1.00 0.00 C ATOM 669 OG1 THR C 50 28.803 25.149 -0.718 1.00 0.00 O ATOM 670 CG2 THR C 50 30.006 23.469 -1.961 1.00 0.00 C ATOM 0 H THR C 50 27.286 26.431 -2.423 1.00 0.00 H new ATOM 0 HA THR C 50 30.121 25.868 -3.032 1.00 0.00 H new ATOM 0 HB THR C 50 27.920 23.960 -2.148 1.00 0.00 H new ATOM 0 HG1 THR C 50 28.652 24.494 -0.005 1.00 0.00 H new ATOM 0 HG21 THR C 50 29.839 22.739 -1.169 1.00 0.00 H new ATOM 0 HG22 THR C 50 30.048 22.958 -2.923 1.00 0.00 H new ATOM 0 HG23 THR C 50 30.948 23.987 -1.784 1.00 0.00 H new ATOM 678 N GLY C 51 27.789 25.230 -5.110 1.00 0.00 N ATOM 679 CA GLY C 51 27.494 24.629 -6.442 1.00 0.00 C ATOM 680 C GLY C 51 27.270 23.123 -6.282 1.00 0.00 C ATOM 681 O GLY C 51 26.557 22.682 -5.403 1.00 0.00 O ATOM 0 H GLY C 51 27.118 25.928 -4.791 1.00 0.00 H new ATOM 0 HA2 GLY C 51 26.609 25.095 -6.876 1.00 0.00 H new ATOM 0 HA3 GLY C 51 28.321 24.814 -7.128 1.00 0.00 H new ATOM 685 N GLN C 52 27.872 22.333 -7.127 1.00 0.00 N ATOM 686 CA GLN C 52 27.694 20.857 -7.025 1.00 0.00 C ATOM 687 C GLN C 52 26.218 20.506 -7.220 1.00 0.00 C ATOM 688 O GLN C 52 25.346 21.338 -7.069 1.00 0.00 O ATOM 689 CB GLN C 52 28.157 20.381 -5.646 1.00 0.00 C ATOM 690 CG GLN C 52 29.686 20.366 -5.599 1.00 0.00 C ATOM 691 CD GLN C 52 30.204 19.097 -6.279 1.00 0.00 C ATOM 692 OE1 GLN C 52 29.889 17.999 -5.864 1.00 0.00 O ATOM 693 NE2 GLN C 52 30.992 19.201 -7.314 1.00 0.00 N ATOM 0 H GLN C 52 28.480 22.646 -7.884 1.00 0.00 H new ATOM 0 HA GLN C 52 28.287 20.365 -7.796 1.00 0.00 H new ATOM 0 HB2 GLN C 52 27.765 21.040 -4.871 1.00 0.00 H new ATOM 0 HB3 GLN C 52 27.766 19.384 -5.444 1.00 0.00 H new ATOM 0 HG2 GLN C 52 30.085 21.248 -6.100 1.00 0.00 H new ATOM 0 HG3 GLN C 52 30.029 20.404 -4.565 1.00 0.00 H new ATOM 0 HE21 GLN C 52 31.257 20.122 -7.663 1.00 0.00 H new ATOM 0 HE22 GLN C 52 31.343 18.361 -7.774 1.00 0.00 H new ATOM 702 N THR C 53 25.930 19.279 -7.558 1.00 0.00 N ATOM 703 CA THR C 53 24.511 18.873 -7.765 1.00 0.00 C ATOM 704 C THR C 53 24.086 17.922 -6.642 1.00 0.00 C ATOM 705 O THR C 53 24.907 17.411 -5.905 1.00 0.00 O ATOM 706 CB THR C 53 24.381 18.170 -9.120 1.00 0.00 C ATOM 707 OG1 THR C 53 24.418 19.139 -10.156 1.00 0.00 O ATOM 708 CG2 THR C 53 23.058 17.406 -9.183 1.00 0.00 C ATOM 0 H THR C 53 26.617 18.539 -7.700 1.00 0.00 H new ATOM 0 HA THR C 53 23.868 19.753 -7.751 1.00 0.00 H new ATOM 0 HB THR C 53 25.206 17.468 -9.244 1.00 0.00 H new ATOM 0 HG1 THR C 53 24.337 18.693 -11.025 1.00 0.00 H new ATOM 0 HG21 THR C 53 22.971 16.908 -10.149 1.00 0.00 H new ATOM 0 HG22 THR C 53 23.029 16.662 -8.387 1.00 0.00 H new ATOM 0 HG23 THR C 53 22.229 18.103 -9.058 1.00 0.00 H new ATOM 716 N GLY C 54 22.810 17.675 -6.505 1.00 0.00 N ATOM 717 CA GLY C 54 22.348 16.755 -5.428 1.00 0.00 C ATOM 718 C GLY C 54 20.897 16.335 -5.680 1.00 0.00 C ATOM 719 O GLY C 54 20.013 17.159 -5.813 1.00 0.00 O ATOM 0 H GLY C 54 22.072 18.069 -7.089 1.00 0.00 H new ATOM 0 HA2 GLY C 54 22.989 15.874 -5.392 1.00 0.00 H new ATOM 0 HA3 GLY C 54 22.429 17.247 -4.459 1.00 0.00 H new ATOM 723 N TYR C 55 20.648 15.054 -5.748 1.00 0.00 N ATOM 724 CA TYR C 55 19.262 14.567 -5.989 1.00 0.00 C ATOM 725 C TYR C 55 18.407 14.855 -4.755 1.00 0.00 C ATOM 726 O TYR C 55 18.394 14.094 -3.808 1.00 0.00 O ATOM 727 CB TYR C 55 19.292 13.057 -6.230 1.00 0.00 C ATOM 728 CG TYR C 55 19.735 12.762 -7.664 1.00 0.00 C ATOM 729 CD1 TYR C 55 18.821 12.781 -8.697 1.00 0.00 C ATOM 730 CD2 TYR C 55 21.051 12.452 -7.940 1.00 0.00 C ATOM 731 CE1 TYR C 55 19.216 12.491 -9.987 1.00 0.00 C ATOM 732 CE2 TYR C 55 21.446 12.161 -9.229 1.00 0.00 C ATOM 733 CZ TYR C 55 20.531 12.179 -10.263 1.00 0.00 C ATOM 734 OH TYR C 55 20.926 11.890 -11.553 1.00 0.00 O ATOM 0 H TYR C 55 21.351 14.322 -5.646 1.00 0.00 H new ATOM 0 HA TYR C 55 18.843 15.073 -6.859 1.00 0.00 H new ATOM 0 HB2 TYR C 55 19.975 12.582 -5.525 1.00 0.00 H new ATOM 0 HB3 TYR C 55 18.304 12.633 -6.052 1.00 0.00 H new ATOM 0 HD1 TYR C 55 17.788 13.025 -8.495 1.00 0.00 H new ATOM 0 HD2 TYR C 55 21.777 12.437 -7.141 1.00 0.00 H new ATOM 0 HE1 TYR C 55 18.490 12.508 -10.787 1.00 0.00 H new ATOM 0 HE2 TYR C 55 22.479 11.917 -9.431 1.00 0.00 H new ATOM 0 HH TYR C 55 21.886 11.694 -11.565 1.00 0.00 H new ATOM 744 N ILE C 56 17.691 15.944 -4.752 1.00 0.00 N ATOM 745 CA ILE C 56 16.843 16.266 -3.571 1.00 0.00 C ATOM 746 C ILE C 56 15.520 15.499 -3.681 1.00 0.00 C ATOM 747 O ILE C 56 14.969 15.377 -4.757 1.00 0.00 O ATOM 748 CB ILE C 56 16.567 17.770 -3.535 1.00 0.00 C ATOM 749 CG1 ILE C 56 15.852 18.190 -4.820 1.00 0.00 C ATOM 750 CG2 ILE C 56 17.891 18.527 -3.418 1.00 0.00 C ATOM 751 CD1 ILE C 56 15.423 19.654 -4.708 1.00 0.00 C ATOM 0 H ILE C 56 17.656 16.623 -5.513 1.00 0.00 H new ATOM 0 HA ILE C 56 17.359 15.976 -2.656 1.00 0.00 H new ATOM 0 HB ILE C 56 15.936 18.003 -2.677 1.00 0.00 H new ATOM 0 HG12 ILE C 56 16.513 18.058 -5.677 1.00 0.00 H new ATOM 0 HG13 ILE C 56 14.981 17.556 -4.988 1.00 0.00 H new ATOM 0 HG21 ILE C 56 17.696 19.599 -3.392 1.00 0.00 H new ATOM 0 HG22 ILE C 56 18.401 18.229 -2.502 1.00 0.00 H new ATOM 0 HG23 ILE C 56 18.521 18.293 -4.276 1.00 0.00 H new ATOM 0 HD11 ILE C 56 14.913 19.955 -5.623 1.00 0.00 H new ATOM 0 HD12 ILE C 56 14.747 19.771 -3.861 1.00 0.00 H new ATOM 0 HD13 ILE C 56 16.303 20.281 -4.560 1.00 0.00 H new ATOM 763 N PRO C 57 15.047 15.005 -2.564 1.00 0.00 N ATOM 764 CA PRO C 57 13.785 14.245 -2.519 1.00 0.00 C ATOM 765 C PRO C 57 12.621 15.126 -2.986 1.00 0.00 C ATOM 766 O PRO C 57 12.628 16.328 -2.806 1.00 0.00 O ATOM 767 CB PRO C 57 13.615 13.849 -1.046 1.00 0.00 C ATOM 768 CG PRO C 57 14.817 14.436 -0.259 1.00 0.00 C ATOM 769 CD PRO C 57 15.723 15.167 -1.263 1.00 0.00 C ATOM 0 HA PRO C 57 13.800 13.373 -3.173 1.00 0.00 H new ATOM 0 HB2 PRO C 57 12.675 14.235 -0.652 1.00 0.00 H new ATOM 0 HB3 PRO C 57 13.583 12.764 -0.943 1.00 0.00 H new ATOM 0 HG2 PRO C 57 14.470 15.123 0.513 1.00 0.00 H new ATOM 0 HG3 PRO C 57 15.368 13.642 0.245 1.00 0.00 H new ATOM 0 HD2 PRO C 57 15.834 16.220 -1.003 1.00 0.00 H new ATOM 0 HD3 PRO C 57 16.724 14.736 -1.280 1.00 0.00 H new ATOM 777 N SER C 58 11.622 14.536 -3.583 1.00 0.00 N ATOM 778 CA SER C 58 10.459 15.331 -4.063 1.00 0.00 C ATOM 779 C SER C 58 9.434 15.488 -2.934 1.00 0.00 C ATOM 780 O SER C 58 8.241 15.502 -3.164 1.00 0.00 O ATOM 781 CB SER C 58 9.813 14.606 -5.244 1.00 0.00 C ATOM 782 OG SER C 58 8.661 13.903 -4.802 1.00 0.00 O ATOM 0 H SER C 58 11.562 13.533 -3.759 1.00 0.00 H new ATOM 0 HA SER C 58 10.797 16.319 -4.376 1.00 0.00 H new ATOM 0 HB2 SER C 58 9.539 15.323 -6.017 1.00 0.00 H new ATOM 0 HB3 SER C 58 10.525 13.912 -5.691 1.00 0.00 H new ATOM 0 HG SER C 58 7.983 14.543 -4.500 1.00 0.00 H new ATOM 788 N ASN C 59 9.887 15.611 -1.717 1.00 0.00 N ATOM 789 CA ASN C 59 8.935 15.767 -0.582 1.00 0.00 C ATOM 790 C ASN C 59 9.579 16.624 0.508 1.00 0.00 C ATOM 791 O ASN C 59 9.128 16.654 1.636 1.00 0.00 O ATOM 792 CB ASN C 59 8.591 14.389 -0.012 1.00 0.00 C ATOM 793 CG ASN C 59 7.082 14.160 -0.111 1.00 0.00 C ATOM 794 OD1 ASN C 59 6.641 13.159 -0.640 1.00 0.00 O ATOM 795 ND2 ASN C 59 6.266 15.053 0.380 1.00 0.00 N ATOM 0 H ASN C 59 10.874 15.610 -1.460 1.00 0.00 H new ATOM 0 HA ASN C 59 8.024 16.251 -0.934 1.00 0.00 H new ATOM 0 HB2 ASN C 59 9.124 13.613 -0.561 1.00 0.00 H new ATOM 0 HB3 ASN C 59 8.913 14.323 1.027 1.00 0.00 H new ATOM 0 HD21 ASN C 59 5.258 14.911 0.320 1.00 0.00 H new ATOM 0 HD22 ASN C 59 6.637 15.893 0.824 1.00 0.00 H new ATOM 802 N TYR C 60 10.634 17.320 0.183 1.00 0.00 N ATOM 803 CA TYR C 60 11.307 18.174 1.201 1.00 0.00 C ATOM 804 C TYR C 60 11.492 19.587 0.641 1.00 0.00 C ATOM 805 O TYR C 60 12.163 20.414 1.227 1.00 0.00 O ATOM 806 CB TYR C 60 12.673 17.579 1.544 1.00 0.00 C ATOM 807 CG TYR C 60 12.495 16.429 2.539 1.00 0.00 C ATOM 808 CD1 TYR C 60 11.775 15.306 2.188 1.00 0.00 C ATOM 809 CD2 TYR C 60 13.054 16.498 3.798 1.00 0.00 C ATOM 810 CE1 TYR C 60 11.619 14.266 3.082 1.00 0.00 C ATOM 811 CE2 TYR C 60 12.899 15.459 4.692 1.00 0.00 C ATOM 812 CZ TYR C 60 12.180 14.335 4.342 1.00 0.00 C ATOM 813 OH TYR C 60 12.024 13.295 5.236 1.00 0.00 O ATOM 0 H TYR C 60 11.059 17.334 -0.744 1.00 0.00 H new ATOM 0 HA TYR C 60 10.693 18.217 2.101 1.00 0.00 H new ATOM 0 HB2 TYR C 60 13.162 17.218 0.639 1.00 0.00 H new ATOM 0 HB3 TYR C 60 13.319 18.346 1.971 1.00 0.00 H new ATOM 0 HD1 TYR C 60 11.330 15.240 1.206 1.00 0.00 H new ATOM 0 HD2 TYR C 60 13.618 17.373 4.086 1.00 0.00 H new ATOM 0 HE1 TYR C 60 11.054 13.392 2.794 1.00 0.00 H new ATOM 0 HE2 TYR C 60 13.344 15.526 5.674 1.00 0.00 H new ATOM 0 HH TYR C 60 11.399 12.637 4.866 1.00 0.00 H new ATOM 823 N VAL C 61 10.903 19.871 -0.489 1.00 0.00 N ATOM 824 CA VAL C 61 11.045 21.229 -1.086 1.00 0.00 C ATOM 825 C VAL C 61 9.721 21.643 -1.731 1.00 0.00 C ATOM 826 O VAL C 61 8.825 20.840 -1.909 1.00 0.00 O ATOM 827 CB VAL C 61 12.159 21.206 -2.141 1.00 0.00 C ATOM 828 CG1 VAL C 61 12.083 19.899 -2.932 1.00 0.00 C ATOM 829 CG2 VAL C 61 12.014 22.391 -3.100 1.00 0.00 C ATOM 0 H VAL C 61 10.329 19.220 -1.025 1.00 0.00 H new ATOM 0 HA VAL C 61 11.303 21.948 -0.309 1.00 0.00 H new ATOM 0 HB VAL C 61 13.122 21.279 -1.636 1.00 0.00 H new ATOM 0 HG11 VAL C 61 12.874 19.881 -3.682 1.00 0.00 H new ATOM 0 HG12 VAL C 61 12.207 19.055 -2.253 1.00 0.00 H new ATOM 0 HG13 VAL C 61 11.114 19.828 -3.425 1.00 0.00 H new ATOM 0 HG21 VAL C 61 12.812 22.359 -3.841 1.00 0.00 H new ATOM 0 HG22 VAL C 61 11.049 22.336 -3.603 1.00 0.00 H new ATOM 0 HG23 VAL C 61 12.078 23.323 -2.539 1.00 0.00 H new ATOM 839 N ALA C 62 9.593 22.890 -2.083 1.00 0.00 N ATOM 840 CA ALA C 62 8.331 23.365 -2.717 1.00 0.00 C ATOM 841 C ALA C 62 8.607 24.651 -3.503 1.00 0.00 C ATOM 842 O ALA C 62 9.494 25.405 -3.162 1.00 0.00 O ATOM 843 CB ALA C 62 7.289 23.645 -1.634 1.00 0.00 C ATOM 0 H ALA C 62 10.310 23.605 -1.959 1.00 0.00 H new ATOM 0 HA ALA C 62 7.954 22.598 -3.394 1.00 0.00 H new ATOM 0 HB1 ALA C 62 6.366 23.992 -2.098 1.00 0.00 H new ATOM 0 HB2 ALA C 62 7.092 22.731 -1.074 1.00 0.00 H new ATOM 0 HB3 ALA C 62 7.665 24.412 -0.957 1.00 0.00 H new ATOM 849 N PRO C 63 7.829 24.861 -4.537 1.00 0.00 N ATOM 850 CA PRO C 63 7.968 26.052 -5.393 1.00 0.00 C ATOM 851 C PRO C 63 7.740 27.324 -4.572 1.00 0.00 C ATOM 852 O PRO C 63 6.619 27.723 -4.326 1.00 0.00 O ATOM 853 CB PRO C 63 6.878 25.898 -6.463 1.00 0.00 C ATOM 854 CG PRO C 63 6.121 24.574 -6.176 1.00 0.00 C ATOM 855 CD PRO C 63 6.755 23.932 -4.932 1.00 0.00 C ATOM 0 HA PRO C 63 8.963 26.133 -5.831 1.00 0.00 H new ATOM 0 HB2 PRO C 63 6.192 26.745 -6.435 1.00 0.00 H new ATOM 0 HB3 PRO C 63 7.320 25.878 -7.459 1.00 0.00 H new ATOM 0 HG2 PRO C 63 5.062 24.768 -6.008 1.00 0.00 H new ATOM 0 HG3 PRO C 63 6.190 23.901 -7.031 1.00 0.00 H new ATOM 0 HD2 PRO C 63 6.024 23.810 -4.133 1.00 0.00 H new ATOM 0 HD3 PRO C 63 7.151 22.941 -5.156 1.00 0.00 H new ATOM 863 N SER C 64 8.795 27.963 -4.144 1.00 0.00 N ATOM 864 CA SER C 64 8.638 29.207 -3.340 1.00 0.00 C ATOM 865 C SER C 64 10.019 29.768 -2.994 1.00 0.00 C ATOM 866 O SER C 64 10.894 29.697 -3.840 1.00 0.00 O ATOM 867 CB SER C 64 7.880 28.888 -2.050 1.00 0.00 C ATOM 868 OG SER C 64 8.702 28.103 -1.200 1.00 0.00 O ATOM 869 OXT SER C 64 10.177 30.258 -1.888 1.00 0.00 O ATOM 0 H SER C 64 9.759 27.677 -4.317 1.00 0.00 H new ATOM 0 HA SER C 64 8.080 29.944 -3.917 1.00 0.00 H new ATOM 0 HB2 SER C 64 7.594 29.811 -1.546 1.00 0.00 H new ATOM 0 HB3 SER C 64 6.959 28.352 -2.280 1.00 0.00 H new ATOM 0 HG SER C 64 8.217 27.900 -0.373 1.00 0.00 H new ATOM 876 N ALA A 71 3.813 14.919 13.586 1.00 0.00 N ATOM 877 CA ALA A 71 4.079 15.621 12.299 1.00 0.00 C ATOM 878 C ALA A 71 5.532 15.385 11.880 1.00 0.00 C ATOM 879 O ALA A 71 6.278 16.313 11.641 1.00 0.00 O ATOM 880 CB ALA A 71 3.837 17.122 12.477 1.00 0.00 C ATOM 0 HA ALA A 71 3.411 15.234 11.529 1.00 0.00 H new ATOM 0 HB1 ALA A 71 4.031 17.636 11.536 1.00 0.00 H new ATOM 0 HB2 ALA A 71 2.802 17.291 12.776 1.00 0.00 H new ATOM 0 HB3 ALA A 71 4.505 17.509 13.247 1.00 0.00 H new ATOM 888 N PHE A 72 5.938 14.149 11.791 1.00 0.00 N ATOM 889 CA PHE A 72 7.342 13.852 11.388 1.00 0.00 C ATOM 890 C PHE A 72 7.491 14.044 9.878 1.00 0.00 C ATOM 891 O PHE A 72 6.628 13.675 9.107 1.00 0.00 O ATOM 892 CB PHE A 72 7.681 12.405 11.754 1.00 0.00 C ATOM 893 CG PHE A 72 9.198 12.215 11.728 1.00 0.00 C ATOM 894 CD1 PHE A 72 9.980 12.670 12.774 1.00 0.00 C ATOM 895 CD2 PHE A 72 9.807 11.584 10.658 1.00 0.00 C ATOM 896 CE1 PHE A 72 11.348 12.497 12.751 1.00 0.00 C ATOM 897 CE2 PHE A 72 11.176 11.411 10.637 1.00 0.00 C ATOM 898 CZ PHE A 72 11.947 11.868 11.682 1.00 0.00 C ATOM 0 H PHE A 72 5.358 13.331 11.980 1.00 0.00 H new ATOM 0 HA PHE A 72 8.021 14.528 11.908 1.00 0.00 H new ATOM 0 HB2 PHE A 72 7.291 12.168 12.744 1.00 0.00 H new ATOM 0 HB3 PHE A 72 7.206 11.720 11.052 1.00 0.00 H new ATOM 0 HD1 PHE A 72 9.516 13.164 13.615 1.00 0.00 H new ATOM 0 HD2 PHE A 72 9.208 11.225 9.834 1.00 0.00 H new ATOM 0 HE1 PHE A 72 11.951 12.855 13.573 1.00 0.00 H new ATOM 0 HE2 PHE A 72 11.644 10.916 9.799 1.00 0.00 H new ATOM 0 HZ PHE A 72 13.018 11.734 11.664 1.00 0.00 H new ATOM 908 N ALA A 73 8.581 14.619 9.447 1.00 0.00 N ATOM 909 CA ALA A 73 8.780 14.832 7.985 1.00 0.00 C ATOM 910 C ALA A 73 8.396 13.553 7.233 1.00 0.00 C ATOM 911 O ALA A 73 8.568 12.463 7.742 1.00 0.00 O ATOM 912 CB ALA A 73 10.249 15.163 7.713 1.00 0.00 C ATOM 0 H ALA A 73 9.340 14.950 10.042 1.00 0.00 H new ATOM 0 HA ALA A 73 8.155 15.658 7.646 1.00 0.00 H new ATOM 0 HB1 ALA A 73 10.395 15.319 6.644 1.00 0.00 H new ATOM 0 HB2 ALA A 73 10.524 16.069 8.253 1.00 0.00 H new ATOM 0 HB3 ALA A 73 10.876 14.337 8.048 1.00 0.00 H new ATOM 918 N PRO A 74 7.885 13.726 6.040 1.00 0.00 N ATOM 919 CA PRO A 74 7.467 12.593 5.197 1.00 0.00 C ATOM 920 C PRO A 74 8.670 11.689 4.897 1.00 0.00 C ATOM 921 O PRO A 74 9.758 12.174 4.656 1.00 0.00 O ATOM 922 CB PRO A 74 6.939 13.236 3.907 1.00 0.00 C ATOM 923 CG PRO A 74 7.068 14.775 4.061 1.00 0.00 C ATOM 924 CD PRO A 74 7.684 15.058 5.440 1.00 0.00 C ATOM 0 HA PRO A 74 6.714 11.970 5.679 1.00 0.00 H new ATOM 0 HB2 PRO A 74 7.509 12.889 3.045 1.00 0.00 H new ATOM 0 HB3 PRO A 74 5.900 12.954 3.737 1.00 0.00 H new ATOM 0 HG2 PRO A 74 7.695 15.187 3.270 1.00 0.00 H new ATOM 0 HG3 PRO A 74 6.091 15.251 3.974 1.00 0.00 H new ATOM 0 HD2 PRO A 74 8.627 15.598 5.350 1.00 0.00 H new ATOM 0 HD3 PRO A 74 7.022 15.672 6.051 1.00 0.00 H new ATOM 932 N PRO A 75 8.440 10.398 4.921 1.00 0.00 N ATOM 933 CA PRO A 75 9.500 9.411 4.651 1.00 0.00 C ATOM 934 C PRO A 75 10.034 9.591 3.228 1.00 0.00 C ATOM 935 O PRO A 75 9.307 9.953 2.324 1.00 0.00 O ATOM 936 CB PRO A 75 8.815 8.046 4.802 1.00 0.00 C ATOM 937 CG PRO A 75 7.321 8.303 5.129 1.00 0.00 C ATOM 938 CD PRO A 75 7.115 9.823 5.213 1.00 0.00 C ATOM 0 HA PRO A 75 10.350 9.517 5.325 1.00 0.00 H new ATOM 0 HB2 PRO A 75 8.912 7.466 3.884 1.00 0.00 H new ATOM 0 HB3 PRO A 75 9.286 7.467 5.596 1.00 0.00 H new ATOM 0 HG2 PRO A 75 6.681 7.873 4.358 1.00 0.00 H new ATOM 0 HG3 PRO A 75 7.049 7.828 6.071 1.00 0.00 H new ATOM 0 HD2 PRO A 75 6.369 10.162 4.494 1.00 0.00 H new ATOM 0 HD3 PRO A 75 6.763 10.121 6.201 1.00 0.00 H new ATOM 946 N LEU A 76 11.298 9.343 3.020 1.00 0.00 N ATOM 947 CA LEU A 76 11.870 9.501 1.655 1.00 0.00 C ATOM 948 C LEU A 76 11.450 8.310 0.785 1.00 0.00 C ATOM 949 O LEU A 76 11.410 7.190 1.256 1.00 0.00 O ATOM 950 CB LEU A 76 13.395 9.556 1.746 1.00 0.00 C ATOM 951 CG LEU A 76 13.816 10.821 2.497 1.00 0.00 C ATOM 952 CD1 LEU A 76 15.254 10.666 2.994 1.00 0.00 C ATOM 953 CD2 LEU A 76 13.727 12.026 1.558 1.00 0.00 C ATOM 0 H LEU A 76 11.958 9.038 3.736 1.00 0.00 H new ATOM 0 HA LEU A 76 11.500 10.424 1.209 1.00 0.00 H new ATOM 0 HB2 LEU A 76 13.771 8.672 2.261 1.00 0.00 H new ATOM 0 HB3 LEU A 76 13.830 9.552 0.747 1.00 0.00 H new ATOM 0 HG LEU A 76 13.153 10.975 3.348 1.00 0.00 H new ATOM 0 HD11 LEU A 76 15.553 11.567 3.529 1.00 0.00 H new ATOM 0 HD12 LEU A 76 15.317 9.809 3.664 1.00 0.00 H new ATOM 0 HD13 LEU A 76 15.918 10.511 2.144 1.00 0.00 H new ATOM 0 HD21 LEU A 76 14.027 12.927 2.093 1.00 0.00 H new ATOM 0 HD22 LEU A 76 14.389 11.873 0.706 1.00 0.00 H new ATOM 0 HD23 LEU A 76 12.702 12.138 1.206 1.00 0.00 H new ATOM 965 N PRO A 77 11.149 8.585 -0.461 1.00 0.00 N ATOM 966 CA PRO A 77 10.728 7.542 -1.412 1.00 0.00 C ATOM 967 C PRO A 77 11.855 6.524 -1.612 1.00 0.00 C ATOM 968 O PRO A 77 12.862 6.559 -0.933 1.00 0.00 O ATOM 969 CB PRO A 77 10.443 8.293 -2.720 1.00 0.00 C ATOM 970 CG PRO A 77 10.750 9.794 -2.478 1.00 0.00 C ATOM 971 CD PRO A 77 11.201 9.949 -1.016 1.00 0.00 C ATOM 0 HA PRO A 77 9.858 6.987 -1.061 1.00 0.00 H new ATOM 0 HB2 PRO A 77 11.061 7.902 -3.528 1.00 0.00 H new ATOM 0 HB3 PRO A 77 9.404 8.159 -3.020 1.00 0.00 H new ATOM 0 HG2 PRO A 77 11.529 10.139 -3.157 1.00 0.00 H new ATOM 0 HG3 PRO A 77 9.866 10.401 -2.672 1.00 0.00 H new ATOM 0 HD2 PRO A 77 12.207 10.363 -0.954 1.00 0.00 H new ATOM 0 HD3 PRO A 77 10.544 10.624 -0.468 1.00 0.00 H new ATOM 979 N ARG A 78 11.694 5.619 -2.539 1.00 0.00 N ATOM 980 CA ARG A 78 12.756 4.604 -2.779 1.00 0.00 C ATOM 981 C ARG A 78 13.474 4.919 -4.092 1.00 0.00 C ATOM 982 O ARG A 78 12.877 5.390 -5.040 1.00 0.00 O ATOM 983 CB ARG A 78 12.126 3.212 -2.862 1.00 0.00 C ATOM 984 CG ARG A 78 11.260 3.117 -4.120 1.00 0.00 C ATOM 985 CD ARG A 78 10.326 1.910 -4.003 1.00 0.00 C ATOM 986 NE ARG A 78 10.250 1.210 -5.317 1.00 0.00 N ATOM 987 CZ ARG A 78 11.221 0.423 -5.699 1.00 0.00 C ATOM 988 NH1 ARG A 78 12.270 0.254 -4.937 1.00 0.00 N ATOM 989 NH2 ARG A 78 11.146 -0.192 -6.847 1.00 0.00 N ATOM 0 H ARG A 78 10.873 5.540 -3.139 1.00 0.00 H new ATOM 0 HA ARG A 78 13.472 4.628 -1.958 1.00 0.00 H new ATOM 0 HB2 ARG A 78 12.905 2.450 -2.885 1.00 0.00 H new ATOM 0 HB3 ARG A 78 11.521 3.022 -1.976 1.00 0.00 H new ATOM 0 HG2 ARG A 78 10.678 4.030 -4.244 1.00 0.00 H new ATOM 0 HG3 ARG A 78 11.891 3.018 -5.003 1.00 0.00 H new ATOM 0 HD2 ARG A 78 10.691 1.227 -3.236 1.00 0.00 H new ATOM 0 HD3 ARG A 78 9.332 2.234 -3.694 1.00 0.00 H new ATOM 0 HE ARG A 78 9.438 1.346 -5.919 1.00 0.00 H new ATOM 0 HH11 ARG A 78 12.333 0.737 -4.041 1.00 0.00 H new ATOM 0 HH12 ARG A 78 13.026 -0.361 -5.239 1.00 0.00 H new ATOM 0 HH21 ARG A 78 10.330 -0.058 -7.445 1.00 0.00 H new ATOM 0 HH22 ARG A 78 11.903 -0.807 -7.147 1.00 0.00 H new ATOM 1003 N ARG A 79 14.753 4.666 -4.155 1.00 0.00 N ATOM 1004 CA ARG A 79 15.508 4.953 -5.407 1.00 0.00 C ATOM 1005 C ARG A 79 14.890 4.170 -6.568 1.00 0.00 C ATOM 1006 O ARG A 79 15.491 3.195 -6.986 1.00 0.00 O ATOM 1007 CB ARG A 79 16.968 4.530 -5.227 1.00 0.00 C ATOM 1008 CG ARG A 79 17.658 5.482 -4.248 1.00 0.00 C ATOM 1009 CD ARG A 79 19.058 4.954 -3.927 1.00 0.00 C ATOM 1010 NE ARG A 79 19.572 5.625 -2.700 1.00 0.00 N ATOM 1011 CZ ARG A 79 20.044 6.842 -2.765 1.00 0.00 C ATOM 1012 NH1 ARG A 79 20.067 7.478 -3.906 1.00 0.00 N ATOM 1013 NH2 ARG A 79 20.493 7.423 -1.687 1.00 0.00 N ATOM 1014 OXT ARG A 79 13.825 4.561 -7.018 1.00 0.00 O ATOM 0 H ARG A 79 15.307 4.273 -3.394 1.00 0.00 H new ATOM 0 HA ARG A 79 15.461 6.020 -5.624 1.00 0.00 H new ATOM 0 HB2 ARG A 79 17.018 3.507 -4.853 1.00 0.00 H new ATOM 0 HB3 ARG A 79 17.483 4.543 -6.188 1.00 0.00 H new ATOM 0 HG2 ARG A 79 17.724 6.481 -4.680 1.00 0.00 H new ATOM 0 HG3 ARG A 79 17.071 5.569 -3.333 1.00 0.00 H new ATOM 0 HD2 ARG A 79 19.026 3.875 -3.778 1.00 0.00 H new ATOM 0 HD3 ARG A 79 19.730 5.140 -4.765 1.00 0.00 H new ATOM 0 HE ARG A 79 19.555 5.133 -1.807 1.00 0.00 H new ATOM 0 HH11 ARG A 79 19.716 7.025 -4.750 1.00 0.00 H new ATOM 0 HH12 ARG A 79 20.436 8.428 -3.953 1.00 0.00 H new ATOM 0 HH21 ARG A 79 20.475 6.928 -0.796 1.00 0.00 H new ATOM 0 HH22 ARG A 79 20.862 8.373 -1.735 1.00 0.00 H new