USER MOD reduce.3.24.130724 H: found=0, std=0, add=498, rem=0, adj=17 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 73:sc= -0.388 USER MOD Set 1.2: C 25 SER OG : rot 180:sc= 0.341 USER MOD Single : C 9 THR OG1 : rot 5:sc= 0.784 USER MOD Single : C 14 TYR OH : rot 180:sc= 0 USER MOD Single : C 16 TYR OH : rot 79:sc= 0.743 USER MOD Single : C 20 THR OG1 : rot 117:sc= 1.09 USER MOD Single : C 22 THR OG1 : rot 131:sc= -0.86! 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= -0.239 K(o=-0.24,f=-1.4!) USER MOD Single : C 36 ASN : amide:sc= 0.225 K(o=0.22,f=-3.6!) USER MOD Single : C 37 ASN : amide:sc= -0.74 K(o=-0.74,f=-3.1!) USER MOD Single : C 38 THR OG1 : rot -66:sc= 1.12 USER MOD Single : C 46 HIS : no HE2:sc= -3.23! X(o=-3.2!,f=-2.9) 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 -43:sc= 0.632 USER MOD Single : C 52 GLN : amide:sc= 0 X(o=0,f=0) 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 180:sc= 0 USER MOD Single : C 59 ASN : amide:sc=-0.00757 X(o=-0.0076,f=-0.12) USER MOD Single : C 60 TYR OH : rot -52:sc= 1.29 USER MOD Single : C 64 SER OG : rot 180:sc= -2.05 USER MOD ----------------------------------------------------------------- ATOM 1 N THR C 9 14.757 28.078 -7.999 1.00 0.00 N ATOM 2 CA THR C 9 14.245 28.939 -6.896 1.00 0.00 C ATOM 3 C THR C 9 13.297 28.124 -6.013 1.00 0.00 C ATOM 4 O THR C 9 12.154 28.487 -5.814 1.00 0.00 O ATOM 5 CB THR C 9 13.492 30.133 -7.487 1.00 0.00 C ATOM 6 OG1 THR C 9 13.905 30.330 -8.832 1.00 0.00 O ATOM 7 CG2 THR C 9 13.798 31.388 -6.669 1.00 0.00 C ATOM 0 HA THR C 9 15.082 29.299 -6.297 1.00 0.00 H new ATOM 0 HB THR C 9 12.420 29.938 -7.459 1.00 0.00 H new ATOM 0 HG1 THR C 9 14.516 29.610 -9.095 1.00 0.00 H new ATOM 0 HG21 THR C 9 13.261 32.237 -7.091 1.00 0.00 H new ATOM 0 HG22 THR C 9 13.482 31.236 -5.637 1.00 0.00 H new ATOM 0 HG23 THR C 9 14.869 31.587 -6.695 1.00 0.00 H new ATOM 15 N PHE C 10 13.762 27.026 -5.483 1.00 0.00 N ATOM 16 CA PHE C 10 12.887 26.189 -4.615 1.00 0.00 C ATOM 17 C PHE C 10 13.352 26.304 -3.160 1.00 0.00 C ATOM 18 O PHE C 10 14.416 26.817 -2.878 1.00 0.00 O ATOM 19 CB PHE C 10 12.973 24.729 -5.061 1.00 0.00 C ATOM 20 CG PHE C 10 11.857 24.436 -6.067 1.00 0.00 C ATOM 21 CD1 PHE C 10 11.368 25.440 -6.882 1.00 0.00 C ATOM 22 CD2 PHE C 10 11.324 23.164 -6.171 1.00 0.00 C ATOM 23 CE1 PHE C 10 10.361 25.176 -7.788 1.00 0.00 C ATOM 24 CE2 PHE C 10 10.316 22.901 -7.077 1.00 0.00 C ATOM 25 CZ PHE C 10 9.836 23.908 -7.885 1.00 0.00 C ATOM 0 H PHE C 10 14.710 26.673 -5.614 1.00 0.00 H new ATOM 0 HA PHE C 10 11.857 26.535 -4.697 1.00 0.00 H new ATOM 0 HB2 PHE C 10 13.945 24.532 -5.513 1.00 0.00 H new ATOM 0 HB3 PHE C 10 12.883 24.068 -4.199 1.00 0.00 H new ATOM 0 HD1 PHE C 10 11.777 26.437 -6.809 1.00 0.00 H new ATOM 0 HD2 PHE C 10 11.699 22.372 -5.540 1.00 0.00 H new ATOM 0 HE1 PHE C 10 9.985 25.966 -8.422 1.00 0.00 H new ATOM 0 HE2 PHE C 10 9.904 21.906 -7.152 1.00 0.00 H new ATOM 0 HZ PHE C 10 9.048 23.702 -8.594 1.00 0.00 H new ATOM 35 N VAL C 11 12.562 25.831 -2.237 1.00 0.00 N ATOM 36 CA VAL C 11 12.958 25.913 -0.803 1.00 0.00 C ATOM 37 C VAL C 11 12.832 24.529 -0.162 1.00 0.00 C ATOM 38 O VAL C 11 11.893 23.802 -0.412 1.00 0.00 O ATOM 39 CB VAL C 11 12.044 26.902 -0.076 1.00 0.00 C ATOM 40 CG1 VAL C 11 12.724 27.375 1.211 1.00 0.00 C ATOM 41 CG2 VAL C 11 11.774 28.105 -0.981 1.00 0.00 C ATOM 0 H VAL C 11 11.659 25.391 -2.413 1.00 0.00 H new ATOM 0 HA VAL C 11 13.990 26.255 -0.728 1.00 0.00 H new ATOM 0 HB VAL C 11 11.102 26.412 0.170 1.00 0.00 H new ATOM 0 HG11 VAL C 11 12.073 28.079 1.729 1.00 0.00 H new ATOM 0 HG12 VAL C 11 12.918 26.518 1.856 1.00 0.00 H new ATOM 0 HG13 VAL C 11 13.666 27.865 0.966 1.00 0.00 H new ATOM 0 HG21 VAL C 11 11.123 28.810 -0.464 1.00 0.00 H new ATOM 0 HG22 VAL C 11 12.717 28.594 -1.227 1.00 0.00 H new ATOM 0 HG23 VAL C 11 11.290 27.769 -1.898 1.00 0.00 H new ATOM 51 N ALA C 12 13.771 24.160 0.666 1.00 0.00 N ATOM 52 CA ALA C 12 13.705 22.824 1.322 1.00 0.00 C ATOM 53 C ALA C 12 12.650 22.843 2.430 1.00 0.00 C ATOM 54 O ALA C 12 12.888 23.328 3.519 1.00 0.00 O ATOM 55 CB ALA C 12 15.069 22.484 1.923 1.00 0.00 C ATOM 0 H ALA C 12 14.581 24.727 0.916 1.00 0.00 H new ATOM 0 HA ALA C 12 13.435 22.072 0.581 1.00 0.00 H new ATOM 0 HB1 ALA C 12 15.022 21.507 2.403 1.00 0.00 H new ATOM 0 HB2 ALA C 12 15.820 22.464 1.133 1.00 0.00 H new ATOM 0 HB3 ALA C 12 15.339 23.238 2.662 1.00 0.00 H new ATOM 61 N LEU C 13 11.485 22.320 2.162 1.00 0.00 N ATOM 62 CA LEU C 13 10.414 22.306 3.198 1.00 0.00 C ATOM 63 C LEU C 13 10.853 21.436 4.376 1.00 0.00 C ATOM 64 O LEU C 13 10.306 21.518 5.458 1.00 0.00 O ATOM 65 CB LEU C 13 9.129 21.732 2.597 1.00 0.00 C ATOM 66 CG LEU C 13 8.421 22.814 1.779 1.00 0.00 C ATOM 67 CD1 LEU C 13 7.303 22.176 0.952 1.00 0.00 C ATOM 68 CD2 LEU C 13 7.823 23.859 2.723 1.00 0.00 C ATOM 0 H LEU C 13 11.228 21.901 1.268 1.00 0.00 H new ATOM 0 HA LEU C 13 10.233 23.324 3.544 1.00 0.00 H new ATOM 0 HB2 LEU C 13 9.362 20.876 1.964 1.00 0.00 H new ATOM 0 HB3 LEU C 13 8.473 21.373 3.390 1.00 0.00 H new ATOM 0 HG LEU C 13 9.138 23.294 1.114 1.00 0.00 H new ATOM 0 HD11 LEU C 13 6.797 22.946 0.369 1.00 0.00 H new ATOM 0 HD12 LEU C 13 7.728 21.431 0.279 1.00 0.00 H new ATOM 0 HD13 LEU C 13 6.586 21.696 1.618 1.00 0.00 H new ATOM 0 HD21 LEU C 13 7.319 24.630 2.140 1.00 0.00 H new ATOM 0 HD22 LEU C 13 7.105 23.380 3.389 1.00 0.00 H new ATOM 0 HD23 LEU C 13 8.618 24.313 3.314 1.00 0.00 H new ATOM 80 N TYR C 14 11.839 20.601 4.180 1.00 0.00 N ATOM 81 CA TYR C 14 12.304 19.730 5.296 1.00 0.00 C ATOM 82 C TYR C 14 13.822 19.552 5.224 1.00 0.00 C ATOM 83 O TYR C 14 14.434 19.754 4.194 1.00 0.00 O ATOM 84 CB TYR C 14 11.617 18.374 5.181 1.00 0.00 C ATOM 85 CG TYR C 14 10.107 18.589 5.260 1.00 0.00 C ATOM 86 CD1 TYR C 14 9.408 19.040 4.164 1.00 0.00 C ATOM 87 CD2 TYR C 14 9.433 18.360 6.438 1.00 0.00 C ATOM 88 CE1 TYR C 14 8.050 19.264 4.242 1.00 0.00 C ATOM 89 CE2 TYR C 14 8.073 18.580 6.521 1.00 0.00 C ATOM 90 CZ TYR C 14 7.370 19.035 5.422 1.00 0.00 C ATOM 91 OH TYR C 14 6.010 19.256 5.502 1.00 0.00 O ATOM 0 H TYR C 14 12.340 20.485 3.299 1.00 0.00 H new ATOM 0 HA TYR C 14 12.053 20.192 6.251 1.00 0.00 H new ATOM 0 HB2 TYR C 14 11.883 17.893 4.240 1.00 0.00 H new ATOM 0 HB3 TYR C 14 11.948 17.712 5.981 1.00 0.00 H new ATOM 0 HD1 TYR C 14 9.928 19.220 3.235 1.00 0.00 H new ATOM 0 HD2 TYR C 14 9.972 18.005 7.304 1.00 0.00 H new ATOM 0 HE1 TYR C 14 7.514 19.621 3.375 1.00 0.00 H new ATOM 0 HE2 TYR C 14 7.555 18.395 7.451 1.00 0.00 H new ATOM 0 HH TYR C 14 5.696 19.042 6.406 1.00 0.00 H new ATOM 101 N ASP C 15 14.433 19.174 6.315 1.00 0.00 N ATOM 102 CA ASP C 15 15.911 18.981 6.314 1.00 0.00 C ATOM 103 C ASP C 15 16.245 17.620 5.703 1.00 0.00 C ATOM 104 O ASP C 15 16.221 16.606 6.373 1.00 0.00 O ATOM 105 CB ASP C 15 16.440 19.033 7.751 1.00 0.00 C ATOM 106 CG ASP C 15 15.562 19.961 8.592 1.00 0.00 C ATOM 107 OD1 ASP C 15 14.542 19.501 9.078 1.00 0.00 O ATOM 108 OD2 ASP C 15 15.927 21.115 8.741 1.00 0.00 O ATOM 0 H ASP C 15 13.972 18.991 7.206 1.00 0.00 H new ATOM 0 HA ASP C 15 16.377 19.773 5.727 1.00 0.00 H new ATOM 0 HB2 ASP C 15 16.446 18.032 8.183 1.00 0.00 H new ATOM 0 HB3 ASP C 15 17.470 19.388 7.756 1.00 0.00 H new ATOM 113 N TYR C 16 16.556 17.585 4.436 1.00 0.00 N ATOM 114 CA TYR C 16 16.889 16.284 3.790 1.00 0.00 C ATOM 115 C TYR C 16 18.321 15.886 4.155 1.00 0.00 C ATOM 116 O TYR C 16 19.270 16.574 3.830 1.00 0.00 O ATOM 117 CB TYR C 16 16.771 16.423 2.272 1.00 0.00 C ATOM 118 CG TYR C 16 17.286 15.147 1.604 1.00 0.00 C ATOM 119 CD1 TYR C 16 16.868 13.908 2.044 1.00 0.00 C ATOM 120 CD2 TYR C 16 18.179 15.217 0.554 1.00 0.00 C ATOM 121 CE1 TYR C 16 17.335 12.756 1.443 1.00 0.00 C ATOM 122 CE2 TYR C 16 18.645 14.067 -0.046 1.00 0.00 C ATOM 123 CZ TYR C 16 18.227 12.827 0.393 1.00 0.00 C ATOM 124 OH TYR C 16 18.696 11.676 -0.207 1.00 0.00 O ATOM 0 H TYR C 16 16.594 18.399 3.822 1.00 0.00 H new ATOM 0 HA TYR C 16 16.197 15.517 4.139 1.00 0.00 H new ATOM 0 HB2 TYR C 16 15.733 16.600 1.991 1.00 0.00 H new ATOM 0 HB3 TYR C 16 17.345 17.284 1.929 1.00 0.00 H new ATOM 0 HD1 TYR C 16 16.170 13.839 2.865 1.00 0.00 H new ATOM 0 HD2 TYR C 16 18.515 16.180 0.200 1.00 0.00 H new ATOM 0 HE1 TYR C 16 17.000 11.793 1.797 1.00 0.00 H new ATOM 0 HE2 TYR C 16 19.343 14.137 -0.867 1.00 0.00 H new ATOM 0 HH TYR C 16 18.020 11.331 -0.827 1.00 0.00 H new ATOM 134 N GLU C 17 18.485 14.778 4.825 1.00 0.00 N ATOM 135 CA GLU C 17 19.854 14.334 5.211 1.00 0.00 C ATOM 136 C GLU C 17 20.301 13.202 4.284 1.00 0.00 C ATOM 137 O GLU C 17 20.479 12.076 4.705 1.00 0.00 O ATOM 138 CB GLU C 17 19.840 13.833 6.657 1.00 0.00 C ATOM 139 CG GLU C 17 20.284 14.960 7.592 1.00 0.00 C ATOM 140 CD GLU C 17 19.331 15.037 8.787 1.00 0.00 C ATOM 141 OE1 GLU C 17 19.399 14.159 9.631 1.00 0.00 O ATOM 142 OE2 GLU C 17 18.549 15.973 8.836 1.00 0.00 O ATOM 0 H GLU C 17 17.729 14.161 5.122 1.00 0.00 H new ATOM 0 HA GLU C 17 20.546 15.172 5.124 1.00 0.00 H new ATOM 0 HB2 GLU C 17 18.839 13.496 6.926 1.00 0.00 H new ATOM 0 HB3 GLU C 17 20.505 12.976 6.762 1.00 0.00 H new ATOM 0 HG2 GLU C 17 21.303 14.781 7.936 1.00 0.00 H new ATOM 0 HG3 GLU C 17 20.291 15.910 7.057 1.00 0.00 H new ATOM 149 N SER C 18 20.484 13.489 3.024 1.00 0.00 N ATOM 150 CA SER C 18 20.919 12.429 2.073 1.00 0.00 C ATOM 151 C SER C 18 22.034 11.597 2.708 1.00 0.00 C ATOM 152 O SER C 18 22.704 12.033 3.623 1.00 0.00 O ATOM 153 CB SER C 18 21.437 13.078 0.789 1.00 0.00 C ATOM 154 OG SER C 18 21.661 14.462 1.015 1.00 0.00 O ATOM 0 H SER C 18 20.351 14.413 2.613 1.00 0.00 H new ATOM 0 HA SER C 18 20.073 11.783 1.839 1.00 0.00 H new ATOM 0 HB2 SER C 18 22.362 12.596 0.473 1.00 0.00 H new ATOM 0 HB3 SER C 18 20.715 12.942 -0.016 1.00 0.00 H new ATOM 0 HG SER C 18 22.458 14.577 1.573 1.00 0.00 H new ATOM 160 N ARG C 19 22.240 10.400 2.230 1.00 0.00 N ATOM 161 CA ARG C 19 23.313 9.541 2.806 1.00 0.00 C ATOM 162 C ARG C 19 24.259 9.088 1.692 1.00 0.00 C ATOM 163 O ARG C 19 25.280 8.477 1.941 1.00 0.00 O ATOM 164 CB ARG C 19 22.682 8.315 3.470 1.00 0.00 C ATOM 165 CG ARG C 19 22.741 8.472 4.992 1.00 0.00 C ATOM 166 CD ARG C 19 21.677 7.582 5.638 1.00 0.00 C ATOM 167 NE ARG C 19 22.075 7.273 7.041 1.00 0.00 N ATOM 168 CZ ARG C 19 21.219 6.720 7.859 1.00 0.00 C ATOM 169 NH1 ARG C 19 20.010 6.436 7.451 1.00 0.00 N ATOM 170 NH2 ARG C 19 21.570 6.452 9.086 1.00 0.00 N ATOM 0 H ARG C 19 21.711 9.980 1.465 1.00 0.00 H new ATOM 0 HA ARG C 19 23.874 10.109 3.548 1.00 0.00 H new ATOM 0 HB2 ARG C 19 21.648 8.204 3.145 1.00 0.00 H new ATOM 0 HB3 ARG C 19 23.210 7.411 3.166 1.00 0.00 H new ATOM 0 HG2 ARG C 19 23.730 8.199 5.358 1.00 0.00 H new ATOM 0 HG3 ARG C 19 22.576 9.514 5.268 1.00 0.00 H new ATOM 0 HD2 ARG C 19 20.710 8.085 5.625 1.00 0.00 H new ATOM 0 HD3 ARG C 19 21.564 6.659 5.069 1.00 0.00 H new ATOM 0 HE ARG C 19 23.017 7.494 7.363 1.00 0.00 H new ATOM 0 HH11 ARG C 19 19.733 6.646 6.492 1.00 0.00 H new ATOM 0 HH12 ARG C 19 19.344 6.004 8.092 1.00 0.00 H new ATOM 0 HH21 ARG C 19 22.512 6.674 9.407 1.00 0.00 H new ATOM 0 HH22 ARG C 19 20.902 6.020 9.725 1.00 0.00 H new ATOM 184 N THR C 20 23.931 9.381 0.461 1.00 0.00 N ATOM 185 CA THR C 20 24.814 8.966 -0.665 1.00 0.00 C ATOM 186 C THR C 20 25.884 10.034 -0.900 1.00 0.00 C ATOM 187 O THR C 20 25.804 11.131 -0.381 1.00 0.00 O ATOM 188 CB THR C 20 23.978 8.794 -1.935 1.00 0.00 C ATOM 189 OG1 THR C 20 22.617 8.593 -1.579 1.00 0.00 O ATOM 190 CG2 THR C 20 24.486 7.585 -2.722 1.00 0.00 C ATOM 0 H THR C 20 23.090 9.890 0.188 1.00 0.00 H new ATOM 0 HA THR C 20 25.295 8.020 -0.416 1.00 0.00 H new ATOM 0 HB THR C 20 24.064 9.688 -2.552 1.00 0.00 H new ATOM 0 HG1 THR C 20 22.076 9.334 -1.924 1.00 0.00 H new ATOM 0 HG21 THR C 20 23.890 7.463 -3.626 1.00 0.00 H new ATOM 0 HG22 THR C 20 25.530 7.740 -2.994 1.00 0.00 H new ATOM 0 HG23 THR C 20 24.400 6.689 -2.108 1.00 0.00 H new ATOM 198 N GLU C 21 26.884 9.724 -1.678 1.00 0.00 N ATOM 199 CA GLU C 21 27.958 10.718 -1.948 1.00 0.00 C ATOM 200 C GLU C 21 27.583 11.562 -3.168 1.00 0.00 C ATOM 201 O GLU C 21 28.436 12.055 -3.879 1.00 0.00 O ATOM 202 CB GLU C 21 29.269 9.980 -2.224 1.00 0.00 C ATOM 203 CG GLU C 21 29.004 8.787 -3.146 1.00 0.00 C ATOM 204 CD GLU C 21 30.076 8.741 -4.237 1.00 0.00 C ATOM 205 OE1 GLU C 21 31.245 8.700 -3.891 1.00 0.00 O ATOM 206 OE2 GLU C 21 29.709 8.750 -5.401 1.00 0.00 O ATOM 0 H GLU C 21 27.003 8.822 -2.139 1.00 0.00 H new ATOM 0 HA GLU C 21 28.077 11.369 -1.082 1.00 0.00 H new ATOM 0 HB2 GLU C 21 29.988 10.656 -2.686 1.00 0.00 H new ATOM 0 HB3 GLU C 21 29.709 9.638 -1.287 1.00 0.00 H new ATOM 0 HG2 GLU C 21 29.013 7.860 -2.572 1.00 0.00 H new ATOM 0 HG3 GLU C 21 28.015 8.873 -3.596 1.00 0.00 H new ATOM 213 N THR C 22 26.313 11.734 -3.419 1.00 0.00 N ATOM 214 CA THR C 22 25.891 12.549 -4.594 1.00 0.00 C ATOM 215 C THR C 22 24.814 13.547 -4.161 1.00 0.00 C ATOM 216 O THR C 22 24.969 14.743 -4.306 1.00 0.00 O ATOM 217 CB THR C 22 25.325 11.634 -5.686 1.00 0.00 C ATOM 218 OG1 THR C 22 23.920 11.514 -5.519 1.00 0.00 O ATOM 219 CG2 THR C 22 25.970 10.250 -5.594 1.00 0.00 C ATOM 0 H THR C 22 25.551 11.346 -2.862 1.00 0.00 H new ATOM 0 HA THR C 22 26.754 13.086 -4.986 1.00 0.00 H new ATOM 0 HB THR C 22 25.543 12.065 -6.663 1.00 0.00 H new ATOM 0 HG1 THR C 22 23.474 11.668 -6.378 1.00 0.00 H new ATOM 0 HG21 THR C 22 25.562 9.606 -6.373 1.00 0.00 H new ATOM 0 HG22 THR C 22 27.048 10.342 -5.726 1.00 0.00 H new ATOM 0 HG23 THR C 22 25.760 9.815 -4.617 1.00 0.00 H new ATOM 227 N ASP C 23 23.724 13.063 -3.632 1.00 0.00 N ATOM 228 CA ASP C 23 22.637 13.983 -3.191 1.00 0.00 C ATOM 229 C ASP C 23 23.198 14.990 -2.184 1.00 0.00 C ATOM 230 O ASP C 23 23.948 14.641 -1.295 1.00 0.00 O ATOM 231 CB ASP C 23 21.518 13.172 -2.535 1.00 0.00 C ATOM 232 CG ASP C 23 21.298 11.875 -3.316 1.00 0.00 C ATOM 233 OD1 ASP C 23 21.969 10.902 -3.012 1.00 0.00 O ATOM 234 OD2 ASP C 23 20.462 11.877 -4.204 1.00 0.00 O ATOM 0 H ASP C 23 23.539 12.071 -3.486 1.00 0.00 H new ATOM 0 HA ASP C 23 22.240 14.517 -4.054 1.00 0.00 H new ATOM 0 HB2 ASP C 23 21.777 12.946 -1.501 1.00 0.00 H new ATOM 0 HB3 ASP C 23 20.598 13.755 -2.513 1.00 0.00 H new ATOM 239 N LEU C 24 22.841 16.239 -2.319 1.00 0.00 N ATOM 240 CA LEU C 24 23.352 17.268 -1.370 1.00 0.00 C ATOM 241 C LEU C 24 22.391 17.400 -0.187 1.00 0.00 C ATOM 242 O LEU C 24 21.268 17.839 -0.336 1.00 0.00 O ATOM 243 CB LEU C 24 23.462 18.614 -2.089 1.00 0.00 C ATOM 244 CG LEU C 24 24.683 18.603 -3.011 1.00 0.00 C ATOM 245 CD1 LEU C 24 24.478 19.613 -4.141 1.00 0.00 C ATOM 246 CD2 LEU C 24 25.931 18.979 -2.209 1.00 0.00 C ATOM 0 H LEU C 24 22.218 16.591 -3.046 1.00 0.00 H new ATOM 0 HA LEU C 24 24.334 16.967 -1.006 1.00 0.00 H new ATOM 0 HB2 LEU C 24 22.558 18.804 -2.668 1.00 0.00 H new ATOM 0 HB3 LEU C 24 23.550 19.421 -1.361 1.00 0.00 H new ATOM 0 HG LEU C 24 24.810 17.607 -3.434 1.00 0.00 H new ATOM 0 HD11 LEU C 24 25.348 19.605 -4.798 1.00 0.00 H new ATOM 0 HD12 LEU C 24 23.589 19.344 -4.712 1.00 0.00 H new ATOM 0 HD13 LEU C 24 24.351 20.610 -3.719 1.00 0.00 H new ATOM 0 HD21 LEU C 24 26.801 18.971 -2.865 1.00 0.00 H new ATOM 0 HD22 LEU C 24 25.805 19.975 -1.785 1.00 0.00 H new ATOM 0 HD23 LEU C 24 26.077 18.258 -1.404 1.00 0.00 H new ATOM 258 N SER C 25 22.820 17.025 0.986 1.00 0.00 N ATOM 259 CA SER C 25 21.925 17.132 2.173 1.00 0.00 C ATOM 260 C SER C 25 21.658 18.610 2.469 1.00 0.00 C ATOM 261 O SER C 25 22.571 19.394 2.631 1.00 0.00 O ATOM 262 CB SER C 25 22.599 16.483 3.383 1.00 0.00 C ATOM 263 OG SER C 25 23.689 15.684 2.945 1.00 0.00 O ATOM 0 H SER C 25 23.750 16.650 1.174 1.00 0.00 H new ATOM 0 HA SER C 25 20.984 16.622 1.969 1.00 0.00 H new ATOM 0 HB2 SER C 25 22.951 17.251 4.072 1.00 0.00 H new ATOM 0 HB3 SER C 25 21.881 15.870 3.928 1.00 0.00 H new ATOM 0 HG SER C 25 24.122 15.269 3.720 1.00 0.00 H new ATOM 269 N PHE C 26 20.414 18.996 2.540 1.00 0.00 N ATOM 270 CA PHE C 26 20.095 20.423 2.824 1.00 0.00 C ATOM 271 C PHE C 26 19.181 20.511 4.048 1.00 0.00 C ATOM 272 O PHE C 26 18.444 19.593 4.353 1.00 0.00 O ATOM 273 CB PHE C 26 19.391 21.041 1.614 1.00 0.00 C ATOM 274 CG PHE C 26 18.244 20.134 1.168 1.00 0.00 C ATOM 275 CD1 PHE C 26 16.988 20.274 1.723 1.00 0.00 C ATOM 276 CD2 PHE C 26 18.448 19.167 0.199 1.00 0.00 C ATOM 277 CE1 PHE C 26 15.949 19.461 1.318 1.00 0.00 C ATOM 278 CE2 PHE C 26 17.409 18.355 -0.206 1.00 0.00 C ATOM 279 CZ PHE C 26 16.159 18.502 0.353 1.00 0.00 C ATOM 0 H PHE C 26 19.606 18.386 2.414 1.00 0.00 H new ATOM 0 HA PHE C 26 21.018 20.967 3.023 1.00 0.00 H new ATOM 0 HB2 PHE C 26 19.008 22.029 1.869 1.00 0.00 H new ATOM 0 HB3 PHE C 26 20.100 21.175 0.797 1.00 0.00 H new ATOM 0 HD1 PHE C 26 16.817 21.025 2.480 1.00 0.00 H new ATOM 0 HD2 PHE C 26 19.426 19.047 -0.243 1.00 0.00 H new ATOM 0 HE1 PHE C 26 14.970 19.577 1.759 1.00 0.00 H new ATOM 0 HE2 PHE C 26 17.576 17.603 -0.963 1.00 0.00 H new ATOM 0 HZ PHE C 26 15.346 17.867 0.035 1.00 0.00 H new ATOM 289 N LYS C 27 19.222 21.609 4.752 1.00 0.00 N ATOM 290 CA LYS C 27 18.356 21.758 5.955 1.00 0.00 C ATOM 291 C LYS C 27 17.056 22.460 5.563 1.00 0.00 C ATOM 292 O LYS C 27 16.773 22.660 4.398 1.00 0.00 O ATOM 293 CB LYS C 27 19.088 22.589 7.010 1.00 0.00 C ATOM 294 CG LYS C 27 20.450 21.956 7.305 1.00 0.00 C ATOM 295 CD LYS C 27 20.273 20.797 8.290 1.00 0.00 C ATOM 296 CE LYS C 27 21.573 20.584 9.066 1.00 0.00 C ATOM 297 NZ LYS C 27 22.441 19.624 8.327 1.00 0.00 N ATOM 0 H LYS C 27 19.819 22.410 4.545 1.00 0.00 H new ATOM 0 HA LYS C 27 18.128 20.773 6.363 1.00 0.00 H new ATOM 0 HB2 LYS C 27 19.220 23.611 6.656 1.00 0.00 H new ATOM 0 HB3 LYS C 27 18.494 22.642 7.923 1.00 0.00 H new ATOM 0 HG2 LYS C 27 20.903 21.596 6.381 1.00 0.00 H new ATOM 0 HG3 LYS C 27 21.127 22.702 7.722 1.00 0.00 H new ATOM 0 HD2 LYS C 27 19.457 21.013 8.979 1.00 0.00 H new ATOM 0 HD3 LYS C 27 20.004 19.887 7.753 1.00 0.00 H new ATOM 0 HE2 LYS C 27 22.091 21.534 9.196 1.00 0.00 H new ATOM 0 HE3 LYS C 27 21.355 20.201 10.063 1.00 0.00 H new ATOM 0 HZ1 LYS C 27 23.325 19.479 8.854 1.00 0.00 H new ATOM 0 HZ2 LYS C 27 21.945 18.715 8.225 1.00 0.00 H new ATOM 0 HZ3 LYS C 27 22.659 20.007 7.385 1.00 0.00 H new ATOM 311 N LYS C 28 16.262 22.837 6.527 1.00 0.00 N ATOM 312 CA LYS C 28 14.979 23.526 6.211 1.00 0.00 C ATOM 313 C LYS C 28 15.222 25.034 6.111 1.00 0.00 C ATOM 314 O LYS C 28 15.510 25.693 7.090 1.00 0.00 O ATOM 315 CB LYS C 28 13.962 23.246 7.320 1.00 0.00 C ATOM 316 CG LYS C 28 12.568 23.671 6.853 1.00 0.00 C ATOM 317 CD LYS C 28 11.716 24.046 8.068 1.00 0.00 C ATOM 318 CE LYS C 28 10.817 22.866 8.443 1.00 0.00 C ATOM 319 NZ LYS C 28 11.334 22.224 9.686 1.00 0.00 N ATOM 0 H LYS C 28 16.446 22.698 7.520 1.00 0.00 H new ATOM 0 HA LYS C 28 14.592 23.156 5.262 1.00 0.00 H new ATOM 0 HB2 LYS C 28 13.965 22.185 7.572 1.00 0.00 H new ATOM 0 HB3 LYS C 28 14.236 23.789 8.225 1.00 0.00 H new ATOM 0 HG2 LYS C 28 12.643 24.519 6.172 1.00 0.00 H new ATOM 0 HG3 LYS C 28 12.095 22.860 6.300 1.00 0.00 H new ATOM 0 HD2 LYS C 28 12.358 24.310 8.909 1.00 0.00 H new ATOM 0 HD3 LYS C 28 11.109 24.923 7.843 1.00 0.00 H new ATOM 0 HE2 LYS C 28 9.794 23.209 8.596 1.00 0.00 H new ATOM 0 HE3 LYS C 28 10.792 22.141 7.630 1.00 0.00 H new ATOM 0 HZ1 LYS C 28 10.724 21.422 9.942 1.00 0.00 H new ATOM 0 HZ2 LYS C 28 12.303 21.884 9.524 1.00 0.00 H new ATOM 0 HZ3 LYS C 28 11.336 22.918 10.460 1.00 0.00 H new ATOM 333 N GLY C 29 15.111 25.584 4.933 1.00 0.00 N ATOM 334 CA GLY C 29 15.335 27.048 4.772 1.00 0.00 C ATOM 335 C GLY C 29 16.416 27.286 3.715 1.00 0.00 C ATOM 336 O GLY C 29 16.639 28.399 3.282 1.00 0.00 O ATOM 0 H GLY C 29 14.875 25.083 4.076 1.00 0.00 H new ATOM 0 HA2 GLY C 29 14.408 27.538 4.476 1.00 0.00 H new ATOM 0 HA3 GLY C 29 15.638 27.487 5.723 1.00 0.00 H new ATOM 340 N GLU C 30 17.089 26.250 3.297 1.00 0.00 N ATOM 341 CA GLU C 30 18.153 26.418 2.269 1.00 0.00 C ATOM 342 C GLU C 30 17.513 26.519 0.883 1.00 0.00 C ATOM 343 O GLU C 30 16.528 25.869 0.595 1.00 0.00 O ATOM 344 CB GLU C 30 19.097 25.214 2.309 1.00 0.00 C ATOM 345 CG GLU C 30 20.366 25.536 1.518 1.00 0.00 C ATOM 346 CD GLU C 30 21.560 25.594 2.472 1.00 0.00 C ATOM 347 OE1 GLU C 30 21.853 24.581 3.087 1.00 0.00 O ATOM 348 OE2 GLU C 30 22.163 26.650 2.574 1.00 0.00 O ATOM 0 H GLU C 30 16.948 25.294 3.623 1.00 0.00 H new ATOM 0 HA GLU C 30 18.716 27.328 2.476 1.00 0.00 H new ATOM 0 HB2 GLU C 30 19.350 24.971 3.341 1.00 0.00 H new ATOM 0 HB3 GLU C 30 18.605 24.338 1.887 1.00 0.00 H new ATOM 0 HG2 GLU C 30 20.534 24.777 0.754 1.00 0.00 H new ATOM 0 HG3 GLU C 30 20.253 26.489 1.001 1.00 0.00 H new ATOM 355 N ARG C 31 18.066 27.328 0.023 1.00 0.00 N ATOM 356 CA ARG C 31 17.489 27.471 -1.344 1.00 0.00 C ATOM 357 C ARG C 31 18.152 26.461 -2.284 1.00 0.00 C ATOM 358 O ARG C 31 19.345 26.243 -2.233 1.00 0.00 O ATOM 359 CB ARG C 31 17.741 28.890 -1.860 1.00 0.00 C ATOM 360 CG ARG C 31 17.434 29.899 -0.752 1.00 0.00 C ATOM 361 CD ARG C 31 18.685 30.726 -0.453 1.00 0.00 C ATOM 362 NE ARG C 31 18.576 31.319 0.909 1.00 0.00 N ATOM 363 CZ ARG C 31 19.622 31.861 1.475 1.00 0.00 C ATOM 364 NH1 ARG C 31 20.768 31.886 0.849 1.00 0.00 N ATOM 365 NH2 ARG C 31 19.521 32.378 2.669 1.00 0.00 N ATOM 0 H ARG C 31 18.893 27.897 0.207 1.00 0.00 H new ATOM 0 HA ARG C 31 16.416 27.284 -1.307 1.00 0.00 H new ATOM 0 HB2 ARG C 31 18.777 28.992 -2.182 1.00 0.00 H new ATOM 0 HB3 ARG C 31 17.115 29.088 -2.730 1.00 0.00 H new ATOM 0 HG2 ARG C 31 16.617 30.553 -1.058 1.00 0.00 H new ATOM 0 HG3 ARG C 31 17.106 29.378 0.148 1.00 0.00 H new ATOM 0 HD2 ARG C 31 19.573 30.097 -0.517 1.00 0.00 H new ATOM 0 HD3 ARG C 31 18.798 31.515 -1.197 1.00 0.00 H new ATOM 0 HE ARG C 31 17.683 31.302 1.401 1.00 0.00 H new ATOM 0 HH11 ARG C 31 20.848 31.482 -0.084 1.00 0.00 H new ATOM 0 HH12 ARG C 31 21.583 32.310 1.293 1.00 0.00 H new ATOM 0 HH21 ARG C 31 18.627 32.359 3.159 1.00 0.00 H new ATOM 0 HH22 ARG C 31 20.336 32.801 3.112 1.00 0.00 H new ATOM 379 N LEU C 32 17.386 25.843 -3.141 1.00 0.00 N ATOM 380 CA LEU C 32 17.974 24.848 -4.083 1.00 0.00 C ATOM 381 C LEU C 32 17.417 25.084 -5.488 1.00 0.00 C ATOM 382 O LEU C 32 16.227 25.243 -5.677 1.00 0.00 O ATOM 383 CB LEU C 32 17.613 23.435 -3.622 1.00 0.00 C ATOM 384 CG LEU C 32 18.109 23.224 -2.190 1.00 0.00 C ATOM 385 CD1 LEU C 32 17.048 22.466 -1.389 1.00 0.00 C ATOM 386 CD2 LEU C 32 19.406 22.413 -2.214 1.00 0.00 C ATOM 0 H LEU C 32 16.380 25.984 -3.230 1.00 0.00 H new ATOM 0 HA LEU C 32 19.058 24.959 -4.099 1.00 0.00 H new ATOM 0 HB2 LEU C 32 16.534 23.290 -3.670 1.00 0.00 H new ATOM 0 HB3 LEU C 32 18.063 22.698 -4.287 1.00 0.00 H new ATOM 0 HG LEU C 32 18.294 24.191 -1.723 1.00 0.00 H new ATOM 0 HD11 LEU C 32 17.401 22.315 -0.369 1.00 0.00 H new ATOM 0 HD12 LEU C 32 16.124 23.043 -1.372 1.00 0.00 H new ATOM 0 HD13 LEU C 32 16.863 21.498 -1.855 1.00 0.00 H new ATOM 0 HD21 LEU C 32 19.760 22.262 -1.194 1.00 0.00 H new ATOM 0 HD22 LEU C 32 19.222 21.445 -2.681 1.00 0.00 H new ATOM 0 HD23 LEU C 32 20.162 22.953 -2.784 1.00 0.00 H new ATOM 398 N GLN C 33 18.269 25.109 -6.477 1.00 0.00 N ATOM 399 CA GLN C 33 17.788 25.334 -7.869 1.00 0.00 C ATOM 400 C GLN C 33 17.283 24.014 -8.455 1.00 0.00 C ATOM 401 O GLN C 33 17.959 23.005 -8.410 1.00 0.00 O ATOM 402 CB GLN C 33 18.938 25.867 -8.726 1.00 0.00 C ATOM 403 CG GLN C 33 18.383 26.419 -10.040 1.00 0.00 C ATOM 404 CD GLN C 33 19.185 25.846 -11.211 1.00 0.00 C ATOM 405 OE1 GLN C 33 19.615 24.711 -11.170 1.00 0.00 O ATOM 406 NE2 GLN C 33 19.405 26.591 -12.261 1.00 0.00 N ATOM 0 H GLN C 33 19.277 24.983 -6.381 1.00 0.00 H new ATOM 0 HA GLN C 33 16.975 26.060 -7.859 1.00 0.00 H new ATOM 0 HB2 GLN C 33 19.474 26.649 -8.188 1.00 0.00 H new ATOM 0 HB3 GLN C 33 19.654 25.071 -8.928 1.00 0.00 H new ATOM 0 HG2 GLN C 33 17.330 26.155 -10.142 1.00 0.00 H new ATOM 0 HG3 GLN C 33 18.441 27.507 -10.043 1.00 0.00 H new ATOM 0 HE21 GLN C 33 19.044 27.544 -12.295 1.00 0.00 H new ATOM 0 HE22 GLN C 33 19.938 26.220 -13.047 1.00 0.00 H new ATOM 415 N ILE C 34 16.100 24.012 -9.006 1.00 0.00 N ATOM 416 CA ILE C 34 15.556 22.756 -9.595 1.00 0.00 C ATOM 417 C ILE C 34 16.100 22.582 -11.015 1.00 0.00 C ATOM 418 O ILE C 34 16.021 23.475 -11.834 1.00 0.00 O ATOM 419 CB ILE C 34 14.029 22.835 -9.639 1.00 0.00 C ATOM 420 CG1 ILE C 34 13.488 23.046 -8.224 1.00 0.00 C ATOM 421 CG2 ILE C 34 13.466 21.530 -10.208 1.00 0.00 C ATOM 422 CD1 ILE C 34 14.137 22.036 -7.274 1.00 0.00 C ATOM 0 H ILE C 34 15.487 24.825 -9.074 1.00 0.00 H new ATOM 0 HA ILE C 34 15.858 21.906 -8.984 1.00 0.00 H new ATOM 0 HB ILE C 34 13.728 23.669 -10.273 1.00 0.00 H new ATOM 0 HG12 ILE C 34 13.698 24.062 -7.891 1.00 0.00 H new ATOM 0 HG13 ILE C 34 12.405 22.925 -8.216 1.00 0.00 H new ATOM 0 HG21 ILE C 34 12.378 21.586 -10.239 1.00 0.00 H new ATOM 0 HG22 ILE C 34 13.851 21.377 -11.216 1.00 0.00 H new ATOM 0 HG23 ILE C 34 13.768 20.696 -9.574 1.00 0.00 H new ATOM 0 HD11 ILE C 34 13.752 22.186 -6.265 1.00 0.00 H new ATOM 0 HD12 ILE C 34 13.904 21.024 -7.605 1.00 0.00 H new ATOM 0 HD13 ILE C 34 15.218 22.178 -7.275 1.00 0.00 H new ATOM 434 N VAL C 35 16.653 21.438 -11.310 1.00 0.00 N ATOM 435 CA VAL C 35 17.202 21.207 -12.677 1.00 0.00 C ATOM 436 C VAL C 35 16.116 20.599 -13.565 1.00 0.00 C ATOM 437 O VAL C 35 15.981 20.942 -14.722 1.00 0.00 O ATOM 438 CB VAL C 35 18.391 20.247 -12.595 1.00 0.00 C ATOM 439 CG1 VAL C 35 18.813 19.836 -14.008 1.00 0.00 C ATOM 440 CG2 VAL C 35 19.561 20.942 -11.896 1.00 0.00 C ATOM 0 H VAL C 35 16.749 20.654 -10.665 1.00 0.00 H new ATOM 0 HA VAL C 35 17.531 22.156 -13.102 1.00 0.00 H new ATOM 0 HB VAL C 35 18.104 19.361 -12.029 1.00 0.00 H new ATOM 0 HG11 VAL C 35 19.660 19.152 -13.950 1.00 0.00 H new ATOM 0 HG12 VAL C 35 17.980 19.341 -14.507 1.00 0.00 H new ATOM 0 HG13 VAL C 35 19.100 20.722 -14.574 1.00 0.00 H new ATOM 0 HG21 VAL C 35 20.408 20.258 -11.838 1.00 0.00 H new ATOM 0 HG22 VAL C 35 19.848 21.828 -12.462 1.00 0.00 H new ATOM 0 HG23 VAL C 35 19.261 21.235 -10.890 1.00 0.00 H new ATOM 450 N ASN C 36 15.339 19.702 -13.028 1.00 0.00 N ATOM 451 CA ASN C 36 14.259 19.069 -13.838 1.00 0.00 C ATOM 452 C ASN C 36 13.238 18.414 -12.906 1.00 0.00 C ATOM 453 O ASN C 36 13.316 18.537 -11.700 1.00 0.00 O ATOM 454 CB ASN C 36 14.868 18.007 -14.756 1.00 0.00 C ATOM 455 CG ASN C 36 14.231 18.107 -16.144 1.00 0.00 C ATOM 456 OD1 ASN C 36 13.035 18.287 -16.265 1.00 0.00 O ATOM 457 ND2 ASN C 36 14.984 17.999 -17.204 1.00 0.00 N ATOM 0 H ASN C 36 15.404 19.379 -12.063 1.00 0.00 H new ATOM 0 HA ASN C 36 13.763 19.830 -14.441 1.00 0.00 H new ATOM 0 HB2 ASN C 36 15.946 18.148 -14.828 1.00 0.00 H new ATOM 0 HB3 ASN C 36 14.704 17.013 -14.339 1.00 0.00 H new ATOM 0 HD21 ASN C 36 14.569 18.066 -18.133 1.00 0.00 H new ATOM 0 HD22 ASN C 36 15.988 17.848 -17.103 1.00 0.00 H new ATOM 464 N ASN C 37 12.280 17.719 -13.456 1.00 0.00 N ATOM 465 CA ASN C 37 11.254 17.056 -12.602 1.00 0.00 C ATOM 466 C ASN C 37 10.634 15.883 -13.366 1.00 0.00 C ATOM 467 O ASN C 37 9.429 15.739 -13.428 1.00 0.00 O ATOM 468 CB ASN C 37 10.160 18.064 -12.243 1.00 0.00 C ATOM 469 CG ASN C 37 9.705 18.798 -13.505 1.00 0.00 C ATOM 470 OD1 ASN C 37 9.542 18.195 -14.547 1.00 0.00 O ATOM 471 ND2 ASN C 37 9.492 20.085 -13.456 1.00 0.00 N ATOM 0 H ASN C 37 12.163 17.582 -14.460 1.00 0.00 H new ATOM 0 HA ASN C 37 11.724 16.688 -11.690 1.00 0.00 H new ATOM 0 HB2 ASN C 37 9.315 17.551 -11.784 1.00 0.00 H new ATOM 0 HB3 ASN C 37 10.536 18.778 -11.510 1.00 0.00 H new ATOM 0 HD21 ASN C 37 9.189 20.584 -14.292 1.00 0.00 H new ATOM 0 HD22 ASN C 37 9.629 20.592 -12.581 1.00 0.00 H new ATOM 478 N THR C 38 11.448 15.045 -13.946 1.00 0.00 N ATOM 479 CA THR C 38 10.904 13.884 -14.704 1.00 0.00 C ATOM 480 C THR C 38 11.604 12.602 -14.248 1.00 0.00 C ATOM 481 O THR C 38 11.944 11.752 -15.047 1.00 0.00 O ATOM 482 CB THR C 38 11.148 14.092 -16.201 1.00 0.00 C ATOM 483 OG1 THR C 38 10.781 12.916 -16.907 1.00 0.00 O ATOM 484 CG2 THR C 38 12.628 14.395 -16.441 1.00 0.00 C ATOM 0 H THR C 38 12.466 15.114 -13.928 1.00 0.00 H new ATOM 0 HA THR C 38 9.833 13.799 -14.518 1.00 0.00 H new ATOM 0 HB THR C 38 10.547 14.930 -16.555 1.00 0.00 H new ATOM 0 HG1 THR C 38 11.384 12.184 -16.659 1.00 0.00 H new ATOM 0 HG21 THR C 38 12.801 14.543 -17.507 1.00 0.00 H new ATOM 0 HG22 THR C 38 12.907 15.299 -15.899 1.00 0.00 H new ATOM 0 HG23 THR C 38 13.232 13.559 -16.088 1.00 0.00 H new ATOM 492 N GLU C 39 11.821 12.456 -12.969 1.00 0.00 N ATOM 493 CA GLU C 39 12.499 11.229 -12.465 1.00 0.00 C ATOM 494 C GLU C 39 11.538 10.449 -11.567 1.00 0.00 C ATOM 495 O GLU C 39 11.705 9.267 -11.339 1.00 0.00 O ATOM 496 CB GLU C 39 13.739 11.625 -11.661 1.00 0.00 C ATOM 497 CG GLU C 39 14.982 11.015 -12.310 1.00 0.00 C ATOM 498 CD GLU C 39 15.757 10.205 -11.269 1.00 0.00 C ATOM 499 OE1 GLU C 39 15.763 10.610 -10.118 1.00 0.00 O ATOM 500 OE2 GLU C 39 16.328 9.193 -11.639 1.00 0.00 O ATOM 0 H GLU C 39 11.558 13.133 -12.253 1.00 0.00 H new ATOM 0 HA GLU C 39 12.796 10.606 -13.308 1.00 0.00 H new ATOM 0 HB2 GLU C 39 13.830 12.711 -11.624 1.00 0.00 H new ATOM 0 HB3 GLU C 39 13.645 11.278 -10.632 1.00 0.00 H new ATOM 0 HG2 GLU C 39 14.693 10.374 -13.143 1.00 0.00 H new ATOM 0 HG3 GLU C 39 15.615 11.802 -12.719 1.00 0.00 H new ATOM 507 N GLY C 40 10.530 11.100 -11.053 1.00 0.00 N ATOM 508 CA GLY C 40 9.559 10.396 -10.170 1.00 0.00 C ATOM 509 C GLY C 40 9.497 11.103 -8.815 1.00 0.00 C ATOM 510 O GLY C 40 8.725 12.019 -8.617 1.00 0.00 O ATOM 0 H GLY C 40 10.338 12.090 -11.207 1.00 0.00 H new ATOM 0 HA2 GLY C 40 8.572 10.386 -10.632 1.00 0.00 H new ATOM 0 HA3 GLY C 40 9.860 9.357 -10.037 1.00 0.00 H new ATOM 514 N ASP C 41 10.304 10.684 -7.880 1.00 0.00 N ATOM 515 CA ASP C 41 10.291 11.332 -6.538 1.00 0.00 C ATOM 516 C ASP C 41 11.704 11.800 -6.184 1.00 0.00 C ATOM 517 O ASP C 41 12.078 11.860 -5.030 1.00 0.00 O ATOM 518 CB ASP C 41 9.810 10.326 -5.491 1.00 0.00 C ATOM 519 CG ASP C 41 8.691 9.469 -6.085 1.00 0.00 C ATOM 520 OD1 ASP C 41 7.581 9.966 -6.186 1.00 0.00 O ATOM 521 OD2 ASP C 41 8.963 8.330 -6.429 1.00 0.00 O ATOM 0 H ASP C 41 10.972 9.921 -7.987 1.00 0.00 H new ATOM 0 HA ASP C 41 9.618 12.189 -6.555 1.00 0.00 H new ATOM 0 HB2 ASP C 41 10.638 9.693 -5.172 1.00 0.00 H new ATOM 0 HB3 ASP C 41 9.450 10.850 -4.606 1.00 0.00 H new ATOM 526 N TRP C 42 12.492 12.132 -7.169 1.00 0.00 N ATOM 527 CA TRP C 42 13.879 12.595 -6.889 1.00 0.00 C ATOM 528 C TRP C 42 14.376 13.455 -8.054 1.00 0.00 C ATOM 529 O TRP C 42 14.685 12.957 -9.118 1.00 0.00 O ATOM 530 CB TRP C 42 14.798 11.383 -6.719 1.00 0.00 C ATOM 531 CG TRP C 42 14.556 10.754 -5.345 1.00 0.00 C ATOM 532 CD1 TRP C 42 13.760 9.697 -5.109 1.00 0.00 C ATOM 533 CD2 TRP C 42 15.097 11.178 -4.205 1.00 0.00 C ATOM 534 NE1 TRP C 42 13.855 9.520 -3.790 1.00 0.00 N ATOM 535 CE2 TRP C 42 14.667 10.399 -3.148 1.00 0.00 C ATOM 536 CE3 TRP C 42 15.968 12.224 -3.982 1.00 0.00 C ATOM 537 CZ2 TRP C 42 15.110 10.668 -1.869 1.00 0.00 C ATOM 538 CZ3 TRP C 42 16.411 12.493 -2.702 1.00 0.00 C ATOM 539 CH2 TRP C 42 15.981 11.714 -1.647 1.00 0.00 C ATOM 0 H TRP C 42 12.235 12.102 -8.156 1.00 0.00 H new ATOM 0 HA TRP C 42 13.886 13.186 -5.973 1.00 0.00 H new ATOM 0 HB2 TRP C 42 14.605 10.653 -7.505 1.00 0.00 H new ATOM 0 HB3 TRP C 42 15.841 11.686 -6.814 1.00 0.00 H new ATOM 0 HD1 TRP C 42 13.180 9.126 -5.819 1.00 0.00 H new ATOM 0 HE1 TRP C 42 13.354 8.779 -3.300 1.00 0.00 H new ATOM 0 HE3 TRP C 42 16.304 12.833 -4.809 1.00 0.00 H new ATOM 0 HZ2 TRP C 42 14.775 10.060 -1.042 1.00 0.00 H new ATOM 0 HZ3 TRP C 42 17.093 13.312 -2.527 1.00 0.00 H new ATOM 0 HH2 TRP C 42 16.327 11.924 -0.646 1.00 0.00 H new ATOM 550 N TRP C 43 14.453 14.743 -7.860 1.00 0.00 N ATOM 551 CA TRP C 43 14.929 15.635 -8.955 1.00 0.00 C ATOM 552 C TRP C 43 16.373 16.056 -8.677 1.00 0.00 C ATOM 553 O TRP C 43 16.882 15.876 -7.589 1.00 0.00 O ATOM 554 CB TRP C 43 14.042 16.880 -9.021 1.00 0.00 C ATOM 555 CG TRP C 43 12.571 16.461 -9.051 1.00 0.00 C ATOM 556 CD1 TRP C 43 12.081 15.417 -9.741 1.00 0.00 C ATOM 557 CD2 TRP C 43 11.588 17.080 -8.402 1.00 0.00 C ATOM 558 NE1 TRP C 43 10.775 15.449 -9.470 1.00 0.00 N ATOM 559 CE2 TRP C 43 10.380 16.451 -8.643 1.00 0.00 C ATOM 560 CE3 TRP C 43 11.635 18.190 -7.582 1.00 0.00 C ATOM 561 CZ2 TRP C 43 9.224 16.933 -8.065 1.00 0.00 C ATOM 562 CZ3 TRP C 43 10.478 18.671 -7.004 1.00 0.00 C ATOM 563 CH2 TRP C 43 9.272 18.043 -7.246 1.00 0.00 C ATOM 0 H TRP C 43 14.207 15.216 -6.991 1.00 0.00 H new ATOM 0 HA TRP C 43 14.880 15.102 -9.904 1.00 0.00 H new ATOM 0 HB2 TRP C 43 14.231 17.520 -8.159 1.00 0.00 H new ATOM 0 HB3 TRP C 43 14.283 17.464 -9.910 1.00 0.00 H new ATOM 0 HD1 TRP C 43 12.617 14.718 -10.366 1.00 0.00 H new ATOM 0 HE1 TRP C 43 10.120 14.769 -9.856 1.00 0.00 H new ATOM 0 HE3 TRP C 43 12.578 18.682 -7.393 1.00 0.00 H new ATOM 0 HZ2 TRP C 43 8.281 16.442 -8.253 1.00 0.00 H new ATOM 0 HZ3 TRP C 43 10.516 19.539 -6.362 1.00 0.00 H new ATOM 0 HH2 TRP C 43 8.366 18.420 -6.794 1.00 0.00 H new ATOM 574 N LEU C 44 17.038 16.611 -9.651 1.00 0.00 N ATOM 575 CA LEU C 44 18.449 17.042 -9.438 1.00 0.00 C ATOM 576 C LEU C 44 18.480 18.535 -9.116 1.00 0.00 C ATOM 577 O LEU C 44 18.129 19.363 -9.933 1.00 0.00 O ATOM 578 CB LEU C 44 19.264 16.775 -10.704 1.00 0.00 C ATOM 579 CG LEU C 44 20.734 17.105 -10.440 1.00 0.00 C ATOM 580 CD1 LEU C 44 21.388 15.954 -9.673 1.00 0.00 C ATOM 581 CD2 LEU C 44 21.458 17.306 -11.772 1.00 0.00 C ATOM 0 H LEU C 44 16.667 16.785 -10.585 1.00 0.00 H new ATOM 0 HA LEU C 44 18.879 16.481 -8.608 1.00 0.00 H new ATOM 0 HB2 LEU C 44 19.162 15.732 -11.002 1.00 0.00 H new ATOM 0 HB3 LEU C 44 18.886 17.381 -11.528 1.00 0.00 H new ATOM 0 HG LEU C 44 20.800 18.018 -9.848 1.00 0.00 H new ATOM 0 HD11 LEU C 44 22.435 16.190 -9.486 1.00 0.00 H new ATOM 0 HD12 LEU C 44 20.873 15.811 -8.723 1.00 0.00 H new ATOM 0 HD13 LEU C 44 21.322 15.040 -10.263 1.00 0.00 H new ATOM 0 HD21 LEU C 44 22.506 17.541 -11.585 1.00 0.00 H new ATOM 0 HD22 LEU C 44 21.391 16.393 -12.364 1.00 0.00 H new ATOM 0 HD23 LEU C 44 20.994 18.127 -12.318 1.00 0.00 H new ATOM 593 N ALA C 45 18.898 18.889 -7.932 1.00 0.00 N ATOM 594 CA ALA C 45 18.949 20.332 -7.564 1.00 0.00 C ATOM 595 C ALA C 45 20.396 20.827 -7.621 1.00 0.00 C ATOM 596 O ALA C 45 21.326 20.050 -7.713 1.00 0.00 O ATOM 597 CB ALA C 45 18.404 20.517 -6.147 1.00 0.00 C ATOM 0 H ALA C 45 19.206 18.243 -7.205 1.00 0.00 H new ATOM 0 HA ALA C 45 18.343 20.905 -8.266 1.00 0.00 H new ATOM 0 HB1 ALA C 45 18.441 21.573 -5.878 1.00 0.00 H new ATOM 0 HB2 ALA C 45 17.372 20.168 -6.106 1.00 0.00 H new ATOM 0 HB3 ALA C 45 19.010 19.942 -5.446 1.00 0.00 H new ATOM 603 N HIS C 46 20.589 22.116 -7.563 1.00 0.00 N ATOM 604 CA HIS C 46 21.969 22.671 -7.614 1.00 0.00 C ATOM 605 C HIS C 46 22.074 23.850 -6.643 1.00 0.00 C ATOM 606 O HIS C 46 21.466 24.884 -6.840 1.00 0.00 O ATOM 607 CB HIS C 46 22.274 23.142 -9.041 1.00 0.00 C ATOM 608 CG HIS C 46 23.493 24.070 -9.033 1.00 0.00 C ATOM 609 ND1 HIS C 46 24.681 23.713 -8.774 1.00 0.00 N ATOM 610 CD2 HIS C 46 23.574 25.427 -9.286 1.00 0.00 C ATOM 611 CE1 HIS C 46 25.477 24.713 -8.844 1.00 0.00 C ATOM 612 NE2 HIS C 46 24.848 25.833 -9.164 1.00 0.00 N ATOM 0 H HIS C 46 19.847 22.811 -7.482 1.00 0.00 H new ATOM 0 HA HIS C 46 22.688 21.903 -7.328 1.00 0.00 H new ATOM 0 HB2 HIS C 46 22.464 22.283 -9.684 1.00 0.00 H new ATOM 0 HB3 HIS C 46 21.411 23.664 -9.453 1.00 0.00 H new ATOM 0 HD1 HIS C 46 24.964 22.761 -8.542 1.00 0.00 H new ATOM 0 HD2 HIS C 46 22.740 26.063 -9.543 1.00 0.00 H new ATOM 0 HE1 HIS C 46 26.540 24.650 -8.663 1.00 0.00 H new ATOM 620 N SER C 47 22.839 23.704 -5.596 1.00 0.00 N ATOM 621 CA SER C 47 22.981 24.816 -4.615 1.00 0.00 C ATOM 622 C SER C 47 23.649 26.012 -5.297 1.00 0.00 C ATOM 623 O SER C 47 24.307 25.873 -6.308 1.00 0.00 O ATOM 624 CB SER C 47 23.844 24.352 -3.439 1.00 0.00 C ATOM 625 OG SER C 47 23.104 23.441 -2.640 1.00 0.00 O ATOM 0 H SER C 47 23.372 22.862 -5.378 1.00 0.00 H new ATOM 0 HA SER C 47 21.996 25.108 -4.250 1.00 0.00 H new ATOM 0 HB2 SER C 47 24.753 23.875 -3.807 1.00 0.00 H new ATOM 0 HB3 SER C 47 24.153 25.209 -2.841 1.00 0.00 H new ATOM 0 HG SER C 47 23.656 23.142 -1.888 1.00 0.00 H new ATOM 631 N LEU C 48 23.485 27.187 -4.753 1.00 0.00 N ATOM 632 CA LEU C 48 24.112 28.388 -5.373 1.00 0.00 C ATOM 633 C LEU C 48 25.335 28.806 -4.556 1.00 0.00 C ATOM 634 O LEU C 48 26.085 29.679 -4.947 1.00 0.00 O ATOM 635 CB LEU C 48 23.100 29.536 -5.397 1.00 0.00 C ATOM 636 CG LEU C 48 21.947 29.180 -6.337 1.00 0.00 C ATOM 637 CD1 LEU C 48 20.970 30.355 -6.412 1.00 0.00 C ATOM 638 CD2 LEU C 48 22.499 28.885 -7.734 1.00 0.00 C ATOM 0 H LEU C 48 22.944 27.367 -3.907 1.00 0.00 H new ATOM 0 HA LEU C 48 24.419 28.151 -6.392 1.00 0.00 H new ATOM 0 HB2 LEU C 48 22.720 29.721 -4.392 1.00 0.00 H new ATOM 0 HB3 LEU C 48 23.584 30.455 -5.729 1.00 0.00 H new ATOM 0 HG LEU C 48 21.428 28.299 -5.959 1.00 0.00 H new ATOM 0 HD11 LEU C 48 20.148 30.102 -7.082 1.00 0.00 H new ATOM 0 HD12 LEU C 48 20.576 30.565 -5.417 1.00 0.00 H new ATOM 0 HD13 LEU C 48 21.489 31.236 -6.790 1.00 0.00 H new ATOM 0 HD21 LEU C 48 21.677 28.631 -8.404 1.00 0.00 H new ATOM 0 HD22 LEU C 48 23.018 29.765 -8.113 1.00 0.00 H new ATOM 0 HD23 LEU C 48 23.195 28.048 -7.681 1.00 0.00 H new ATOM 650 N THR C 49 25.546 28.191 -3.424 1.00 0.00 N ATOM 651 CA THR C 49 26.723 28.556 -2.588 1.00 0.00 C ATOM 652 C THR C 49 28.011 28.273 -3.365 1.00 0.00 C ATOM 653 O THR C 49 28.480 29.095 -4.125 1.00 0.00 O ATOM 654 CB THR C 49 26.707 27.732 -1.298 1.00 0.00 C ATOM 655 OG1 THR C 49 25.668 28.201 -0.450 1.00 0.00 O ATOM 656 CG2 THR C 49 28.053 27.871 -0.584 1.00 0.00 C ATOM 0 H THR C 49 24.954 27.453 -3.043 1.00 0.00 H new ATOM 0 HA THR C 49 26.678 29.617 -2.340 1.00 0.00 H new ATOM 0 HB THR C 49 26.533 26.683 -1.539 1.00 0.00 H new ATOM 0 HG1 THR C 49 25.656 27.673 0.375 1.00 0.00 H new ATOM 0 HG21 THR C 49 28.040 27.284 0.334 1.00 0.00 H new ATOM 0 HG22 THR C 49 28.849 27.509 -1.235 1.00 0.00 H new ATOM 0 HG23 THR C 49 28.230 28.919 -0.342 1.00 0.00 H new ATOM 664 N THR C 50 28.586 27.114 -3.182 1.00 0.00 N ATOM 665 CA THR C 50 29.842 26.784 -3.914 1.00 0.00 C ATOM 666 C THR C 50 29.497 26.111 -5.244 1.00 0.00 C ATOM 667 O THR C 50 30.348 25.550 -5.906 1.00 0.00 O ATOM 668 CB THR C 50 30.689 25.833 -3.064 1.00 0.00 C ATOM 669 OG1 THR C 50 31.957 25.653 -3.680 1.00 0.00 O ATOM 670 CG2 THR C 50 29.981 24.483 -2.947 1.00 0.00 C ATOM 0 H THR C 50 28.241 26.384 -2.559 1.00 0.00 H new ATOM 0 HA THR C 50 30.403 27.699 -4.107 1.00 0.00 H new ATOM 0 HB THR C 50 30.824 26.257 -2.069 1.00 0.00 H new ATOM 0 HG1 THR C 50 31.838 25.539 -4.646 1.00 0.00 H new ATOM 0 HG21 THR C 50 30.585 23.807 -2.342 1.00 0.00 H new ATOM 0 HG22 THR C 50 29.008 24.622 -2.475 1.00 0.00 H new ATOM 0 HG23 THR C 50 29.844 24.056 -3.941 1.00 0.00 H new ATOM 678 N GLY C 51 28.255 26.163 -5.642 1.00 0.00 N ATOM 679 CA GLY C 51 27.859 25.525 -6.930 1.00 0.00 C ATOM 680 C GLY C 51 27.981 24.006 -6.804 1.00 0.00 C ATOM 681 O GLY C 51 28.929 23.409 -7.274 1.00 0.00 O ATOM 0 H GLY C 51 27.498 26.619 -5.132 1.00 0.00 H new ATOM 0 HA2 GLY C 51 26.835 25.799 -7.184 1.00 0.00 H new ATOM 0 HA3 GLY C 51 28.495 25.886 -7.738 1.00 0.00 H new ATOM 685 N GLN C 52 27.030 23.376 -6.172 1.00 0.00 N ATOM 686 CA GLN C 52 27.093 21.895 -6.017 1.00 0.00 C ATOM 687 C GLN C 52 25.807 21.268 -6.558 1.00 0.00 C ATOM 688 O GLN C 52 24.782 21.913 -6.653 1.00 0.00 O ATOM 689 CB GLN C 52 27.246 21.544 -4.535 1.00 0.00 C ATOM 690 CG GLN C 52 28.701 21.748 -4.108 1.00 0.00 C ATOM 691 CD GLN C 52 29.401 20.390 -4.017 1.00 0.00 C ATOM 692 OE1 GLN C 52 29.537 19.835 -2.944 1.00 0.00 O ATOM 693 NE2 GLN C 52 29.853 19.828 -5.104 1.00 0.00 N ATOM 0 H GLN C 52 26.212 23.822 -5.756 1.00 0.00 H new ATOM 0 HA GLN C 52 27.947 21.509 -6.574 1.00 0.00 H new ATOM 0 HB2 GLN C 52 26.588 22.170 -3.933 1.00 0.00 H new ATOM 0 HB3 GLN C 52 26.947 20.510 -4.363 1.00 0.00 H new ATOM 0 HG2 GLN C 52 29.216 22.387 -4.826 1.00 0.00 H new ATOM 0 HG3 GLN C 52 28.741 22.255 -3.144 1.00 0.00 H new ATOM 0 HE21 GLN C 52 29.739 20.294 -6.004 1.00 0.00 H new ATOM 0 HE22 GLN C 52 30.321 18.923 -5.054 1.00 0.00 H new ATOM 702 N THR C 53 25.853 20.013 -6.913 1.00 0.00 N ATOM 703 CA THR C 53 24.636 19.341 -7.448 1.00 0.00 C ATOM 704 C THR C 53 24.304 18.131 -6.564 1.00 0.00 C ATOM 705 O THR C 53 25.140 17.636 -5.835 1.00 0.00 O ATOM 706 CB THR C 53 24.898 18.918 -8.913 1.00 0.00 C ATOM 707 OG1 THR C 53 23.960 19.567 -9.762 1.00 0.00 O ATOM 708 CG2 THR C 53 24.768 17.397 -9.091 1.00 0.00 C ATOM 0 H THR C 53 26.683 19.423 -6.855 1.00 0.00 H new ATOM 0 HA THR C 53 23.782 20.018 -7.435 1.00 0.00 H new ATOM 0 HB THR C 53 25.916 19.208 -9.174 1.00 0.00 H new ATOM 0 HG1 THR C 53 24.123 19.303 -10.692 1.00 0.00 H new ATOM 0 HG21 THR C 53 24.958 17.135 -10.132 1.00 0.00 H new ATOM 0 HG22 THR C 53 25.492 16.893 -8.451 1.00 0.00 H new ATOM 0 HG23 THR C 53 23.761 17.083 -8.816 1.00 0.00 H new ATOM 716 N GLY C 54 23.091 17.654 -6.623 1.00 0.00 N ATOM 717 CA GLY C 54 22.717 16.481 -5.785 1.00 0.00 C ATOM 718 C GLY C 54 21.220 16.196 -5.929 1.00 0.00 C ATOM 719 O GLY C 54 20.389 17.052 -5.698 1.00 0.00 O ATOM 0 H GLY C 54 22.346 18.024 -7.213 1.00 0.00 H new ATOM 0 HA2 GLY C 54 23.294 15.607 -6.089 1.00 0.00 H new ATOM 0 HA3 GLY C 54 22.960 16.676 -4.741 1.00 0.00 H new ATOM 723 N TYR C 55 20.873 14.999 -6.313 1.00 0.00 N ATOM 724 CA TYR C 55 19.437 14.648 -6.474 1.00 0.00 C ATOM 725 C TYR C 55 18.692 14.903 -5.160 1.00 0.00 C ATOM 726 O TYR C 55 18.803 14.146 -4.216 1.00 0.00 O ATOM 727 CB TYR C 55 19.322 13.170 -6.845 1.00 0.00 C ATOM 728 CG TYR C 55 20.224 12.868 -8.043 1.00 0.00 C ATOM 729 CD1 TYR C 55 19.910 13.353 -9.297 1.00 0.00 C ATOM 730 CD2 TYR C 55 21.362 12.101 -7.890 1.00 0.00 C ATOM 731 CE1 TYR C 55 20.719 13.075 -10.379 1.00 0.00 C ATOM 732 CE2 TYR C 55 22.170 11.824 -8.972 1.00 0.00 C ATOM 733 CZ TYR C 55 21.856 12.309 -10.226 1.00 0.00 C ATOM 734 OH TYR C 55 22.666 12.033 -11.308 1.00 0.00 O ATOM 0 H TYR C 55 21.528 14.245 -6.523 1.00 0.00 H new ATOM 0 HA TYR C 55 18.998 15.262 -7.260 1.00 0.00 H new ATOM 0 HB2 TYR C 55 19.608 12.549 -5.996 1.00 0.00 H new ATOM 0 HB3 TYR C 55 18.287 12.925 -7.085 1.00 0.00 H new ATOM 0 HD1 TYR C 55 19.024 13.955 -9.432 1.00 0.00 H new ATOM 0 HD2 TYR C 55 21.621 11.715 -6.915 1.00 0.00 H new ATOM 0 HE1 TYR C 55 20.460 13.460 -11.354 1.00 0.00 H new ATOM 0 HE2 TYR C 55 23.057 11.222 -8.838 1.00 0.00 H new ATOM 0 HH TYR C 55 23.423 11.482 -11.018 1.00 0.00 H new ATOM 744 N ILE C 56 17.935 15.963 -5.092 1.00 0.00 N ATOM 745 CA ILE C 56 17.183 16.265 -3.840 1.00 0.00 C ATOM 746 C ILE C 56 15.811 15.584 -3.898 1.00 0.00 C ATOM 747 O ILE C 56 15.242 15.435 -4.962 1.00 0.00 O ATOM 748 CB ILE C 56 16.995 17.776 -3.709 1.00 0.00 C ATOM 749 CG1 ILE C 56 16.271 18.311 -4.946 1.00 0.00 C ATOM 750 CG2 ILE C 56 18.363 18.451 -3.589 1.00 0.00 C ATOM 751 CD1 ILE C 56 15.323 19.439 -4.535 1.00 0.00 C ATOM 0 H ILE C 56 17.804 16.634 -5.849 1.00 0.00 H new ATOM 0 HA ILE C 56 17.741 15.894 -2.980 1.00 0.00 H new ATOM 0 HB ILE C 56 16.402 17.992 -2.820 1.00 0.00 H new ATOM 0 HG12 ILE C 56 16.995 18.677 -5.674 1.00 0.00 H new ATOM 0 HG13 ILE C 56 15.712 17.509 -5.428 1.00 0.00 H new ATOM 0 HG21 ILE C 56 18.230 19.529 -3.496 1.00 0.00 H new ATOM 0 HG22 ILE C 56 18.880 18.071 -2.708 1.00 0.00 H new ATOM 0 HG23 ILE C 56 18.955 18.234 -4.478 1.00 0.00 H new ATOM 0 HD11 ILE C 56 14.807 19.820 -5.416 1.00 0.00 H new ATOM 0 HD12 ILE C 56 14.591 19.058 -3.823 1.00 0.00 H new ATOM 0 HD13 ILE C 56 15.894 20.244 -4.073 1.00 0.00 H new ATOM 763 N PRO C 57 15.322 15.188 -2.750 1.00 0.00 N ATOM 764 CA PRO C 57 14.014 14.519 -2.645 1.00 0.00 C ATOM 765 C PRO C 57 12.903 15.447 -3.143 1.00 0.00 C ATOM 766 O PRO C 57 12.977 16.651 -3.004 1.00 0.00 O ATOM 767 CB PRO C 57 13.842 14.221 -1.149 1.00 0.00 C ATOM 768 CG PRO C 57 15.105 14.747 -0.417 1.00 0.00 C ATOM 769 CD PRO C 57 16.029 15.376 -1.471 1.00 0.00 C ATOM 0 HA PRO C 57 13.961 13.613 -3.249 1.00 0.00 H new ATOM 0 HB2 PRO C 57 12.946 14.706 -0.763 1.00 0.00 H new ATOM 0 HB3 PRO C 57 13.722 13.150 -0.983 1.00 0.00 H new ATOM 0 HG2 PRO C 57 14.830 15.483 0.339 1.00 0.00 H new ATOM 0 HG3 PRO C 57 15.613 13.934 0.101 1.00 0.00 H new ATOM 0 HD2 PRO C 57 16.202 16.432 -1.266 1.00 0.00 H new ATOM 0 HD3 PRO C 57 17.005 14.890 -1.483 1.00 0.00 H new ATOM 777 N SER C 58 11.872 14.895 -3.725 1.00 0.00 N ATOM 778 CA SER C 58 10.759 15.744 -4.231 1.00 0.00 C ATOM 779 C SER C 58 9.756 16.007 -3.104 1.00 0.00 C ATOM 780 O SER C 58 9.052 16.996 -3.106 1.00 0.00 O ATOM 781 CB SER C 58 10.060 15.023 -5.389 1.00 0.00 C ATOM 782 OG SER C 58 8.759 14.616 -4.989 1.00 0.00 O ATOM 0 H SER C 58 11.754 13.892 -3.871 1.00 0.00 H new ATOM 0 HA SER C 58 11.157 16.696 -4.582 1.00 0.00 H new ATOM 0 HB2 SER C 58 9.994 15.683 -6.254 1.00 0.00 H new ATOM 0 HB3 SER C 58 10.644 14.155 -5.694 1.00 0.00 H new ATOM 0 HG SER C 58 8.316 14.157 -5.733 1.00 0.00 H new ATOM 788 N ASN C 59 9.687 15.130 -2.140 1.00 0.00 N ATOM 789 CA ASN C 59 8.730 15.334 -1.016 1.00 0.00 C ATOM 790 C ASN C 59 9.413 16.123 0.104 1.00 0.00 C ATOM 791 O ASN C 59 9.008 16.068 1.249 1.00 0.00 O ATOM 792 CB ASN C 59 8.279 13.974 -0.478 1.00 0.00 C ATOM 793 CG ASN C 59 6.782 14.023 -0.161 1.00 0.00 C ATOM 794 OD1 ASN C 59 5.972 14.261 -1.035 1.00 0.00 O ATOM 795 ND2 ASN C 59 6.380 13.805 1.061 1.00 0.00 N ATOM 0 H ASN C 59 10.251 14.282 -2.082 1.00 0.00 H new ATOM 0 HA ASN C 59 7.864 15.890 -1.375 1.00 0.00 H new ATOM 0 HB2 ASN C 59 8.481 13.195 -1.213 1.00 0.00 H new ATOM 0 HB3 ASN C 59 8.844 13.720 0.419 1.00 0.00 H new ATOM 0 HD21 ASN C 59 5.385 13.834 1.283 1.00 0.00 H new ATOM 0 HD22 ASN C 59 7.061 13.605 1.794 1.00 0.00 H new ATOM 802 N TYR C 60 10.445 16.856 -0.213 1.00 0.00 N ATOM 803 CA TYR C 60 11.148 17.644 0.839 1.00 0.00 C ATOM 804 C TYR C 60 11.336 19.088 0.368 1.00 0.00 C ATOM 805 O TYR C 60 11.860 19.919 1.085 1.00 0.00 O ATOM 806 CB TYR C 60 12.514 17.016 1.118 1.00 0.00 C ATOM 807 CG TYR C 60 12.364 15.914 2.168 1.00 0.00 C ATOM 808 CD1 TYR C 60 11.612 14.788 1.898 1.00 0.00 C ATOM 809 CD2 TYR C 60 12.975 16.030 3.400 1.00 0.00 C ATOM 810 CE1 TYR C 60 11.474 13.795 2.845 1.00 0.00 C ATOM 811 CE2 TYR C 60 12.836 15.036 4.347 1.00 0.00 C ATOM 812 CZ TYR C 60 12.085 13.911 4.077 1.00 0.00 C ATOM 813 OH TYR C 60 11.944 12.917 5.024 1.00 0.00 O ATOM 0 H TYR C 60 10.831 16.943 -1.153 1.00 0.00 H new ATOM 0 HA TYR C 60 10.551 17.639 1.751 1.00 0.00 H new ATOM 0 HB2 TYR C 60 12.931 16.603 0.199 1.00 0.00 H new ATOM 0 HB3 TYR C 60 13.211 17.777 1.471 1.00 0.00 H new ATOM 0 HD1 TYR C 60 11.128 14.684 0.938 1.00 0.00 H new ATOM 0 HD2 TYR C 60 13.566 16.905 3.625 1.00 0.00 H new ATOM 0 HE1 TYR C 60 10.883 12.919 2.621 1.00 0.00 H new ATOM 0 HE2 TYR C 60 13.319 15.140 5.307 1.00 0.00 H new ATOM 0 HH TYR C 60 10.993 12.714 5.146 1.00 0.00 H new ATOM 823 N VAL C 61 10.915 19.395 -0.830 1.00 0.00 N ATOM 824 CA VAL C 61 11.072 20.787 -1.341 1.00 0.00 C ATOM 825 C VAL C 61 9.765 21.247 -1.987 1.00 0.00 C ATOM 826 O VAL C 61 8.873 20.463 -2.245 1.00 0.00 O ATOM 827 CB VAL C 61 12.205 20.824 -2.376 1.00 0.00 C ATOM 828 CG1 VAL C 61 12.110 19.596 -3.281 1.00 0.00 C ATOM 829 CG2 VAL C 61 12.105 22.093 -3.229 1.00 0.00 C ATOM 0 H VAL C 61 10.470 18.743 -1.476 1.00 0.00 H new ATOM 0 HA VAL C 61 11.316 21.454 -0.514 1.00 0.00 H new ATOM 0 HB VAL C 61 13.161 20.823 -1.852 1.00 0.00 H new ATOM 0 HG11 VAL C 61 12.915 19.622 -4.016 1.00 0.00 H new ATOM 0 HG12 VAL C 61 12.199 18.692 -2.678 1.00 0.00 H new ATOM 0 HG13 VAL C 61 11.149 19.596 -3.795 1.00 0.00 H new ATOM 0 HG21 VAL C 61 12.915 22.106 -3.959 1.00 0.00 H new ATOM 0 HG22 VAL C 61 11.147 22.107 -3.749 1.00 0.00 H new ATOM 0 HG23 VAL C 61 12.182 22.970 -2.587 1.00 0.00 H new ATOM 839 N ALA C 62 9.652 22.518 -2.249 1.00 0.00 N ATOM 840 CA ALA C 62 8.409 23.047 -2.877 1.00 0.00 C ATOM 841 C ALA C 62 8.710 24.398 -3.536 1.00 0.00 C ATOM 842 O ALA C 62 9.509 25.164 -3.033 1.00 0.00 O ATOM 843 CB ALA C 62 7.332 23.229 -1.807 1.00 0.00 C ATOM 0 H ALA C 62 10.369 23.217 -2.055 1.00 0.00 H new ATOM 0 HA ALA C 62 8.053 22.344 -3.630 1.00 0.00 H new ATOM 0 HB1 ALA C 62 6.423 23.616 -2.268 1.00 0.00 H new ATOM 0 HB2 ALA C 62 7.120 22.269 -1.337 1.00 0.00 H new ATOM 0 HB3 ALA C 62 7.684 23.932 -1.052 1.00 0.00 H new ATOM 849 N PRO C 63 8.059 24.652 -4.644 1.00 0.00 N ATOM 850 CA PRO C 63 8.244 25.910 -5.390 1.00 0.00 C ATOM 851 C PRO C 63 7.833 27.103 -4.523 1.00 0.00 C ATOM 852 O PRO C 63 6.669 27.303 -4.235 1.00 0.00 O ATOM 853 CB PRO C 63 7.320 25.785 -6.609 1.00 0.00 C ATOM 854 CG PRO C 63 6.592 24.418 -6.509 1.00 0.00 C ATOM 855 CD PRO C 63 7.093 23.711 -5.240 1.00 0.00 C ATOM 0 HA PRO C 63 9.282 26.072 -5.680 1.00 0.00 H new ATOM 0 HB2 PRO C 63 6.599 26.602 -6.628 1.00 0.00 H new ATOM 0 HB3 PRO C 63 7.895 25.846 -7.533 1.00 0.00 H new ATOM 0 HG2 PRO C 63 5.513 24.562 -6.465 1.00 0.00 H new ATOM 0 HG3 PRO C 63 6.797 23.811 -7.391 1.00 0.00 H new ATOM 0 HD2 PRO C 63 6.272 23.499 -4.555 1.00 0.00 H new ATOM 0 HD3 PRO C 63 7.564 22.757 -5.478 1.00 0.00 H new ATOM 863 N SER C 64 8.780 27.899 -4.104 1.00 0.00 N ATOM 864 CA SER C 64 8.442 29.078 -3.258 1.00 0.00 C ATOM 865 C SER C 64 9.686 29.949 -3.076 1.00 0.00 C ATOM 866 O SER C 64 10.168 30.473 -4.066 1.00 0.00 O ATOM 867 CB SER C 64 7.949 28.597 -1.890 1.00 0.00 C ATOM 868 OG SER C 64 9.024 27.993 -1.186 1.00 0.00 O ATOM 869 OXT SER C 64 10.136 30.077 -1.948 1.00 0.00 O ATOM 0 H SER C 64 9.772 27.783 -4.311 1.00 0.00 H new ATOM 0 HA SER C 64 7.659 29.662 -3.742 1.00 0.00 H new ATOM 0 HB2 SER C 64 7.552 29.436 -1.319 1.00 0.00 H new ATOM 0 HB3 SER C 64 7.135 27.883 -2.015 1.00 0.00 H new ATOM 0 HG SER C 64 8.710 27.686 -0.310 1.00 0.00 H new TER 875 SER C 64 ATOM 876 N ALA A 71 9.791 18.284 14.573 1.00 0.00 N ATOM 877 CA ALA A 71 10.726 17.959 13.459 1.00 0.00 C ATOM 878 C ALA A 71 10.419 16.557 12.929 1.00 0.00 C ATOM 879 O ALA A 71 11.301 15.733 12.783 1.00 0.00 O ATOM 880 CB ALA A 71 12.166 18.008 13.972 1.00 0.00 C ATOM 0 HA ALA A 71 10.602 18.685 12.656 1.00 0.00 H new ATOM 0 HB1 ALA A 71 12.851 17.770 13.158 1.00 0.00 H new ATOM 0 HB2 ALA A 71 12.384 19.007 14.349 1.00 0.00 H new ATOM 0 HB3 ALA A 71 12.291 17.282 14.775 1.00 0.00 H new ATOM 888 N PHE A 72 9.178 16.280 12.642 1.00 0.00 N ATOM 889 CA PHE A 72 8.816 14.930 12.122 1.00 0.00 C ATOM 890 C PHE A 72 8.656 14.997 10.602 1.00 0.00 C ATOM 891 O PHE A 72 7.606 15.342 10.094 1.00 0.00 O ATOM 892 CB PHE A 72 7.500 14.478 12.756 1.00 0.00 C ATOM 893 CG PHE A 72 7.152 13.072 12.261 1.00 0.00 C ATOM 894 CD1 PHE A 72 8.137 12.110 12.131 1.00 0.00 C ATOM 895 CD2 PHE A 72 5.846 12.747 11.940 1.00 0.00 C ATOM 896 CE1 PHE A 72 7.821 10.842 11.686 1.00 0.00 C ATOM 897 CE2 PHE A 72 5.531 11.478 11.495 1.00 0.00 C ATOM 898 CZ PHE A 72 6.518 10.527 11.369 1.00 0.00 C ATOM 0 H PHE A 72 8.398 16.929 12.745 1.00 0.00 H new ATOM 0 HA PHE A 72 9.603 14.218 12.373 1.00 0.00 H new ATOM 0 HB2 PHE A 72 7.587 14.481 13.842 1.00 0.00 H new ATOM 0 HB3 PHE A 72 6.702 15.174 12.498 1.00 0.00 H new ATOM 0 HD1 PHE A 72 9.160 12.352 12.379 1.00 0.00 H new ATOM 0 HD2 PHE A 72 5.068 13.490 12.038 1.00 0.00 H new ATOM 0 HE1 PHE A 72 8.596 10.096 11.586 1.00 0.00 H new ATOM 0 HE2 PHE A 72 4.509 11.232 11.246 1.00 0.00 H new ATOM 0 HZ PHE A 72 6.271 9.535 11.022 1.00 0.00 H new ATOM 908 N ALA A 73 9.686 14.672 9.870 1.00 0.00 N ATOM 909 CA ALA A 73 9.589 14.718 8.384 1.00 0.00 C ATOM 910 C ALA A 73 8.990 13.403 7.871 1.00 0.00 C ATOM 911 O ALA A 73 9.228 12.354 8.436 1.00 0.00 O ATOM 912 CB ALA A 73 10.984 14.908 7.787 1.00 0.00 C ATOM 0 H ALA A 73 10.591 14.377 10.237 1.00 0.00 H new ATOM 0 HA ALA A 73 8.950 15.550 8.087 1.00 0.00 H new ATOM 0 HB1 ALA A 73 10.913 14.942 6.700 1.00 0.00 H new ATOM 0 HB2 ALA A 73 11.412 15.842 8.152 1.00 0.00 H new ATOM 0 HB3 ALA A 73 11.623 14.076 8.083 1.00 0.00 H new ATOM 918 N PRO A 74 8.226 13.500 6.810 1.00 0.00 N ATOM 919 CA PRO A 74 7.579 12.326 6.201 1.00 0.00 C ATOM 920 C PRO A 74 8.640 11.329 5.716 1.00 0.00 C ATOM 921 O PRO A 74 9.717 11.723 5.312 1.00 0.00 O ATOM 922 CB PRO A 74 6.782 12.886 5.014 1.00 0.00 C ATOM 923 CG PRO A 74 7.011 14.419 4.976 1.00 0.00 C ATOM 924 CD PRO A 74 7.946 14.783 6.139 1.00 0.00 C ATOM 0 HA PRO A 74 6.941 11.792 6.905 1.00 0.00 H new ATOM 0 HB2 PRO A 74 7.110 12.427 4.082 1.00 0.00 H new ATOM 0 HB3 PRO A 74 5.721 12.660 5.124 1.00 0.00 H new ATOM 0 HG2 PRO A 74 7.452 14.716 4.024 1.00 0.00 H new ATOM 0 HG3 PRO A 74 6.063 14.949 5.068 1.00 0.00 H new ATOM 0 HD2 PRO A 74 8.863 15.250 5.779 1.00 0.00 H new ATOM 0 HD3 PRO A 74 7.474 15.491 6.820 1.00 0.00 H new ATOM 932 N PRO A 75 8.302 10.066 5.773 1.00 0.00 N ATOM 933 CA PRO A 75 9.212 8.990 5.343 1.00 0.00 C ATOM 934 C PRO A 75 9.559 9.153 3.860 1.00 0.00 C ATOM 935 O PRO A 75 8.690 9.263 3.018 1.00 0.00 O ATOM 936 CB PRO A 75 8.426 7.692 5.573 1.00 0.00 C ATOM 937 CG PRO A 75 7.039 8.078 6.153 1.00 0.00 C ATOM 938 CD PRO A 75 6.989 9.610 6.266 1.00 0.00 C ATOM 0 HA PRO A 75 10.154 8.999 5.892 1.00 0.00 H new ATOM 0 HB2 PRO A 75 8.311 7.144 4.638 1.00 0.00 H new ATOM 0 HB3 PRO A 75 8.960 7.038 6.262 1.00 0.00 H new ATOM 0 HG2 PRO A 75 6.240 7.716 5.506 1.00 0.00 H new ATOM 0 HG3 PRO A 75 6.891 7.618 7.130 1.00 0.00 H new ATOM 0 HD2 PRO A 75 6.176 10.025 5.669 1.00 0.00 H new ATOM 0 HD3 PRO A 75 6.821 9.926 7.296 1.00 0.00 H new ATOM 946 N LEU A 76 10.823 9.171 3.534 1.00 0.00 N ATOM 947 CA LEU A 76 11.219 9.328 2.106 1.00 0.00 C ATOM 948 C LEU A 76 10.653 8.157 1.291 1.00 0.00 C ATOM 949 O LEU A 76 10.757 7.018 1.700 1.00 0.00 O ATOM 950 CB LEU A 76 12.745 9.331 2.000 1.00 0.00 C ATOM 951 CG LEU A 76 13.253 10.775 1.974 1.00 0.00 C ATOM 952 CD1 LEU A 76 14.580 10.862 2.730 1.00 0.00 C ATOM 953 CD2 LEU A 76 13.462 11.216 0.524 1.00 0.00 C ATOM 0 H LEU A 76 11.597 9.084 4.193 1.00 0.00 H new ATOM 0 HA LEU A 76 10.825 10.267 1.718 1.00 0.00 H new ATOM 0 HB2 LEU A 76 13.180 8.797 2.845 1.00 0.00 H new ATOM 0 HB3 LEU A 76 13.058 8.808 1.097 1.00 0.00 H new ATOM 0 HG LEU A 76 12.520 11.427 2.450 1.00 0.00 H new ATOM 0 HD11 LEU A 76 14.942 11.890 2.712 1.00 0.00 H new ATOM 0 HD12 LEU A 76 14.431 10.548 3.763 1.00 0.00 H new ATOM 0 HD13 LEU A 76 15.313 10.210 2.254 1.00 0.00 H new ATOM 0 HD21 LEU A 76 13.824 12.244 0.505 1.00 0.00 H new ATOM 0 HD22 LEU A 76 14.195 10.565 0.048 1.00 0.00 H new ATOM 0 HD23 LEU A 76 12.517 11.154 -0.015 1.00 0.00 H new ATOM 965 N PRO A 77 10.068 8.469 0.158 1.00 0.00 N ATOM 966 CA PRO A 77 9.480 7.446 -0.725 1.00 0.00 C ATOM 967 C PRO A 77 10.566 6.489 -1.224 1.00 0.00 C ATOM 968 O PRO A 77 11.691 6.517 -0.764 1.00 0.00 O ATOM 969 CB PRO A 77 8.880 8.235 -1.897 1.00 0.00 C ATOM 970 CG PRO A 77 9.183 9.736 -1.658 1.00 0.00 C ATOM 971 CD PRO A 77 9.944 9.854 -0.328 1.00 0.00 C ATOM 0 HA PRO A 77 8.733 6.839 -0.214 1.00 0.00 H new ATOM 0 HB2 PRO A 77 9.311 7.903 -2.842 1.00 0.00 H new ATOM 0 HB3 PRO A 77 7.805 8.067 -1.961 1.00 0.00 H new ATOM 0 HG2 PRO A 77 9.778 10.141 -2.476 1.00 0.00 H new ATOM 0 HG3 PRO A 77 8.258 10.312 -1.622 1.00 0.00 H new ATOM 0 HD2 PRO A 77 10.923 10.312 -0.471 1.00 0.00 H new ATOM 0 HD3 PRO A 77 9.402 10.476 0.384 1.00 0.00 H new ATOM 979 N ARG A 78 10.238 5.642 -2.160 1.00 0.00 N ATOM 980 CA ARG A 78 11.251 4.685 -2.687 1.00 0.00 C ATOM 981 C ARG A 78 11.842 5.235 -3.985 1.00 0.00 C ATOM 982 O ARG A 78 11.155 5.841 -4.783 1.00 0.00 O ATOM 983 CB ARG A 78 10.585 3.335 -2.962 1.00 0.00 C ATOM 984 CG ARG A 78 11.659 2.252 -3.090 1.00 0.00 C ATOM 985 CD ARG A 78 11.124 0.935 -2.528 1.00 0.00 C ATOM 986 NE ARG A 78 10.209 0.305 -3.522 1.00 0.00 N ATOM 987 CZ ARG A 78 10.698 -0.324 -4.557 1.00 0.00 C ATOM 988 NH1 ARG A 78 11.990 -0.405 -4.728 1.00 0.00 N ATOM 989 NH2 ARG A 78 9.891 -0.874 -5.424 1.00 0.00 N ATOM 0 H ARG A 78 9.312 5.571 -2.583 1.00 0.00 H new ATOM 0 HA ARG A 78 12.045 4.554 -1.951 1.00 0.00 H new ATOM 0 HB2 ARG A 78 9.897 3.086 -2.154 1.00 0.00 H new ATOM 0 HB3 ARG A 78 9.996 3.388 -3.878 1.00 0.00 H new ATOM 0 HG2 ARG A 78 11.941 2.126 -4.135 1.00 0.00 H new ATOM 0 HG3 ARG A 78 12.558 2.551 -2.551 1.00 0.00 H new ATOM 0 HD2 ARG A 78 11.951 0.262 -2.301 1.00 0.00 H new ATOM 0 HD3 ARG A 78 10.594 1.115 -1.593 1.00 0.00 H new ATOM 0 HE ARG A 78 9.199 0.365 -3.394 1.00 0.00 H new ATOM 0 HH11 ARG A 78 12.622 0.024 -4.052 1.00 0.00 H new ATOM 0 HH12 ARG A 78 12.367 -0.897 -5.538 1.00 0.00 H new ATOM 0 HH21 ARG A 78 8.881 -0.812 -5.292 1.00 0.00 H new ATOM 0 HH22 ARG A 78 10.270 -1.366 -6.233 1.00 0.00 H new ATOM 1003 N ARG A 79 13.112 5.032 -4.205 1.00 0.00 N ATOM 1004 CA ARG A 79 13.743 5.545 -5.453 1.00 0.00 C ATOM 1005 C ARG A 79 14.599 4.443 -6.083 1.00 0.00 C ATOM 1006 O ARG A 79 14.833 3.449 -5.416 1.00 0.00 O ATOM 1007 CB ARG A 79 14.628 6.748 -5.119 1.00 0.00 C ATOM 1008 CG ARG A 79 15.865 6.275 -4.355 1.00 0.00 C ATOM 1009 CD ARG A 79 16.797 7.464 -4.109 1.00 0.00 C ATOM 1010 NE ARG A 79 18.022 6.998 -3.401 1.00 0.00 N ATOM 1011 CZ ARG A 79 19.085 7.755 -3.360 1.00 0.00 C ATOM 1012 NH1 ARG A 79 19.080 8.925 -3.939 1.00 0.00 N ATOM 1013 NH2 ARG A 79 20.156 7.343 -2.739 1.00 0.00 N ATOM 1014 OXT ARG A 79 15.004 4.614 -7.221 1.00 0.00 O ATOM 0 H ARG A 79 13.740 4.533 -3.574 1.00 0.00 H new ATOM 0 HA ARG A 79 12.966 5.848 -6.155 1.00 0.00 H new ATOM 0 HB2 ARG A 79 14.926 7.259 -6.035 1.00 0.00 H new ATOM 0 HB3 ARG A 79 14.071 7.468 -4.520 1.00 0.00 H new ATOM 0 HG2 ARG A 79 15.570 5.827 -3.406 1.00 0.00 H new ATOM 0 HG3 ARG A 79 16.384 5.504 -4.924 1.00 0.00 H new ATOM 0 HD2 ARG A 79 17.067 7.930 -5.057 1.00 0.00 H new ATOM 0 HD3 ARG A 79 16.287 8.222 -3.515 1.00 0.00 H new ATOM 0 HE ARG A 79 18.030 6.085 -2.947 1.00 0.00 H new ATOM 0 HH11 ARG A 79 18.244 9.250 -4.425 1.00 0.00 H new ATOM 0 HH12 ARG A 79 19.912 9.514 -3.905 1.00 0.00 H new ATOM 0 HH21 ARG A 79 20.163 6.429 -2.285 1.00 0.00 H new ATOM 0 HH22 ARG A 79 20.986 7.935 -2.707 1.00 0.00 H new TER 1028 ARG A 79