USER MOD reduce.3.24.130724 H: found=0, std=0, add=498, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 500 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 33 GLN : amide:sc= -5.15! C(o=-12!,f=-14!) USER MOD Set 1.2: C 46 HIS :FLIP no HE2:sc= -6.66! C(o=-15!,f=-12!) USER MOD Set 2.1: C 20 THR OG1 : rot 180:sc= -0.233 USER MOD Set 2.2: C 22 THR OG1 : rot 180:sc=0.000212 USER MOD Set 3.1: C 16 TYR OH : rot -117:sc= 1.06 USER MOD Set 3.2: C 18 SER OG : rot 50:sc= -1.29! USER MOD Single : C 9 THR OG1 : rot 8:sc= 0.831 USER MOD Single : C 14 TYR OH : rot 180:sc= 0 USER MOD Single : C 25 SER OG : rot 180:sc= 0.0296 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 36 ASN :FLIP amide:sc= -0.784 F(o=-1.3,f=-0.78) USER MOD Single : C 37 ASN : amide:sc= -0.119 K(o=-0.12,f=-2.9) USER MOD Single : C 38 THR OG1 : rot 180:sc= 0 USER MOD Single : C 47 SER OG : rot 180:sc= 0 USER MOD Single : C 49 THR OG1 : rot 180:sc=7.32e-05 USER MOD Single : C 50 THR OG1 : rot 180:sc=-0.00322 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 147:sc= -1.64! USER MOD Single : C 59 ASN : amide:sc= -2.19! C(o=-2.2!,f=-3.6!) USER MOD Single : C 60 TYR OH : rot 79:sc= 0.764 USER MOD Single : C 64 SER OG : rot 180:sc= -0.0413 USER MOD ----------------------------------------------------------------- ATOM 1 N THR C 9 13.804 29.568 -8.080 1.00 0.00 N ATOM 2 CA THR C 9 14.578 28.837 -7.038 1.00 0.00 C ATOM 3 C THR C 9 13.610 28.157 -6.067 1.00 0.00 C ATOM 4 O THR C 9 12.653 28.751 -5.612 1.00 0.00 O ATOM 5 CB THR C 9 15.460 29.823 -6.270 1.00 0.00 C ATOM 6 OG1 THR C 9 15.281 31.129 -6.800 1.00 0.00 O ATOM 7 CG2 THR C 9 16.928 29.413 -6.404 1.00 0.00 C ATOM 0 HA THR C 9 15.205 28.084 -7.514 1.00 0.00 H new ATOM 0 HB THR C 9 15.179 29.816 -5.217 1.00 0.00 H new ATOM 0 HG1 THR C 9 14.540 31.123 -7.442 1.00 0.00 H new ATOM 0 HG21 THR C 9 17.554 30.117 -5.856 1.00 0.00 H new ATOM 0 HG22 THR C 9 17.065 28.412 -5.996 1.00 0.00 H new ATOM 0 HG23 THR C 9 17.212 29.418 -7.456 1.00 0.00 H new ATOM 14 N PHE C 10 13.851 26.914 -5.749 1.00 0.00 N ATOM 15 CA PHE C 10 12.944 26.197 -4.808 1.00 0.00 C ATOM 16 C PHE C 10 13.445 26.385 -3.375 1.00 0.00 C ATOM 17 O PHE C 10 14.570 26.784 -3.148 1.00 0.00 O ATOM 18 CB PHE C 10 12.931 24.707 -5.150 1.00 0.00 C ATOM 19 CG PHE C 10 11.803 24.419 -6.144 1.00 0.00 C ATOM 20 CD1 PHE C 10 11.530 25.305 -7.170 1.00 0.00 C ATOM 21 CD2 PHE C 10 11.045 23.268 -6.029 1.00 0.00 C ATOM 22 CE1 PHE C 10 10.514 25.045 -8.067 1.00 0.00 C ATOM 23 CE2 PHE C 10 10.029 23.008 -6.927 1.00 0.00 C ATOM 24 CZ PHE C 10 9.764 23.896 -7.945 1.00 0.00 C ATOM 0 H PHE C 10 14.636 26.365 -6.100 1.00 0.00 H new ATOM 0 HA PHE C 10 11.935 26.600 -4.897 1.00 0.00 H new ATOM 0 HB2 PHE C 10 13.890 24.413 -5.577 1.00 0.00 H new ATOM 0 HB3 PHE C 10 12.791 24.117 -4.244 1.00 0.00 H new ATOM 0 HD1 PHE C 10 12.116 26.207 -7.270 1.00 0.00 H new ATOM 0 HD2 PHE C 10 11.249 22.568 -5.232 1.00 0.00 H new ATOM 0 HE1 PHE C 10 10.307 25.743 -8.865 1.00 0.00 H new ATOM 0 HE2 PHE C 10 9.441 22.107 -6.831 1.00 0.00 H new ATOM 0 HZ PHE C 10 8.969 23.692 -8.647 1.00 0.00 H new ATOM 34 N VAL C 11 12.618 26.103 -2.406 1.00 0.00 N ATOM 35 CA VAL C 11 13.048 26.265 -0.989 1.00 0.00 C ATOM 36 C VAL C 11 12.879 24.935 -0.252 1.00 0.00 C ATOM 37 O VAL C 11 11.865 24.276 -0.367 1.00 0.00 O ATOM 38 CB VAL C 11 12.191 27.339 -0.316 1.00 0.00 C ATOM 39 CG1 VAL C 11 12.483 27.356 1.186 1.00 0.00 C ATOM 40 CG2 VAL C 11 12.525 28.706 -0.916 1.00 0.00 C ATOM 0 H VAL C 11 11.663 25.767 -2.534 1.00 0.00 H new ATOM 0 HA VAL C 11 14.095 26.566 -0.957 1.00 0.00 H new ATOM 0 HB VAL C 11 11.136 27.118 -0.479 1.00 0.00 H new ATOM 0 HG11 VAL C 11 11.873 28.121 1.667 1.00 0.00 H new ATOM 0 HG12 VAL C 11 12.247 26.382 1.614 1.00 0.00 H new ATOM 0 HG13 VAL C 11 13.538 27.578 1.349 1.00 0.00 H new ATOM 0 HG21 VAL C 11 11.915 29.472 -0.437 1.00 0.00 H new ATOM 0 HG22 VAL C 11 13.580 28.927 -0.753 1.00 0.00 H new ATOM 0 HG23 VAL C 11 12.318 28.694 -1.986 1.00 0.00 H new ATOM 50 N ALA C 12 13.862 24.536 0.505 1.00 0.00 N ATOM 51 CA ALA C 12 13.757 23.249 1.247 1.00 0.00 C ATOM 52 C ALA C 12 12.896 23.436 2.497 1.00 0.00 C ATOM 53 O ALA C 12 13.295 24.076 3.449 1.00 0.00 O ATOM 54 CB ALA C 12 15.155 22.784 1.658 1.00 0.00 C ATOM 0 H ALA C 12 14.735 25.046 0.642 1.00 0.00 H new ATOM 0 HA ALA C 12 13.295 22.501 0.603 1.00 0.00 H new ATOM 0 HB1 ALA C 12 15.080 21.842 2.201 1.00 0.00 H new ATOM 0 HB2 ALA C 12 15.767 22.642 0.768 1.00 0.00 H new ATOM 0 HB3 ALA C 12 15.615 23.537 2.298 1.00 0.00 H new ATOM 60 N LEU C 13 11.716 22.878 2.501 1.00 0.00 N ATOM 61 CA LEU C 13 10.827 23.020 3.687 1.00 0.00 C ATOM 62 C LEU C 13 11.328 22.116 4.812 1.00 0.00 C ATOM 63 O LEU C 13 11.638 22.569 5.895 1.00 0.00 O ATOM 64 CB LEU C 13 9.404 22.603 3.315 1.00 0.00 C ATOM 65 CG LEU C 13 8.923 23.419 2.116 1.00 0.00 C ATOM 66 CD1 LEU C 13 7.518 22.956 1.727 1.00 0.00 C ATOM 67 CD2 LEU C 13 8.890 24.903 2.488 1.00 0.00 C ATOM 0 H LEU C 13 11.330 22.329 1.733 1.00 0.00 H new ATOM 0 HA LEU C 13 10.833 24.059 4.016 1.00 0.00 H new ATOM 0 HB2 LEU C 13 9.377 21.540 3.077 1.00 0.00 H new ATOM 0 HB3 LEU C 13 8.737 22.757 4.163 1.00 0.00 H new ATOM 0 HG LEU C 13 9.602 23.274 1.276 1.00 0.00 H new ATOM 0 HD11 LEU C 13 7.168 23.534 0.872 1.00 0.00 H new ATOM 0 HD12 LEU C 13 7.543 21.898 1.464 1.00 0.00 H new ATOM 0 HD13 LEU C 13 6.840 23.105 2.567 1.00 0.00 H new ATOM 0 HD21 LEU C 13 8.547 25.485 1.633 1.00 0.00 H new ATOM 0 HD22 LEU C 13 8.209 25.053 3.326 1.00 0.00 H new ATOM 0 HD23 LEU C 13 9.891 25.229 2.771 1.00 0.00 H new ATOM 79 N TYR C 14 11.411 20.837 4.563 1.00 0.00 N ATOM 80 CA TYR C 14 11.891 19.905 5.621 1.00 0.00 C ATOM 81 C TYR C 14 13.371 19.594 5.385 1.00 0.00 C ATOM 82 O TYR C 14 13.810 19.425 4.265 1.00 0.00 O ATOM 83 CB TYR C 14 11.074 18.606 5.581 1.00 0.00 C ATOM 84 CG TYR C 14 9.598 18.919 5.293 1.00 0.00 C ATOM 85 CD1 TYR C 14 9.080 20.178 5.533 1.00 0.00 C ATOM 86 CD2 TYR C 14 8.770 17.950 4.765 1.00 0.00 C ATOM 87 CE1 TYR C 14 7.761 20.462 5.245 1.00 0.00 C ATOM 88 CE2 TYR C 14 7.450 18.234 4.477 1.00 0.00 C ATOM 89 CZ TYR C 14 6.935 19.492 4.715 1.00 0.00 C ATOM 90 OH TYR C 14 5.615 19.774 4.430 1.00 0.00 O ATOM 0 H TYR C 14 11.168 20.399 3.675 1.00 0.00 H new ATOM 0 HA TYR C 14 11.768 20.370 6.599 1.00 0.00 H new ATOM 0 HB2 TYR C 14 11.470 17.942 4.812 1.00 0.00 H new ATOM 0 HB3 TYR C 14 11.164 18.081 6.532 1.00 0.00 H new ATOM 0 HD1 TYR C 14 9.714 20.947 5.950 1.00 0.00 H new ATOM 0 HD2 TYR C 14 9.158 16.960 4.575 1.00 0.00 H new ATOM 0 HE1 TYR C 14 7.372 21.451 5.436 1.00 0.00 H new ATOM 0 HE2 TYR C 14 6.815 17.465 4.062 1.00 0.00 H new ATOM 0 HH TYR C 14 5.182 18.976 4.062 1.00 0.00 H new ATOM 100 N ASP C 15 14.142 19.517 6.435 1.00 0.00 N ATOM 101 CA ASP C 15 15.592 19.218 6.281 1.00 0.00 C ATOM 102 C ASP C 15 15.783 17.845 5.632 1.00 0.00 C ATOM 103 O ASP C 15 15.488 16.823 6.219 1.00 0.00 O ATOM 104 CB ASP C 15 16.253 19.226 7.660 1.00 0.00 C ATOM 105 CG ASP C 15 15.324 18.556 8.675 1.00 0.00 C ATOM 106 OD1 ASP C 15 14.408 17.872 8.249 1.00 0.00 O ATOM 107 OD2 ASP C 15 15.544 18.741 9.861 1.00 0.00 O ATOM 0 H ASP C 15 13.828 19.649 7.396 1.00 0.00 H new ATOM 0 HA ASP C 15 16.049 19.975 5.644 1.00 0.00 H new ATOM 0 HB2 ASP C 15 17.207 18.700 7.621 1.00 0.00 H new ATOM 0 HB3 ASP C 15 16.466 20.250 7.967 1.00 0.00 H new ATOM 112 N TYR C 16 16.275 17.816 4.422 1.00 0.00 N ATOM 113 CA TYR C 16 16.488 16.513 3.730 1.00 0.00 C ATOM 114 C TYR C 16 17.825 15.919 4.181 1.00 0.00 C ATOM 115 O TYR C 16 18.878 16.477 3.932 1.00 0.00 O ATOM 116 CB TYR C 16 16.511 16.743 2.215 1.00 0.00 C ATOM 117 CG TYR C 16 17.117 15.525 1.510 1.00 0.00 C ATOM 118 CD1 TYR C 16 16.780 14.245 1.902 1.00 0.00 C ATOM 119 CD2 TYR C 16 18.011 15.692 0.470 1.00 0.00 C ATOM 120 CE1 TYR C 16 17.328 13.150 1.265 1.00 0.00 C ATOM 121 CE2 TYR C 16 18.558 14.596 -0.167 1.00 0.00 C ATOM 122 CZ TYR C 16 18.220 13.317 0.225 1.00 0.00 C ATOM 123 OH TYR C 16 18.767 12.221 -0.412 1.00 0.00 O ATOM 0 H TYR C 16 16.539 18.641 3.883 1.00 0.00 H new ATOM 0 HA TYR C 16 15.681 15.824 3.979 1.00 0.00 H new ATOM 0 HB2 TYR C 16 15.499 16.919 1.850 1.00 0.00 H new ATOM 0 HB3 TYR C 16 17.093 17.635 1.983 1.00 0.00 H new ATOM 0 HD1 TYR C 16 16.082 14.099 2.713 1.00 0.00 H new ATOM 0 HD2 TYR C 16 18.284 16.688 0.153 1.00 0.00 H new ATOM 0 HE1 TYR C 16 17.057 12.154 1.583 1.00 0.00 H new ATOM 0 HE2 TYR C 16 19.256 14.741 -0.978 1.00 0.00 H new ATOM 0 HH TYR C 16 19.739 12.220 -0.286 1.00 0.00 H new ATOM 133 N GLU C 17 17.790 14.793 4.841 1.00 0.00 N ATOM 134 CA GLU C 17 19.055 14.159 5.309 1.00 0.00 C ATOM 135 C GLU C 17 19.444 13.034 4.349 1.00 0.00 C ATOM 136 O GLU C 17 18.878 11.959 4.374 1.00 0.00 O ATOM 137 CB GLU C 17 18.844 13.585 6.712 1.00 0.00 C ATOM 138 CG GLU C 17 20.021 12.679 7.079 1.00 0.00 C ATOM 139 CD GLU C 17 19.716 11.955 8.392 1.00 0.00 C ATOM 140 OE1 GLU C 17 18.596 12.071 8.861 1.00 0.00 O ATOM 141 OE2 GLU C 17 20.607 11.297 8.903 1.00 0.00 O ATOM 0 H GLU C 17 16.938 14.284 5.077 1.00 0.00 H new ATOM 0 HA GLU C 17 19.851 14.904 5.336 1.00 0.00 H new ATOM 0 HB2 GLU C 17 18.755 14.394 7.437 1.00 0.00 H new ATOM 0 HB3 GLU C 17 17.912 13.020 6.748 1.00 0.00 H new ATOM 0 HG2 GLU C 17 20.198 11.954 6.284 1.00 0.00 H new ATOM 0 HG3 GLU C 17 20.931 13.270 7.180 1.00 0.00 H new ATOM 148 N SER C 18 20.410 13.270 3.502 1.00 0.00 N ATOM 149 CA SER C 18 20.834 12.213 2.543 1.00 0.00 C ATOM 150 C SER C 18 21.663 11.157 3.276 1.00 0.00 C ATOM 151 O SER C 18 22.335 11.445 4.247 1.00 0.00 O ATOM 152 CB SER C 18 21.678 12.843 1.433 1.00 0.00 C ATOM 153 OG SER C 18 20.837 13.214 0.351 1.00 0.00 O ATOM 0 H SER C 18 20.923 14.149 3.434 1.00 0.00 H new ATOM 0 HA SER C 18 19.952 11.743 2.109 1.00 0.00 H new ATOM 0 HB2 SER C 18 22.205 13.718 1.814 1.00 0.00 H new ATOM 0 HB3 SER C 18 22.436 12.137 1.093 1.00 0.00 H new ATOM 0 HG SER C 18 20.078 13.734 0.690 1.00 0.00 H new ATOM 159 N ARG C 19 21.619 9.935 2.821 1.00 0.00 N ATOM 160 CA ARG C 19 22.404 8.860 3.492 1.00 0.00 C ATOM 161 C ARG C 19 23.706 8.626 2.723 1.00 0.00 C ATOM 162 O ARG C 19 24.619 7.987 3.207 1.00 0.00 O ATOM 163 CB ARG C 19 21.586 7.567 3.515 1.00 0.00 C ATOM 164 CG ARG C 19 21.355 7.135 4.965 1.00 0.00 C ATOM 165 CD ARG C 19 22.454 6.158 5.388 1.00 0.00 C ATOM 166 NE ARG C 19 22.512 6.090 6.876 1.00 0.00 N ATOM 167 CZ ARG C 19 21.620 5.400 7.535 1.00 0.00 C ATOM 168 NH1 ARG C 19 20.673 4.768 6.895 1.00 0.00 N ATOM 169 NH2 ARG C 19 21.675 5.341 8.838 1.00 0.00 N ATOM 0 H ARG C 19 21.073 9.634 2.013 1.00 0.00 H new ATOM 0 HA ARG C 19 22.633 9.162 4.514 1.00 0.00 H new ATOM 0 HB2 ARG C 19 20.630 7.720 3.013 1.00 0.00 H new ATOM 0 HB3 ARG C 19 22.111 6.782 2.970 1.00 0.00 H new ATOM 0 HG2 ARG C 19 21.357 8.006 5.620 1.00 0.00 H new ATOM 0 HG3 ARG C 19 20.377 6.664 5.064 1.00 0.00 H new ATOM 0 HD2 ARG C 19 22.255 5.169 4.976 1.00 0.00 H new ATOM 0 HD3 ARG C 19 23.416 6.481 4.990 1.00 0.00 H new ATOM 0 HE ARG C 19 23.249 6.583 7.380 1.00 0.00 H new ATOM 0 HH11 ARG C 19 20.628 4.812 5.877 1.00 0.00 H new ATOM 0 HH12 ARG C 19 19.978 4.230 7.413 1.00 0.00 H new ATOM 0 HH21 ARG C 19 22.414 5.833 9.340 1.00 0.00 H new ATOM 0 HH22 ARG C 19 20.979 4.803 9.354 1.00 0.00 H new ATOM 183 N THR C 20 23.800 9.139 1.525 1.00 0.00 N ATOM 184 CA THR C 20 25.043 8.945 0.727 1.00 0.00 C ATOM 185 C THR C 20 25.689 10.305 0.452 1.00 0.00 C ATOM 186 O THR C 20 25.149 11.338 0.793 1.00 0.00 O ATOM 187 CB THR C 20 24.698 8.263 -0.599 1.00 0.00 C ATOM 188 OG1 THR C 20 25.889 8.061 -1.347 1.00 0.00 O ATOM 189 CG2 THR C 20 23.735 9.144 -1.397 1.00 0.00 C ATOM 0 H THR C 20 23.070 9.683 1.066 1.00 0.00 H new ATOM 0 HA THR C 20 25.740 8.319 1.285 1.00 0.00 H new ATOM 0 HB THR C 20 24.224 7.302 -0.400 1.00 0.00 H new ATOM 0 HG1 THR C 20 25.672 7.623 -2.196 1.00 0.00 H new ATOM 0 HG21 THR C 20 23.492 8.655 -2.340 1.00 0.00 H new ATOM 0 HG22 THR C 20 22.822 9.298 -0.822 1.00 0.00 H new ATOM 0 HG23 THR C 20 24.204 10.107 -1.598 1.00 0.00 H new ATOM 197 N GLU C 21 26.841 10.313 -0.161 1.00 0.00 N ATOM 198 CA GLU C 21 27.519 11.604 -0.455 1.00 0.00 C ATOM 199 C GLU C 21 27.016 12.159 -1.790 1.00 0.00 C ATOM 200 O GLU C 21 27.155 13.333 -2.077 1.00 0.00 O ATOM 201 CB GLU C 21 29.028 11.375 -0.533 1.00 0.00 C ATOM 202 CG GLU C 21 29.318 10.097 -1.324 1.00 0.00 C ATOM 203 CD GLU C 21 30.790 10.080 -1.741 1.00 0.00 C ATOM 204 OE1 GLU C 21 31.619 9.755 -0.908 1.00 0.00 O ATOM 205 OE2 GLU C 21 31.064 10.393 -2.889 1.00 0.00 O ATOM 0 H GLU C 21 27.341 9.480 -0.471 1.00 0.00 H new ATOM 0 HA GLU C 21 27.297 12.319 0.337 1.00 0.00 H new ATOM 0 HB2 GLU C 21 29.510 12.227 -1.012 1.00 0.00 H new ATOM 0 HB3 GLU C 21 29.445 11.295 0.471 1.00 0.00 H new ATOM 0 HG2 GLU C 21 29.091 9.221 -0.717 1.00 0.00 H new ATOM 0 HG3 GLU C 21 28.678 10.049 -2.205 1.00 0.00 H new ATOM 212 N THR C 22 26.433 11.329 -2.611 1.00 0.00 N ATOM 213 CA THR C 22 25.925 11.815 -3.925 1.00 0.00 C ATOM 214 C THR C 22 24.949 12.969 -3.696 1.00 0.00 C ATOM 215 O THR C 22 25.248 14.114 -3.975 1.00 0.00 O ATOM 216 CB THR C 22 25.199 10.678 -4.648 1.00 0.00 C ATOM 217 OG1 THR C 22 26.022 9.519 -4.652 1.00 0.00 O ATOM 218 CG2 THR C 22 24.898 11.100 -6.087 1.00 0.00 C ATOM 0 H THR C 22 26.287 10.336 -2.429 1.00 0.00 H new ATOM 0 HA THR C 22 26.763 12.156 -4.532 1.00 0.00 H new ATOM 0 HB THR C 22 24.264 10.456 -4.134 1.00 0.00 H new ATOM 0 HG1 THR C 22 25.558 8.790 -5.113 1.00 0.00 H new ATOM 0 HG21 THR C 22 24.381 10.291 -6.603 1.00 0.00 H new ATOM 0 HG22 THR C 22 24.267 11.989 -6.081 1.00 0.00 H new ATOM 0 HG23 THR C 22 25.832 11.322 -6.604 1.00 0.00 H new ATOM 226 N ASP C 23 23.783 12.676 -3.192 1.00 0.00 N ATOM 227 CA ASP C 23 22.785 13.753 -2.944 1.00 0.00 C ATOM 228 C ASP C 23 23.201 14.549 -1.707 1.00 0.00 C ATOM 229 O ASP C 23 23.438 13.993 -0.653 1.00 0.00 O ATOM 230 CB ASP C 23 21.409 13.127 -2.711 1.00 0.00 C ATOM 231 CG ASP C 23 21.258 11.888 -3.596 1.00 0.00 C ATOM 232 OD1 ASP C 23 21.906 11.841 -4.630 1.00 0.00 O ATOM 233 OD2 ASP C 23 20.499 11.008 -3.227 1.00 0.00 O ATOM 0 H ASP C 23 23.478 11.736 -2.941 1.00 0.00 H new ATOM 0 HA ASP C 23 22.739 14.417 -3.807 1.00 0.00 H new ATOM 0 HB2 ASP C 23 21.294 12.854 -1.662 1.00 0.00 H new ATOM 0 HB3 ASP C 23 20.625 13.849 -2.940 1.00 0.00 H new ATOM 238 N LEU C 24 23.293 15.845 -1.822 1.00 0.00 N ATOM 239 CA LEU C 24 23.695 16.662 -0.643 1.00 0.00 C ATOM 240 C LEU C 24 22.498 16.821 0.289 1.00 0.00 C ATOM 241 O LEU C 24 21.359 16.667 -0.109 1.00 0.00 O ATOM 242 CB LEU C 24 24.171 18.048 -1.091 1.00 0.00 C ATOM 243 CG LEU C 24 24.795 17.967 -2.485 1.00 0.00 C ATOM 244 CD1 LEU C 24 25.465 19.302 -2.819 1.00 0.00 C ATOM 245 CD2 LEU C 24 25.841 16.851 -2.523 1.00 0.00 C ATOM 0 H LEU C 24 23.108 16.371 -2.676 1.00 0.00 H new ATOM 0 HA LEU C 24 24.510 16.158 -0.125 1.00 0.00 H new ATOM 0 HB2 LEU C 24 23.332 18.743 -1.100 1.00 0.00 H new ATOM 0 HB3 LEU C 24 24.900 18.437 -0.380 1.00 0.00 H new ATOM 0 HG LEU C 24 24.015 17.753 -3.216 1.00 0.00 H new ATOM 0 HD11 LEU C 24 25.911 19.247 -3.812 1.00 0.00 H new ATOM 0 HD12 LEU C 24 24.720 20.098 -2.799 1.00 0.00 H new ATOM 0 HD13 LEU C 24 26.242 19.513 -2.084 1.00 0.00 H new ATOM 0 HD21 LEU C 24 26.281 16.799 -3.519 1.00 0.00 H new ATOM 0 HD22 LEU C 24 26.622 17.059 -1.791 1.00 0.00 H new ATOM 0 HD23 LEU C 24 25.366 15.899 -2.286 1.00 0.00 H new ATOM 257 N SER C 25 22.746 17.128 1.527 1.00 0.00 N ATOM 258 CA SER C 25 21.628 17.300 2.492 1.00 0.00 C ATOM 259 C SER C 25 21.369 18.793 2.696 1.00 0.00 C ATOM 260 O SER C 25 22.282 19.595 2.687 1.00 0.00 O ATOM 261 CB SER C 25 22.008 16.660 3.828 1.00 0.00 C ATOM 262 OG SER C 25 23.310 16.104 3.735 1.00 0.00 O ATOM 0 H SER C 25 23.679 17.268 1.915 1.00 0.00 H new ATOM 0 HA SER C 25 20.729 16.821 2.105 1.00 0.00 H new ATOM 0 HB2 SER C 25 21.976 17.406 4.622 1.00 0.00 H new ATOM 0 HB3 SER C 25 21.288 15.884 4.089 1.00 0.00 H new ATOM 0 HG SER C 25 23.553 15.696 4.592 1.00 0.00 H new ATOM 268 N PHE C 26 20.136 19.177 2.882 1.00 0.00 N ATOM 269 CA PHE C 26 19.841 20.623 3.086 1.00 0.00 C ATOM 270 C PHE C 26 18.900 20.797 4.278 1.00 0.00 C ATOM 271 O PHE C 26 17.999 20.013 4.492 1.00 0.00 O ATOM 272 CB PHE C 26 19.188 21.208 1.827 1.00 0.00 C ATOM 273 CG PHE C 26 17.952 20.397 1.445 1.00 0.00 C ATOM 274 CD1 PHE C 26 16.781 20.550 2.155 1.00 0.00 C ATOM 275 CD2 PHE C 26 17.981 19.525 0.371 1.00 0.00 C ATOM 276 CE1 PHE C 26 15.649 19.844 1.801 1.00 0.00 C ATOM 277 CE2 PHE C 26 16.849 18.819 0.015 1.00 0.00 C ATOM 278 CZ PHE C 26 15.684 18.978 0.730 1.00 0.00 C ATOM 0 H PHE C 26 19.326 18.558 2.902 1.00 0.00 H new ATOM 0 HA PHE C 26 20.775 21.150 3.283 1.00 0.00 H new ATOM 0 HB2 PHE C 26 18.909 22.247 2.003 1.00 0.00 H new ATOM 0 HB3 PHE C 26 19.902 21.205 1.004 1.00 0.00 H new ATOM 0 HD1 PHE C 26 16.749 21.228 2.995 1.00 0.00 H new ATOM 0 HD2 PHE C 26 18.894 19.396 -0.192 1.00 0.00 H new ATOM 0 HE1 PHE C 26 14.736 19.970 2.364 1.00 0.00 H new ATOM 0 HE2 PHE C 26 16.878 18.141 -0.825 1.00 0.00 H new ATOM 0 HZ PHE C 26 14.799 18.425 0.452 1.00 0.00 H new ATOM 288 N LYS C 27 19.108 21.822 5.059 1.00 0.00 N ATOM 289 CA LYS C 27 18.230 22.052 6.240 1.00 0.00 C ATOM 290 C LYS C 27 17.038 22.914 5.824 1.00 0.00 C ATOM 291 O LYS C 27 16.824 23.174 4.655 1.00 0.00 O ATOM 292 CB LYS C 27 19.024 22.770 7.332 1.00 0.00 C ATOM 293 CG LYS C 27 20.325 22.009 7.600 1.00 0.00 C ATOM 294 CD LYS C 27 20.761 22.242 9.048 1.00 0.00 C ATOM 295 CE LYS C 27 21.287 20.932 9.639 1.00 0.00 C ATOM 296 NZ LYS C 27 21.629 21.139 11.075 1.00 0.00 N ATOM 0 H LYS C 27 19.849 22.511 4.929 1.00 0.00 H new ATOM 0 HA LYS C 27 17.872 21.096 6.622 1.00 0.00 H new ATOM 0 HB2 LYS C 27 19.245 23.792 7.024 1.00 0.00 H new ATOM 0 HB3 LYS C 27 18.432 22.833 8.245 1.00 0.00 H new ATOM 0 HG2 LYS C 27 20.180 20.944 7.419 1.00 0.00 H new ATOM 0 HG3 LYS C 27 21.104 22.345 6.916 1.00 0.00 H new ATOM 0 HD2 LYS C 27 21.535 23.008 9.087 1.00 0.00 H new ATOM 0 HD3 LYS C 27 19.921 22.608 9.638 1.00 0.00 H new ATOM 0 HE2 LYS C 27 20.535 20.149 9.542 1.00 0.00 H new ATOM 0 HE3 LYS C 27 22.167 20.599 9.088 1.00 0.00 H new ATOM 0 HZ1 LYS C 27 21.987 20.250 11.478 1.00 0.00 H new ATOM 0 HZ2 LYS C 27 22.360 21.874 11.155 1.00 0.00 H new ATOM 0 HZ3 LYS C 27 20.779 21.438 11.595 1.00 0.00 H new ATOM 310 N LYS C 28 16.260 23.361 6.769 1.00 0.00 N ATOM 311 CA LYS C 28 15.082 24.206 6.427 1.00 0.00 C ATOM 312 C LYS C 28 15.540 25.645 6.178 1.00 0.00 C ATOM 313 O LYS C 28 15.795 26.393 7.101 1.00 0.00 O ATOM 314 CB LYS C 28 14.084 24.182 7.585 1.00 0.00 C ATOM 315 CG LYS C 28 12.966 25.191 7.314 1.00 0.00 C ATOM 316 CD LYS C 28 11.707 24.774 8.077 1.00 0.00 C ATOM 317 CE LYS C 28 10.838 26.005 8.335 1.00 0.00 C ATOM 318 NZ LYS C 28 10.651 26.184 9.802 1.00 0.00 N ATOM 0 H LYS C 28 16.389 23.178 7.764 1.00 0.00 H new ATOM 0 HA LYS C 28 14.605 23.816 5.528 1.00 0.00 H new ATOM 0 HB2 LYS C 28 13.666 23.182 7.699 1.00 0.00 H new ATOM 0 HB3 LYS C 28 14.589 24.425 8.520 1.00 0.00 H new ATOM 0 HG2 LYS C 28 13.278 26.188 7.624 1.00 0.00 H new ATOM 0 HG3 LYS C 28 12.757 25.240 6.245 1.00 0.00 H new ATOM 0 HD2 LYS C 28 11.148 24.035 7.503 1.00 0.00 H new ATOM 0 HD3 LYS C 28 11.980 24.304 9.022 1.00 0.00 H new ATOM 0 HE2 LYS C 28 11.308 26.891 7.907 1.00 0.00 H new ATOM 0 HE3 LYS C 28 9.871 25.889 7.846 1.00 0.00 H new ATOM 0 HZ1 LYS C 28 10.060 27.022 9.977 1.00 0.00 H new ATOM 0 HZ2 LYS C 28 10.185 25.343 10.198 1.00 0.00 H new ATOM 0 HZ3 LYS C 28 11.577 26.313 10.257 1.00 0.00 H new ATOM 332 N GLY C 29 15.646 26.038 4.937 1.00 0.00 N ATOM 333 CA GLY C 29 16.087 27.428 4.631 1.00 0.00 C ATOM 334 C GLY C 29 17.028 27.412 3.426 1.00 0.00 C ATOM 335 O GLY C 29 17.173 28.394 2.724 1.00 0.00 O ATOM 0 H GLY C 29 15.446 25.457 4.123 1.00 0.00 H new ATOM 0 HA2 GLY C 29 15.222 28.057 4.422 1.00 0.00 H new ATOM 0 HA3 GLY C 29 16.593 27.859 5.495 1.00 0.00 H new ATOM 339 N GLU C 30 17.671 26.304 3.176 1.00 0.00 N ATOM 340 CA GLU C 30 18.602 26.229 2.016 1.00 0.00 C ATOM 341 C GLU C 30 17.798 26.263 0.714 1.00 0.00 C ATOM 342 O GLU C 30 16.760 25.643 0.597 1.00 0.00 O ATOM 343 CB GLU C 30 19.401 24.927 2.087 1.00 0.00 C ATOM 344 CG GLU C 30 20.210 24.755 0.801 1.00 0.00 C ATOM 345 CD GLU C 30 21.635 24.319 1.150 1.00 0.00 C ATOM 346 OE1 GLU C 30 22.170 24.834 2.117 1.00 0.00 O ATOM 347 OE2 GLU C 30 22.165 23.478 0.444 1.00 0.00 O ATOM 0 H GLU C 30 17.591 25.448 3.725 1.00 0.00 H new ATOM 0 HA GLU C 30 19.286 27.077 2.044 1.00 0.00 H new ATOM 0 HB2 GLU C 30 20.068 24.943 2.949 1.00 0.00 H new ATOM 0 HB3 GLU C 30 18.727 24.081 2.221 1.00 0.00 H new ATOM 0 HG2 GLU C 30 19.738 24.012 0.158 1.00 0.00 H new ATOM 0 HG3 GLU C 30 20.231 25.692 0.244 1.00 0.00 H new ATOM 354 N ARG C 31 18.270 26.982 -0.266 1.00 0.00 N ATOM 355 CA ARG C 31 17.533 27.056 -1.559 1.00 0.00 C ATOM 356 C ARG C 31 18.293 26.263 -2.625 1.00 0.00 C ATOM 357 O ARG C 31 19.500 26.135 -2.574 1.00 0.00 O ATOM 358 CB ARG C 31 17.415 28.515 -1.998 1.00 0.00 C ATOM 359 CG ARG C 31 16.757 29.332 -0.885 1.00 0.00 C ATOM 360 CD ARG C 31 17.518 30.647 -0.697 1.00 0.00 C ATOM 361 NE ARG C 31 17.810 31.245 -2.030 1.00 0.00 N ATOM 362 CZ ARG C 31 18.307 32.451 -2.112 1.00 0.00 C ATOM 363 NH1 ARG C 31 18.551 33.137 -1.028 1.00 0.00 N ATOM 364 NH2 ARG C 31 18.561 32.971 -3.282 1.00 0.00 N ATOM 0 H ARG C 31 19.135 27.522 -0.228 1.00 0.00 H new ATOM 0 HA ARG C 31 16.536 26.634 -1.432 1.00 0.00 H new ATOM 0 HB2 ARG C 31 18.402 28.918 -2.225 1.00 0.00 H new ATOM 0 HB3 ARG C 31 16.825 28.584 -2.912 1.00 0.00 H new ATOM 0 HG2 ARG C 31 15.716 29.535 -1.136 1.00 0.00 H new ATOM 0 HG3 ARG C 31 16.756 28.764 0.045 1.00 0.00 H new ATOM 0 HD2 ARG C 31 16.927 31.339 -0.097 1.00 0.00 H new ATOM 0 HD3 ARG C 31 18.447 30.468 -0.155 1.00 0.00 H new ATOM 0 HE ARG C 31 17.622 30.713 -2.879 1.00 0.00 H new ATOM 0 HH11 ARG C 31 18.354 32.732 -0.113 1.00 0.00 H new ATOM 0 HH12 ARG C 31 18.939 34.078 -1.096 1.00 0.00 H new ATOM 0 HH21 ARG C 31 18.372 32.436 -4.130 1.00 0.00 H new ATOM 0 HH22 ARG C 31 18.949 33.912 -3.349 1.00 0.00 H new ATOM 378 N LEU C 32 17.595 25.730 -3.590 1.00 0.00 N ATOM 379 CA LEU C 32 18.280 24.948 -4.658 1.00 0.00 C ATOM 380 C LEU C 32 17.544 25.146 -5.986 1.00 0.00 C ATOM 381 O LEU C 32 16.330 25.193 -6.032 1.00 0.00 O ATOM 382 CB LEU C 32 18.271 23.463 -4.286 1.00 0.00 C ATOM 383 CG LEU C 32 18.955 23.273 -2.930 1.00 0.00 C ATOM 384 CD1 LEU C 32 17.908 23.354 -1.817 1.00 0.00 C ATOM 385 CD2 LEU C 32 19.636 21.905 -2.891 1.00 0.00 C ATOM 0 H LEU C 32 16.582 25.802 -3.685 1.00 0.00 H new ATOM 0 HA LEU C 32 19.309 25.292 -4.758 1.00 0.00 H new ATOM 0 HB2 LEU C 32 17.246 23.094 -4.243 1.00 0.00 H new ATOM 0 HB3 LEU C 32 18.787 22.882 -5.050 1.00 0.00 H new ATOM 0 HG LEU C 32 19.701 24.054 -2.785 1.00 0.00 H new ATOM 0 HD11 LEU C 32 18.393 23.219 -0.850 1.00 0.00 H new ATOM 0 HD12 LEU C 32 17.421 24.329 -1.846 1.00 0.00 H new ATOM 0 HD13 LEU C 32 17.163 22.572 -1.961 1.00 0.00 H new ATOM 0 HD21 LEU C 32 20.124 21.769 -1.926 1.00 0.00 H new ATOM 0 HD22 LEU C 32 18.890 21.123 -3.035 1.00 0.00 H new ATOM 0 HD23 LEU C 32 20.381 21.846 -3.685 1.00 0.00 H new ATOM 397 N GLN C 33 18.267 25.263 -7.065 1.00 0.00 N ATOM 398 CA GLN C 33 17.606 25.458 -8.387 1.00 0.00 C ATOM 399 C GLN C 33 17.116 24.109 -8.918 1.00 0.00 C ATOM 400 O GLN C 33 17.863 23.154 -8.999 1.00 0.00 O ATOM 401 CB GLN C 33 18.607 26.061 -9.376 1.00 0.00 C ATOM 402 CG GLN C 33 18.968 27.481 -8.935 1.00 0.00 C ATOM 403 CD GLN C 33 19.881 28.123 -9.981 1.00 0.00 C ATOM 404 OE1 GLN C 33 21.042 27.778 -10.083 1.00 0.00 O ATOM 405 NE2 GLN C 33 19.404 29.048 -10.768 1.00 0.00 N ATOM 0 H GLN C 33 19.286 25.232 -7.089 1.00 0.00 H new ATOM 0 HA GLN C 33 16.758 26.133 -8.271 1.00 0.00 H new ATOM 0 HB2 GLN C 33 19.504 25.444 -9.423 1.00 0.00 H new ATOM 0 HB3 GLN C 33 18.179 26.078 -10.378 1.00 0.00 H new ATOM 0 HG2 GLN C 33 18.063 28.076 -8.812 1.00 0.00 H new ATOM 0 HG3 GLN C 33 19.468 27.457 -7.967 1.00 0.00 H new ATOM 0 HE21 GLN C 33 18.430 29.338 -10.683 1.00 0.00 H new ATOM 0 HE22 GLN C 33 20.005 29.481 -11.469 1.00 0.00 H new ATOM 414 N ILE C 34 15.865 24.023 -9.281 1.00 0.00 N ATOM 415 CA ILE C 34 15.329 22.735 -9.806 1.00 0.00 C ATOM 416 C ILE C 34 15.929 22.462 -11.187 1.00 0.00 C ATOM 417 O ILE C 34 16.039 23.345 -12.013 1.00 0.00 O ATOM 418 CB ILE C 34 13.807 22.824 -9.919 1.00 0.00 C ATOM 419 CG1 ILE C 34 13.210 23.163 -8.552 1.00 0.00 C ATOM 420 CG2 ILE C 34 13.254 21.480 -10.397 1.00 0.00 C ATOM 421 CD1 ILE C 34 13.774 22.207 -7.500 1.00 0.00 C ATOM 0 H ILE C 34 15.192 24.788 -9.237 1.00 0.00 H new ATOM 0 HA ILE C 34 15.595 21.925 -9.126 1.00 0.00 H new ATOM 0 HB ILE C 34 13.541 23.603 -10.633 1.00 0.00 H new ATOM 0 HG12 ILE C 34 13.445 24.194 -8.286 1.00 0.00 H new ATOM 0 HG13 ILE C 34 12.124 23.082 -8.587 1.00 0.00 H new ATOM 0 HG21 ILE C 34 12.169 21.541 -10.478 1.00 0.00 H new ATOM 0 HG22 ILE C 34 13.678 21.238 -11.372 1.00 0.00 H new ATOM 0 HG23 ILE C 34 13.521 20.702 -9.682 1.00 0.00 H new ATOM 0 HD11 ILE C 34 13.350 22.447 -6.525 1.00 0.00 H new ATOM 0 HD12 ILE C 34 13.517 21.182 -7.765 1.00 0.00 H new ATOM 0 HD13 ILE C 34 14.858 22.310 -7.459 1.00 0.00 H new ATOM 433 N VAL C 35 16.318 21.242 -11.444 1.00 0.00 N ATOM 434 CA VAL C 35 16.910 20.914 -12.772 1.00 0.00 C ATOM 435 C VAL C 35 15.838 20.304 -13.672 1.00 0.00 C ATOM 436 O VAL C 35 15.611 20.752 -14.778 1.00 0.00 O ATOM 437 CB VAL C 35 18.051 19.913 -12.588 1.00 0.00 C ATOM 438 CG1 VAL C 35 18.516 19.413 -13.957 1.00 0.00 C ATOM 439 CG2 VAL C 35 19.219 20.595 -11.871 1.00 0.00 C ATOM 0 H VAL C 35 16.251 20.460 -10.793 1.00 0.00 H new ATOM 0 HA VAL C 35 17.295 21.824 -13.232 1.00 0.00 H new ATOM 0 HB VAL C 35 17.701 19.070 -11.992 1.00 0.00 H new ATOM 0 HG11 VAL C 35 19.329 18.699 -13.827 1.00 0.00 H new ATOM 0 HG12 VAL C 35 17.685 18.927 -14.468 1.00 0.00 H new ATOM 0 HG13 VAL C 35 18.865 20.256 -14.553 1.00 0.00 H new ATOM 0 HG21 VAL C 35 20.032 19.881 -11.740 1.00 0.00 H new ATOM 0 HG22 VAL C 35 19.569 21.438 -12.466 1.00 0.00 H new ATOM 0 HG23 VAL C 35 18.889 20.952 -10.895 1.00 0.00 H new ATOM 449 N ASN C 36 15.177 19.285 -13.204 1.00 0.00 N ATOM 450 CA ASN C 36 14.116 18.640 -14.029 1.00 0.00 C ATOM 451 C ASN C 36 13.183 17.837 -13.121 1.00 0.00 C ATOM 452 O ASN C 36 13.051 18.117 -11.947 1.00 0.00 O ATOM 453 CB ASN C 36 14.764 17.705 -15.052 1.00 0.00 C ATOM 454 CG ASN C 36 13.900 17.650 -16.313 1.00 0.00 C ATOM 455 OD1 ASN C 36 13.402 16.507 -16.699 1.00 0.00 O flip ATOM 456 ND2 ASN C 36 13.676 18.657 -16.955 1.00 0.00 N flip ATOM 0 H ASN C 36 15.324 18.869 -12.285 1.00 0.00 H new ATOM 0 HA ASN C 36 13.543 19.407 -14.551 1.00 0.00 H new ATOM 0 HB2 ASN C 36 15.765 18.058 -15.300 1.00 0.00 H new ATOM 0 HB3 ASN C 36 14.873 16.706 -14.629 1.00 0.00 H new ATOM 0 HD21 ASN C 36 14.065 19.551 -16.654 1.00 0.00 H new ATOM 0 HD22 ASN C 36 13.099 18.609 -17.795 1.00 0.00 H new ATOM 463 N ASN C 37 12.536 16.838 -13.656 1.00 0.00 N ATOM 464 CA ASN C 37 11.613 16.016 -12.826 1.00 0.00 C ATOM 465 C ASN C 37 10.479 16.894 -12.293 1.00 0.00 C ATOM 466 O ASN C 37 10.601 17.524 -11.261 1.00 0.00 O ATOM 467 CB ASN C 37 12.384 15.412 -11.651 1.00 0.00 C ATOM 468 CG ASN C 37 13.420 14.418 -12.177 1.00 0.00 C ATOM 469 OD1 ASN C 37 14.322 14.787 -12.903 1.00 0.00 O ATOM 470 ND2 ASN C 37 13.329 13.161 -11.839 1.00 0.00 N ATOM 0 H ASN C 37 12.607 16.556 -14.634 1.00 0.00 H new ATOM 0 HA ASN C 37 11.194 15.217 -13.437 1.00 0.00 H new ATOM 0 HB2 ASN C 37 12.877 16.200 -11.082 1.00 0.00 H new ATOM 0 HB3 ASN C 37 11.696 14.910 -10.970 1.00 0.00 H new ATOM 0 HD21 ASN C 37 14.015 12.489 -12.184 1.00 0.00 H new ATOM 0 HD22 ASN C 37 12.572 12.850 -11.230 1.00 0.00 H new ATOM 477 N THR C 38 9.377 16.940 -12.989 1.00 0.00 N ATOM 478 CA THR C 38 8.236 17.777 -12.524 1.00 0.00 C ATOM 479 C THR C 38 7.347 16.947 -11.596 1.00 0.00 C ATOM 480 O THR C 38 6.559 17.475 -10.837 1.00 0.00 O ATOM 481 CB THR C 38 7.420 18.244 -13.731 1.00 0.00 C ATOM 482 OG1 THR C 38 6.360 19.081 -13.289 1.00 0.00 O ATOM 483 CG2 THR C 38 6.844 17.030 -14.461 1.00 0.00 C ATOM 0 H THR C 38 9.217 16.434 -13.860 1.00 0.00 H new ATOM 0 HA THR C 38 8.615 18.646 -11.986 1.00 0.00 H new ATOM 0 HB THR C 38 8.064 18.801 -14.411 1.00 0.00 H new ATOM 0 HG1 THR C 38 5.837 19.382 -14.061 1.00 0.00 H new ATOM 0 HG21 THR C 38 6.263 17.364 -15.321 1.00 0.00 H new ATOM 0 HG22 THR C 38 7.658 16.389 -14.800 1.00 0.00 H new ATOM 0 HG23 THR C 38 6.200 16.470 -13.783 1.00 0.00 H new ATOM 491 N GLU C 39 7.468 15.649 -11.653 1.00 0.00 N ATOM 492 CA GLU C 39 6.634 14.780 -10.776 1.00 0.00 C ATOM 493 C GLU C 39 7.480 13.613 -10.265 1.00 0.00 C ATOM 494 O GLU C 39 8.693 13.679 -10.239 1.00 0.00 O ATOM 495 CB GLU C 39 5.445 14.240 -11.574 1.00 0.00 C ATOM 496 CG GLU C 39 4.141 14.694 -10.915 1.00 0.00 C ATOM 497 CD GLU C 39 3.169 15.184 -11.991 1.00 0.00 C ATOM 498 OE1 GLU C 39 3.638 15.648 -13.017 1.00 0.00 O ATOM 499 OE2 GLU C 39 1.973 15.087 -11.770 1.00 0.00 O ATOM 0 H GLU C 39 8.110 15.152 -12.271 1.00 0.00 H new ATOM 0 HA GLU C 39 6.267 15.361 -9.930 1.00 0.00 H new ATOM 0 HB2 GLU C 39 5.490 14.599 -12.602 1.00 0.00 H new ATOM 0 HB3 GLU C 39 5.485 13.151 -11.615 1.00 0.00 H new ATOM 0 HG2 GLU C 39 3.697 13.870 -10.357 1.00 0.00 H new ATOM 0 HG3 GLU C 39 4.341 15.492 -10.200 1.00 0.00 H new ATOM 506 N GLY C 40 6.853 12.544 -9.857 1.00 0.00 N ATOM 507 CA GLY C 40 7.624 11.376 -9.348 1.00 0.00 C ATOM 508 C GLY C 40 7.869 11.546 -7.848 1.00 0.00 C ATOM 509 O GLY C 40 6.953 11.782 -7.084 1.00 0.00 O ATOM 0 H GLY C 40 5.839 12.429 -9.854 1.00 0.00 H new ATOM 0 HA2 GLY C 40 7.075 10.453 -9.536 1.00 0.00 H new ATOM 0 HA3 GLY C 40 8.574 11.295 -9.876 1.00 0.00 H new ATOM 513 N ASP C 41 9.095 11.431 -7.417 1.00 0.00 N ATOM 514 CA ASP C 41 9.389 11.587 -5.965 1.00 0.00 C ATOM 515 C ASP C 41 10.881 11.859 -5.762 1.00 0.00 C ATOM 516 O ASP C 41 11.418 11.643 -4.693 1.00 0.00 O ATOM 517 CB ASP C 41 9.001 10.304 -5.226 1.00 0.00 C ATOM 518 CG ASP C 41 7.847 10.599 -4.266 1.00 0.00 C ATOM 519 OD1 ASP C 41 7.844 11.672 -3.686 1.00 0.00 O ATOM 520 OD2 ASP C 41 6.985 9.745 -4.128 1.00 0.00 O ATOM 0 H ASP C 41 9.904 11.236 -8.006 1.00 0.00 H new ATOM 0 HA ASP C 41 8.815 12.426 -5.571 1.00 0.00 H new ATOM 0 HB2 ASP C 41 8.707 9.535 -5.940 1.00 0.00 H new ATOM 0 HB3 ASP C 41 9.857 9.916 -4.674 1.00 0.00 H new ATOM 525 N TRP C 42 11.560 12.332 -6.773 1.00 0.00 N ATOM 526 CA TRP C 42 13.016 12.612 -6.619 1.00 0.00 C ATOM 527 C TRP C 42 13.483 13.574 -7.713 1.00 0.00 C ATOM 528 O TRP C 42 13.577 13.217 -8.872 1.00 0.00 O ATOM 529 CB TRP C 42 13.798 11.302 -6.716 1.00 0.00 C ATOM 530 CG TRP C 42 13.800 10.615 -5.349 1.00 0.00 C ATOM 531 CD1 TRP C 42 13.049 9.552 -5.018 1.00 0.00 C ATOM 532 CD2 TRP C 42 14.536 10.995 -4.307 1.00 0.00 C ATOM 533 NE1 TRP C 42 13.371 9.324 -3.743 1.00 0.00 N ATOM 534 CE2 TRP C 42 14.290 10.178 -3.220 1.00 0.00 C ATOM 535 CE3 TRP C 42 15.440 12.031 -4.202 1.00 0.00 C ATOM 536 CZ2 TRP C 42 14.950 10.400 -2.029 1.00 0.00 C ATOM 537 CZ3 TRP C 42 16.100 12.253 -3.011 1.00 0.00 C ATOM 538 CH2 TRP C 42 15.855 11.437 -1.924 1.00 0.00 C ATOM 0 H TRP C 42 11.171 12.535 -7.694 1.00 0.00 H new ATOM 0 HA TRP C 42 13.192 13.071 -5.646 1.00 0.00 H new ATOM 0 HB2 TRP C 42 13.347 10.650 -7.464 1.00 0.00 H new ATOM 0 HB3 TRP C 42 14.820 11.498 -7.039 1.00 0.00 H new ATOM 0 HD1 TRP C 42 12.350 9.010 -5.637 1.00 0.00 H new ATOM 0 HE1 TRP C 42 12.958 8.565 -3.201 1.00 0.00 H new ATOM 0 HE3 TRP C 42 15.631 12.669 -5.052 1.00 0.00 H new ATOM 0 HZ2 TRP C 42 14.759 9.762 -1.179 1.00 0.00 H new ATOM 0 HZ3 TRP C 42 16.808 13.064 -2.929 1.00 0.00 H new ATOM 0 HH2 TRP C 42 16.372 11.610 -0.992 1.00 0.00 H new ATOM 549 N TRP C 43 13.778 14.795 -7.354 1.00 0.00 N ATOM 550 CA TRP C 43 14.242 15.785 -8.368 1.00 0.00 C ATOM 551 C TRP C 43 15.715 16.121 -8.119 1.00 0.00 C ATOM 552 O TRP C 43 16.246 15.877 -7.053 1.00 0.00 O ATOM 553 CB TRP C 43 13.414 17.067 -8.251 1.00 0.00 C ATOM 554 CG TRP C 43 11.925 16.724 -8.210 1.00 0.00 C ATOM 555 CD1 TRP C 43 11.375 15.608 -8.715 1.00 0.00 C ATOM 556 CD2 TRP C 43 10.980 17.502 -7.689 1.00 0.00 C ATOM 557 NE1 TRP C 43 10.071 15.764 -8.473 1.00 0.00 N ATOM 558 CE2 TRP C 43 9.738 16.917 -7.836 1.00 0.00 C ATOM 559 CE3 TRP C 43 11.098 18.726 -7.062 1.00 0.00 C ATOM 560 CZ2 TRP C 43 8.614 17.558 -7.356 1.00 0.00 C ATOM 561 CZ3 TRP C 43 9.974 19.365 -6.580 1.00 0.00 C ATOM 562 CH2 TRP C 43 8.732 18.783 -6.728 1.00 0.00 C ATOM 0 H TRP C 43 13.717 15.150 -6.400 1.00 0.00 H new ATOM 0 HA TRP C 43 14.123 15.359 -9.364 1.00 0.00 H new ATOM 0 HB2 TRP C 43 13.696 17.611 -7.349 1.00 0.00 H new ATOM 0 HB3 TRP C 43 13.622 17.723 -9.097 1.00 0.00 H new ATOM 0 HD1 TRP C 43 11.870 14.780 -9.202 1.00 0.00 H new ATOM 0 HE1 TRP C 43 9.376 15.069 -8.746 1.00 0.00 H new ATOM 0 HE3 TRP C 43 12.070 19.183 -6.949 1.00 0.00 H new ATOM 0 HZ2 TRP C 43 7.642 17.102 -7.471 1.00 0.00 H new ATOM 0 HZ3 TRP C 43 10.067 20.321 -6.087 1.00 0.00 H new ATOM 0 HH2 TRP C 43 7.852 19.285 -6.353 1.00 0.00 H new ATOM 573 N LEU C 44 16.378 16.683 -9.093 1.00 0.00 N ATOM 574 CA LEU C 44 17.814 17.036 -8.912 1.00 0.00 C ATOM 575 C LEU C 44 17.965 18.557 -8.943 1.00 0.00 C ATOM 576 O LEU C 44 17.595 19.205 -9.901 1.00 0.00 O ATOM 577 CB LEU C 44 18.641 16.416 -10.041 1.00 0.00 C ATOM 578 CG LEU C 44 20.095 16.876 -9.921 1.00 0.00 C ATOM 579 CD1 LEU C 44 20.833 15.988 -8.919 1.00 0.00 C ATOM 580 CD2 LEU C 44 20.776 16.774 -11.286 1.00 0.00 C ATOM 0 H LEU C 44 15.987 16.913 -10.006 1.00 0.00 H new ATOM 0 HA LEU C 44 18.167 16.652 -7.955 1.00 0.00 H new ATOM 0 HB2 LEU C 44 18.587 15.329 -9.990 1.00 0.00 H new ATOM 0 HB3 LEU C 44 18.234 16.711 -11.008 1.00 0.00 H new ATOM 0 HG LEU C 44 20.119 17.910 -9.577 1.00 0.00 H new ATOM 0 HD11 LEU C 44 21.869 16.317 -8.835 1.00 0.00 H new ATOM 0 HD12 LEU C 44 20.349 16.059 -7.945 1.00 0.00 H new ATOM 0 HD13 LEU C 44 20.808 14.954 -9.262 1.00 0.00 H new ATOM 0 HD21 LEU C 44 21.812 17.102 -11.201 1.00 0.00 H new ATOM 0 HD22 LEU C 44 20.749 15.740 -11.629 1.00 0.00 H new ATOM 0 HD23 LEU C 44 20.253 17.408 -12.002 1.00 0.00 H new ATOM 592 N ALA C 45 18.505 19.135 -7.905 1.00 0.00 N ATOM 593 CA ALA C 45 18.673 20.615 -7.888 1.00 0.00 C ATOM 594 C ALA C 45 20.153 20.967 -7.722 1.00 0.00 C ATOM 595 O ALA C 45 20.943 20.178 -7.241 1.00 0.00 O ATOM 596 CB ALA C 45 17.876 21.204 -6.723 1.00 0.00 C ATOM 0 H ALA C 45 18.836 18.649 -7.072 1.00 0.00 H new ATOM 0 HA ALA C 45 18.308 21.029 -8.828 1.00 0.00 H new ATOM 0 HB1 ALA C 45 17.998 22.287 -6.709 1.00 0.00 H new ATOM 0 HB2 ALA C 45 16.821 20.959 -6.844 1.00 0.00 H new ATOM 0 HB3 ALA C 45 18.240 20.786 -5.785 1.00 0.00 H new ATOM 602 N HIS C 46 20.531 22.151 -8.118 1.00 0.00 N ATOM 603 CA HIS C 46 21.956 22.567 -7.989 1.00 0.00 C ATOM 604 C HIS C 46 22.057 23.676 -6.934 1.00 0.00 C ATOM 605 O HIS C 46 21.498 24.745 -7.086 1.00 0.00 O ATOM 606 CB HIS C 46 22.455 23.067 -9.358 1.00 0.00 C ATOM 607 CG HIS C 46 23.526 24.151 -9.188 1.00 0.00 C ATOM 608 ND1 HIS C 46 23.397 25.472 -8.801 1.00 0.00 N flip ATOM 609 CD2 HIS C 46 24.766 23.993 -9.399 1.00 0.00 C flip ATOM 610 CE1 HIS C 46 24.604 26.061 -8.797 1.00 0.00 C flip ATOM 611 NE2 HIS C 46 25.404 25.081 -9.180 1.00 0.00 N flip ATOM 0 H HIS C 46 19.912 22.851 -8.527 1.00 0.00 H new ATOM 0 HA HIS C 46 22.575 21.727 -7.675 1.00 0.00 H new ATOM 0 HB2 HIS C 46 22.864 22.232 -9.927 1.00 0.00 H new ATOM 0 HB3 HIS C 46 21.618 23.464 -9.932 1.00 0.00 H new ATOM 0 HD1 HIS C 46 22.519 25.930 -8.556 1.00 0.00 H new ATOM 0 HD2 HIS C 46 25.222 23.068 -9.719 1.00 0.00 H new ATOM 0 HE1 HIS C 46 24.857 27.080 -8.544 1.00 0.00 H new ATOM 619 N SER C 47 22.766 23.426 -5.867 1.00 0.00 N ATOM 620 CA SER C 47 22.903 24.460 -4.802 1.00 0.00 C ATOM 621 C SER C 47 23.539 25.722 -5.393 1.00 0.00 C ATOM 622 O SER C 47 24.271 25.664 -6.362 1.00 0.00 O ATOM 623 CB SER C 47 23.792 23.920 -3.681 1.00 0.00 C ATOM 624 OG SER C 47 23.129 22.847 -3.028 1.00 0.00 O ATOM 0 H SER C 47 23.256 22.550 -5.687 1.00 0.00 H new ATOM 0 HA SER C 47 21.918 24.703 -4.402 1.00 0.00 H new ATOM 0 HB2 SER C 47 24.744 23.580 -4.089 1.00 0.00 H new ATOM 0 HB3 SER C 47 24.016 24.712 -2.967 1.00 0.00 H new ATOM 0 HG SER C 47 23.698 22.499 -2.310 1.00 0.00 H new ATOM 630 N LEU C 48 23.266 26.860 -4.817 1.00 0.00 N ATOM 631 CA LEU C 48 23.854 28.122 -5.345 1.00 0.00 C ATOM 632 C LEU C 48 25.008 28.563 -4.441 1.00 0.00 C ATOM 633 O LEU C 48 25.426 29.704 -4.464 1.00 0.00 O ATOM 634 CB LEU C 48 22.780 29.213 -5.373 1.00 0.00 C ATOM 635 CG LEU C 48 21.608 28.752 -6.242 1.00 0.00 C ATOM 636 CD1 LEU C 48 20.469 29.768 -6.140 1.00 0.00 C ATOM 637 CD2 LEU C 48 22.065 28.639 -7.697 1.00 0.00 C ATOM 0 H LEU C 48 22.661 26.970 -4.003 1.00 0.00 H new ATOM 0 HA LEU C 48 24.227 27.955 -6.355 1.00 0.00 H new ATOM 0 HB2 LEU C 48 22.435 29.425 -4.361 1.00 0.00 H new ATOM 0 HB3 LEU C 48 23.197 30.139 -5.768 1.00 0.00 H new ATOM 0 HG LEU C 48 21.259 27.779 -5.896 1.00 0.00 H new ATOM 0 HD11 LEU C 48 19.633 29.441 -6.759 1.00 0.00 H new ATOM 0 HD12 LEU C 48 20.144 29.847 -5.103 1.00 0.00 H new ATOM 0 HD13 LEU C 48 20.817 30.741 -6.486 1.00 0.00 H new ATOM 0 HD21 LEU C 48 21.230 28.311 -8.316 1.00 0.00 H new ATOM 0 HD22 LEU C 48 22.415 29.611 -8.045 1.00 0.00 H new ATOM 0 HD23 LEU C 48 22.876 27.915 -7.768 1.00 0.00 H new ATOM 649 N THR C 49 25.525 27.667 -3.646 1.00 0.00 N ATOM 650 CA THR C 49 26.651 28.034 -2.741 1.00 0.00 C ATOM 651 C THR C 49 27.972 27.547 -3.343 1.00 0.00 C ATOM 652 O THR C 49 28.713 28.308 -3.932 1.00 0.00 O ATOM 653 CB THR C 49 26.441 27.375 -1.374 1.00 0.00 C ATOM 654 OG1 THR C 49 25.193 26.698 -1.364 1.00 0.00 O ATOM 655 CG2 THR C 49 26.454 28.446 -0.284 1.00 0.00 C ATOM 0 H THR C 49 25.217 26.697 -3.584 1.00 0.00 H new ATOM 0 HA THR C 49 26.683 29.117 -2.623 1.00 0.00 H new ATOM 0 HB THR C 49 27.242 26.660 -1.186 1.00 0.00 H new ATOM 0 HG1 THR C 49 25.058 26.274 -0.491 1.00 0.00 H new ATOM 0 HG21 THR C 49 26.305 27.977 0.689 1.00 0.00 H new ATOM 0 HG22 THR C 49 27.413 28.964 -0.294 1.00 0.00 H new ATOM 0 HG23 THR C 49 25.653 29.162 -0.468 1.00 0.00 H new ATOM 663 N THR C 50 28.271 26.285 -3.200 1.00 0.00 N ATOM 664 CA THR C 50 29.544 25.754 -3.765 1.00 0.00 C ATOM 665 C THR C 50 29.352 25.451 -5.252 1.00 0.00 C ATOM 666 O THR C 50 30.298 25.201 -5.972 1.00 0.00 O ATOM 667 CB THR C 50 29.934 24.471 -3.030 1.00 0.00 C ATOM 668 OG1 THR C 50 28.870 23.535 -3.119 1.00 0.00 O ATOM 669 CG2 THR C 50 30.216 24.788 -1.561 1.00 0.00 C ATOM 0 H THR C 50 27.690 25.600 -2.717 1.00 0.00 H new ATOM 0 HA THR C 50 30.333 26.496 -3.643 1.00 0.00 H new ATOM 0 HB THR C 50 30.829 24.048 -3.486 1.00 0.00 H new ATOM 0 HG1 THR C 50 29.119 22.711 -2.650 1.00 0.00 H new ATOM 0 HG21 THR C 50 30.494 23.873 -1.038 1.00 0.00 H new ATOM 0 HG22 THR C 50 31.033 25.506 -1.494 1.00 0.00 H new ATOM 0 HG23 THR C 50 29.322 25.211 -1.102 1.00 0.00 H new ATOM 677 N GLY C 51 28.133 25.470 -5.716 1.00 0.00 N ATOM 678 CA GLY C 51 27.881 25.182 -7.155 1.00 0.00 C ATOM 679 C GLY C 51 28.050 23.683 -7.412 1.00 0.00 C ATOM 680 O GLY C 51 28.727 23.275 -8.334 1.00 0.00 O ATOM 0 H GLY C 51 27.301 25.672 -5.161 1.00 0.00 H new ATOM 0 HA2 GLY C 51 26.874 25.498 -7.429 1.00 0.00 H new ATOM 0 HA3 GLY C 51 28.574 25.749 -7.777 1.00 0.00 H new ATOM 684 N GLN C 52 27.442 22.861 -6.602 1.00 0.00 N ATOM 685 CA GLN C 52 27.569 21.390 -6.800 1.00 0.00 C ATOM 686 C GLN C 52 26.190 20.789 -7.079 1.00 0.00 C ATOM 687 O GLN C 52 25.198 21.489 -7.136 1.00 0.00 O ATOM 688 CB GLN C 52 28.153 20.753 -5.536 1.00 0.00 C ATOM 689 CG GLN C 52 29.620 21.162 -5.387 1.00 0.00 C ATOM 690 CD GLN C 52 30.518 19.962 -5.696 1.00 0.00 C ATOM 691 OE1 GLN C 52 31.088 19.875 -6.766 1.00 0.00 O ATOM 692 NE2 GLN C 52 30.668 19.028 -4.799 1.00 0.00 N ATOM 0 H GLN C 52 26.863 23.144 -5.812 1.00 0.00 H new ATOM 0 HA GLN C 52 28.229 21.195 -7.646 1.00 0.00 H new ATOM 0 HB2 GLN C 52 27.586 21.070 -4.661 1.00 0.00 H new ATOM 0 HB3 GLN C 52 28.071 19.668 -5.592 1.00 0.00 H new ATOM 0 HG2 GLN C 52 29.850 21.985 -6.063 1.00 0.00 H new ATOM 0 HG3 GLN C 52 29.808 21.519 -4.375 1.00 0.00 H new ATOM 0 HE21 GLN C 52 30.189 19.102 -3.901 1.00 0.00 H new ATOM 0 HE22 GLN C 52 31.264 18.224 -4.995 1.00 0.00 H new ATOM 701 N THR C 53 26.119 19.499 -7.253 1.00 0.00 N ATOM 702 CA THR C 53 24.804 18.855 -7.528 1.00 0.00 C ATOM 703 C THR C 53 24.177 18.404 -6.207 1.00 0.00 C ATOM 704 O THR C 53 24.859 18.228 -5.217 1.00 0.00 O ATOM 705 CB THR C 53 25.011 17.639 -8.434 1.00 0.00 C ATOM 706 OG1 THR C 53 25.942 17.966 -9.456 1.00 0.00 O ATOM 707 CG2 THR C 53 23.677 17.233 -9.064 1.00 0.00 C ATOM 0 H THR C 53 26.915 18.862 -7.217 1.00 0.00 H new ATOM 0 HA THR C 53 24.144 19.568 -8.023 1.00 0.00 H new ATOM 0 HB THR C 53 25.396 16.808 -7.844 1.00 0.00 H new ATOM 0 HG1 THR C 53 26.077 17.188 -10.036 1.00 0.00 H new ATOM 0 HG21 THR C 53 23.828 16.367 -9.709 1.00 0.00 H new ATOM 0 HG22 THR C 53 22.965 16.981 -8.278 1.00 0.00 H new ATOM 0 HG23 THR C 53 23.287 18.062 -9.655 1.00 0.00 H new ATOM 715 N GLY C 54 22.886 18.216 -6.181 1.00 0.00 N ATOM 716 CA GLY C 54 22.231 17.777 -4.917 1.00 0.00 C ATOM 717 C GLY C 54 20.857 17.178 -5.222 1.00 0.00 C ATOM 718 O GLY C 54 19.855 17.865 -5.220 1.00 0.00 O ATOM 0 H GLY C 54 22.260 18.347 -6.975 1.00 0.00 H new ATOM 0 HA2 GLY C 54 22.854 17.040 -4.411 1.00 0.00 H new ATOM 0 HA3 GLY C 54 22.126 18.624 -4.239 1.00 0.00 H new ATOM 722 N TYR C 55 20.803 15.902 -5.488 1.00 0.00 N ATOM 723 CA TYR C 55 19.499 15.258 -5.789 1.00 0.00 C ATOM 724 C TYR C 55 18.526 15.538 -4.643 1.00 0.00 C ATOM 725 O TYR C 55 18.543 14.874 -3.627 1.00 0.00 O ATOM 726 CB TYR C 55 19.706 13.749 -5.927 1.00 0.00 C ATOM 727 CG TYR C 55 20.338 13.438 -7.285 1.00 0.00 C ATOM 728 CD1 TYR C 55 19.550 13.292 -8.409 1.00 0.00 C ATOM 729 CD2 TYR C 55 21.705 13.295 -7.405 1.00 0.00 C ATOM 730 CE1 TYR C 55 20.121 13.008 -9.632 1.00 0.00 C ATOM 731 CE2 TYR C 55 22.275 13.011 -8.629 1.00 0.00 C ATOM 732 CZ TYR C 55 21.487 12.865 -9.752 1.00 0.00 C ATOM 733 OH TYR C 55 22.058 12.579 -10.975 1.00 0.00 O ATOM 0 H TYR C 55 21.610 15.278 -5.509 1.00 0.00 H new ATOM 0 HA TYR C 55 19.092 15.657 -6.718 1.00 0.00 H new ATOM 0 HB2 TYR C 55 20.348 13.385 -5.124 1.00 0.00 H new ATOM 0 HB3 TYR C 55 18.752 13.231 -5.832 1.00 0.00 H new ATOM 0 HD1 TYR C 55 18.478 13.401 -8.330 1.00 0.00 H new ATOM 0 HD2 TYR C 55 22.334 13.406 -6.534 1.00 0.00 H new ATOM 0 HE1 TYR C 55 19.493 12.897 -10.503 1.00 0.00 H new ATOM 0 HE2 TYR C 55 23.347 12.902 -8.709 1.00 0.00 H new ATOM 0 HH TYR C 55 23.031 12.514 -10.875 1.00 0.00 H new ATOM 743 N ILE C 56 17.677 16.516 -4.798 1.00 0.00 N ATOM 744 CA ILE C 56 16.708 16.832 -3.713 1.00 0.00 C ATOM 745 C ILE C 56 15.424 16.021 -3.930 1.00 0.00 C ATOM 746 O ILE C 56 14.865 16.039 -5.006 1.00 0.00 O ATOM 747 CB ILE C 56 16.378 18.324 -3.738 1.00 0.00 C ATOM 748 CG1 ILE C 56 15.696 18.674 -5.062 1.00 0.00 C ATOM 749 CG2 ILE C 56 17.670 19.133 -3.605 1.00 0.00 C ATOM 750 CD1 ILE C 56 14.192 18.832 -4.835 1.00 0.00 C ATOM 0 H ILE C 56 17.613 17.108 -5.626 1.00 0.00 H new ATOM 0 HA ILE C 56 17.145 16.576 -2.748 1.00 0.00 H new ATOM 0 HB ILE C 56 15.710 18.562 -2.910 1.00 0.00 H new ATOM 0 HG12 ILE C 56 16.113 19.597 -5.465 1.00 0.00 H new ATOM 0 HG13 ILE C 56 15.883 17.892 -5.798 1.00 0.00 H new ATOM 0 HG21 ILE C 56 17.436 20.197 -3.623 1.00 0.00 H new ATOM 0 HG22 ILE C 56 18.160 18.885 -2.663 1.00 0.00 H new ATOM 0 HG23 ILE C 56 18.336 18.894 -4.434 1.00 0.00 H new ATOM 0 HD11 ILE C 56 13.706 19.081 -5.778 1.00 0.00 H new ATOM 0 HD12 ILE C 56 13.782 17.898 -4.451 1.00 0.00 H new ATOM 0 HD13 ILE C 56 14.015 19.630 -4.113 1.00 0.00 H new ATOM 762 N PRO C 57 14.989 15.337 -2.899 1.00 0.00 N ATOM 763 CA PRO C 57 13.768 14.512 -2.964 1.00 0.00 C ATOM 764 C PRO C 57 12.556 15.370 -3.332 1.00 0.00 C ATOM 765 O PRO C 57 12.360 16.441 -2.795 1.00 0.00 O ATOM 766 CB PRO C 57 13.599 13.948 -1.547 1.00 0.00 C ATOM 767 CG PRO C 57 14.807 14.428 -0.702 1.00 0.00 C ATOM 768 CD PRO C 57 15.670 15.333 -1.592 1.00 0.00 C ATOM 0 HA PRO C 57 13.845 13.730 -3.719 1.00 0.00 H new ATOM 0 HB2 PRO C 57 12.663 14.293 -1.107 1.00 0.00 H new ATOM 0 HB3 PRO C 57 13.558 12.859 -1.571 1.00 0.00 H new ATOM 0 HG2 PRO C 57 14.465 14.972 0.179 1.00 0.00 H new ATOM 0 HG3 PRO C 57 15.387 13.577 -0.346 1.00 0.00 H new ATOM 0 HD2 PRO C 57 15.742 16.340 -1.180 1.00 0.00 H new ATOM 0 HD3 PRO C 57 16.687 14.950 -1.677 1.00 0.00 H new ATOM 776 N SER C 58 11.743 14.912 -4.246 1.00 0.00 N ATOM 777 CA SER C 58 10.550 15.711 -4.633 1.00 0.00 C ATOM 778 C SER C 58 9.871 16.194 -3.355 1.00 0.00 C ATOM 779 O SER C 58 9.286 17.259 -3.306 1.00 0.00 O ATOM 780 CB SER C 58 9.581 14.839 -5.432 1.00 0.00 C ATOM 781 OG SER C 58 8.641 14.244 -4.549 1.00 0.00 O ATOM 0 H SER C 58 11.854 14.025 -4.737 1.00 0.00 H new ATOM 0 HA SER C 58 10.847 16.559 -5.250 1.00 0.00 H new ATOM 0 HB2 SER C 58 9.064 15.442 -6.179 1.00 0.00 H new ATOM 0 HB3 SER C 58 10.130 14.066 -5.971 1.00 0.00 H new ATOM 0 HG SER C 58 7.779 14.149 -5.005 1.00 0.00 H new ATOM 787 N ASN C 59 9.949 15.408 -2.316 1.00 0.00 N ATOM 788 CA ASN C 59 9.317 15.799 -1.029 1.00 0.00 C ATOM 789 C ASN C 59 10.392 16.405 -0.125 1.00 0.00 C ATOM 790 O ASN C 59 11.497 15.913 -0.068 1.00 0.00 O ATOM 791 CB ASN C 59 8.710 14.566 -0.356 1.00 0.00 C ATOM 792 CG ASN C 59 7.202 14.765 -0.198 1.00 0.00 C ATOM 793 OD1 ASN C 59 6.745 15.258 0.815 1.00 0.00 O ATOM 794 ND2 ASN C 59 6.402 14.400 -1.163 1.00 0.00 N ATOM 0 H ASN C 59 10.427 14.507 -2.306 1.00 0.00 H new ATOM 0 HA ASN C 59 8.526 16.527 -1.207 1.00 0.00 H new ATOM 0 HB2 ASN C 59 8.910 13.676 -0.953 1.00 0.00 H new ATOM 0 HB3 ASN C 59 9.171 14.406 0.619 1.00 0.00 H new ATOM 0 HD21 ASN C 59 5.395 14.529 -1.067 1.00 0.00 H new ATOM 0 HD22 ASN C 59 6.784 13.986 -2.013 1.00 0.00 H new ATOM 801 N TYR C 60 10.047 17.473 0.557 1.00 0.00 N ATOM 802 CA TYR C 60 10.984 18.192 1.492 1.00 0.00 C ATOM 803 C TYR C 60 11.271 19.582 0.919 1.00 0.00 C ATOM 804 O TYR C 60 11.988 20.368 1.505 1.00 0.00 O ATOM 805 CB TYR C 60 12.314 17.448 1.683 1.00 0.00 C ATOM 806 CG TYR C 60 12.075 16.110 2.394 1.00 0.00 C ATOM 807 CD1 TYR C 60 10.883 15.857 3.040 1.00 0.00 C ATOM 808 CD2 TYR C 60 13.057 15.138 2.401 1.00 0.00 C ATOM 809 CE1 TYR C 60 10.675 14.654 3.684 1.00 0.00 C ATOM 810 CE2 TYR C 60 12.848 13.935 3.044 1.00 0.00 C ATOM 811 CZ TYR C 60 11.657 13.684 3.690 1.00 0.00 C ATOM 812 OH TYR C 60 11.453 12.484 4.340 1.00 0.00 O ATOM 0 H TYR C 60 9.119 17.894 0.503 1.00 0.00 H new ATOM 0 HA TYR C 60 10.501 18.252 2.467 1.00 0.00 H new ATOM 0 HB2 TYR C 60 12.785 17.275 0.715 1.00 0.00 H new ATOM 0 HB3 TYR C 60 13.001 18.061 2.267 1.00 0.00 H new ATOM 0 HD1 TYR C 60 10.106 16.607 3.042 1.00 0.00 H new ATOM 0 HD2 TYR C 60 13.996 15.321 1.899 1.00 0.00 H new ATOM 0 HE1 TYR C 60 9.737 14.470 4.187 1.00 0.00 H new ATOM 0 HE2 TYR C 60 13.624 13.184 3.041 1.00 0.00 H new ATOM 0 HH TYR C 60 10.893 11.902 3.785 1.00 0.00 H new ATOM 822 N VAL C 61 10.710 19.890 -0.223 1.00 0.00 N ATOM 823 CA VAL C 61 10.945 21.225 -0.840 1.00 0.00 C ATOM 824 C VAL C 61 9.632 21.745 -1.428 1.00 0.00 C ATOM 825 O VAL C 61 8.666 21.019 -1.559 1.00 0.00 O ATOM 826 CB VAL C 61 11.999 21.100 -1.948 1.00 0.00 C ATOM 827 CG1 VAL C 61 11.755 19.822 -2.753 1.00 0.00 C ATOM 828 CG2 VAL C 61 11.927 22.306 -2.888 1.00 0.00 C ATOM 0 H VAL C 61 10.098 19.271 -0.754 1.00 0.00 H new ATOM 0 HA VAL C 61 11.305 21.922 -0.083 1.00 0.00 H new ATOM 0 HB VAL C 61 12.986 21.062 -1.486 1.00 0.00 H new ATOM 0 HG11 VAL C 61 12.506 19.738 -3.539 1.00 0.00 H new ATOM 0 HG12 VAL C 61 11.822 18.958 -2.093 1.00 0.00 H new ATOM 0 HG13 VAL C 61 10.763 19.859 -3.202 1.00 0.00 H new ATOM 0 HG21 VAL C 61 12.680 22.204 -3.669 1.00 0.00 H new ATOM 0 HG22 VAL C 61 10.937 22.355 -3.342 1.00 0.00 H new ATOM 0 HG23 VAL C 61 12.112 23.219 -2.323 1.00 0.00 H new ATOM 838 N ALA C 62 9.592 22.996 -1.783 1.00 0.00 N ATOM 839 CA ALA C 62 8.346 23.570 -2.363 1.00 0.00 C ATOM 840 C ALA C 62 8.681 24.875 -3.095 1.00 0.00 C ATOM 841 O ALA C 62 9.467 25.665 -2.612 1.00 0.00 O ATOM 842 CB ALA C 62 7.345 23.856 -1.243 1.00 0.00 C ATOM 0 H ALA C 62 10.370 23.649 -1.697 1.00 0.00 H new ATOM 0 HA ALA C 62 7.910 22.859 -3.065 1.00 0.00 H new ATOM 0 HB1 ALA C 62 6.433 24.276 -1.668 1.00 0.00 H new ATOM 0 HB2 ALA C 62 7.108 22.929 -0.721 1.00 0.00 H new ATOM 0 HB3 ALA C 62 7.779 24.567 -0.540 1.00 0.00 H new ATOM 848 N PRO C 63 8.074 25.065 -4.241 1.00 0.00 N ATOM 849 CA PRO C 63 8.297 26.273 -5.054 1.00 0.00 C ATOM 850 C PRO C 63 7.853 27.518 -4.281 1.00 0.00 C ATOM 851 O PRO C 63 6.710 27.641 -3.887 1.00 0.00 O ATOM 852 CB PRO C 63 7.428 26.075 -6.303 1.00 0.00 C ATOM 853 CG PRO C 63 6.683 24.724 -6.149 1.00 0.00 C ATOM 854 CD PRO C 63 7.122 24.096 -4.817 1.00 0.00 C ATOM 0 HA PRO C 63 9.348 26.415 -5.307 1.00 0.00 H new ATOM 0 HB2 PRO C 63 6.717 26.894 -6.408 1.00 0.00 H new ATOM 0 HB3 PRO C 63 8.045 26.071 -7.202 1.00 0.00 H new ATOM 0 HG2 PRO C 63 5.604 24.879 -6.161 1.00 0.00 H new ATOM 0 HG3 PRO C 63 6.919 24.060 -6.981 1.00 0.00 H new ATOM 0 HD2 PRO C 63 6.271 23.936 -4.155 1.00 0.00 H new ATOM 0 HD3 PRO C 63 7.591 23.125 -4.973 1.00 0.00 H new ATOM 862 N SER C 64 8.747 28.442 -4.061 1.00 0.00 N ATOM 863 CA SER C 64 8.373 29.676 -3.314 1.00 0.00 C ATOM 864 C SER C 64 9.454 30.740 -3.511 1.00 0.00 C ATOM 865 O SER C 64 9.098 31.898 -3.652 1.00 0.00 O ATOM 866 CB SER C 64 8.243 29.348 -1.825 1.00 0.00 C ATOM 867 OG SER C 64 9.537 29.209 -1.256 1.00 0.00 O ATOM 868 OXT SER C 64 10.620 30.379 -3.516 1.00 0.00 O ATOM 0 H SER C 64 9.719 28.396 -4.366 1.00 0.00 H new ATOM 0 HA SER C 64 7.422 30.054 -3.688 1.00 0.00 H new ATOM 0 HB2 SER C 64 7.692 30.138 -1.314 1.00 0.00 H new ATOM 0 HB3 SER C 64 7.675 28.427 -1.693 1.00 0.00 H new ATOM 0 HG SER C 64 9.454 29.001 -0.302 1.00 0.00 H new ATOM 875 N ALA A 71 2.176 16.466 9.451 1.00 0.00 N ATOM 876 CA ALA A 71 3.157 15.766 10.328 1.00 0.00 C ATOM 877 C ALA A 71 3.583 14.453 9.668 1.00 0.00 C ATOM 878 O ALA A 71 3.140 14.118 8.587 1.00 0.00 O ATOM 879 CB ALA A 71 2.510 15.470 11.682 1.00 0.00 C ATOM 0 HA ALA A 71 4.031 16.400 10.475 1.00 0.00 H new ATOM 0 HB1 ALA A 71 3.227 14.958 12.324 1.00 0.00 H new ATOM 0 HB2 ALA A 71 2.205 16.405 12.152 1.00 0.00 H new ATOM 0 HB3 ALA A 71 1.636 14.836 11.537 1.00 0.00 H new ATOM 887 N PHE A 72 4.438 13.707 10.310 1.00 0.00 N ATOM 888 CA PHE A 72 4.890 12.416 9.718 1.00 0.00 C ATOM 889 C PHE A 72 5.575 12.684 8.376 1.00 0.00 C ATOM 890 O PHE A 72 5.060 12.348 7.329 1.00 0.00 O ATOM 891 CB PHE A 72 3.682 11.504 9.500 1.00 0.00 C ATOM 892 CG PHE A 72 3.676 10.402 10.562 1.00 0.00 C ATOM 893 CD1 PHE A 72 4.595 9.371 10.508 1.00 0.00 C ATOM 894 CD2 PHE A 72 2.750 10.425 11.590 1.00 0.00 C ATOM 895 CE1 PHE A 72 4.589 8.379 11.467 1.00 0.00 C ATOM 896 CE2 PHE A 72 2.745 9.432 12.547 1.00 0.00 C ATOM 897 CZ PHE A 72 3.664 8.409 12.486 1.00 0.00 C ATOM 0 H PHE A 72 4.843 13.935 11.218 1.00 0.00 H new ATOM 0 HA PHE A 72 5.593 11.932 10.396 1.00 0.00 H new ATOM 0 HB2 PHE A 72 2.761 12.083 9.557 1.00 0.00 H new ATOM 0 HB3 PHE A 72 3.721 11.063 8.504 1.00 0.00 H new ATOM 0 HD1 PHE A 72 5.322 9.342 9.710 1.00 0.00 H new ATOM 0 HD2 PHE A 72 2.027 11.225 11.643 1.00 0.00 H new ATOM 0 HE1 PHE A 72 5.311 7.578 11.418 1.00 0.00 H new ATOM 0 HE2 PHE A 72 2.019 9.457 13.346 1.00 0.00 H new ATOM 0 HZ PHE A 72 3.659 7.632 13.236 1.00 0.00 H new ATOM 907 N ALA A 73 6.732 13.286 8.398 1.00 0.00 N ATOM 908 CA ALA A 73 7.445 13.573 7.122 1.00 0.00 C ATOM 909 C ALA A 73 7.572 12.276 6.311 1.00 0.00 C ATOM 910 O ALA A 73 7.928 11.250 6.853 1.00 0.00 O ATOM 911 CB ALA A 73 8.841 14.117 7.432 1.00 0.00 C ATOM 0 H ALA A 73 7.214 13.591 9.244 1.00 0.00 H new ATOM 0 HA ALA A 73 6.886 14.311 6.547 1.00 0.00 H new ATOM 0 HB1 ALA A 73 9.365 14.328 6.500 1.00 0.00 H new ATOM 0 HB2 ALA A 73 8.753 15.034 8.014 1.00 0.00 H new ATOM 0 HB3 ALA A 73 9.401 13.377 8.003 1.00 0.00 H new ATOM 917 N PRO A 74 7.278 12.360 5.035 1.00 0.00 N ATOM 918 CA PRO A 74 7.355 11.193 4.134 1.00 0.00 C ATOM 919 C PRO A 74 8.798 10.675 4.054 1.00 0.00 C ATOM 920 O PRO A 74 9.646 11.315 3.465 1.00 0.00 O ATOM 921 CB PRO A 74 6.904 11.724 2.766 1.00 0.00 C ATOM 922 CG PRO A 74 6.583 13.232 2.926 1.00 0.00 C ATOM 923 CD PRO A 74 6.853 13.615 4.389 1.00 0.00 C ATOM 0 HA PRO A 74 6.738 10.363 4.480 1.00 0.00 H new ATOM 0 HB2 PRO A 74 7.687 11.577 2.022 1.00 0.00 H new ATOM 0 HB3 PRO A 74 6.026 11.181 2.416 1.00 0.00 H new ATOM 0 HG2 PRO A 74 7.201 13.828 2.254 1.00 0.00 H new ATOM 0 HG3 PRO A 74 5.544 13.432 2.664 1.00 0.00 H new ATOM 0 HD2 PRO A 74 7.627 14.379 4.461 1.00 0.00 H new ATOM 0 HD3 PRO A 74 5.959 14.021 4.863 1.00 0.00 H new ATOM 931 N PRO A 75 9.036 9.528 4.643 1.00 0.00 N ATOM 932 CA PRO A 75 10.377 8.915 4.645 1.00 0.00 C ATOM 933 C PRO A 75 10.827 8.623 3.210 1.00 0.00 C ATOM 934 O PRO A 75 10.041 8.230 2.372 1.00 0.00 O ATOM 935 CB PRO A 75 10.212 7.609 5.434 1.00 0.00 C ATOM 936 CG PRO A 75 8.730 7.512 5.881 1.00 0.00 C ATOM 937 CD PRO A 75 7.997 8.751 5.344 1.00 0.00 C ATOM 0 HA PRO A 75 11.131 9.567 5.087 1.00 0.00 H new ATOM 0 HB2 PRO A 75 10.482 6.752 4.816 1.00 0.00 H new ATOM 0 HB3 PRO A 75 10.874 7.599 6.300 1.00 0.00 H new ATOM 0 HG2 PRO A 75 8.273 6.601 5.495 1.00 0.00 H new ATOM 0 HG3 PRO A 75 8.661 7.468 6.968 1.00 0.00 H new ATOM 0 HD2 PRO A 75 7.189 8.471 4.668 1.00 0.00 H new ATOM 0 HD3 PRO A 75 7.550 9.328 6.153 1.00 0.00 H new ATOM 945 N LEU A 76 12.086 8.818 2.921 1.00 0.00 N ATOM 946 CA LEU A 76 12.583 8.551 1.542 1.00 0.00 C ATOM 947 C LEU A 76 11.990 7.226 1.039 1.00 0.00 C ATOM 948 O LEU A 76 12.229 6.191 1.629 1.00 0.00 O ATOM 949 CB LEU A 76 14.110 8.445 1.565 1.00 0.00 C ATOM 950 CG LEU A 76 14.704 9.764 2.061 1.00 0.00 C ATOM 951 CD1 LEU A 76 16.219 9.614 2.219 1.00 0.00 C ATOM 952 CD2 LEU A 76 14.406 10.871 1.048 1.00 0.00 C ATOM 0 H LEU A 76 12.790 9.150 3.580 1.00 0.00 H new ATOM 0 HA LEU A 76 12.283 9.363 0.880 1.00 0.00 H new ATOM 0 HB2 LEU A 76 14.419 7.627 2.216 1.00 0.00 H new ATOM 0 HB3 LEU A 76 14.485 8.217 0.567 1.00 0.00 H new ATOM 0 HG LEU A 76 14.261 10.022 3.023 1.00 0.00 H new ATOM 0 HD11 LEU A 76 16.643 10.554 2.573 1.00 0.00 H new ATOM 0 HD12 LEU A 76 16.433 8.825 2.940 1.00 0.00 H new ATOM 0 HD13 LEU A 76 16.661 9.356 1.257 1.00 0.00 H new ATOM 0 HD21 LEU A 76 14.829 11.811 1.401 1.00 0.00 H new ATOM 0 HD22 LEU A 76 14.849 10.613 0.086 1.00 0.00 H new ATOM 0 HD23 LEU A 76 13.327 10.979 0.934 1.00 0.00 H new ATOM 964 N PRO A 77 11.200 7.301 -0.010 1.00 0.00 N ATOM 965 CA PRO A 77 10.557 6.110 -0.605 1.00 0.00 C ATOM 966 C PRO A 77 11.548 5.315 -1.467 1.00 0.00 C ATOM 967 O PRO A 77 11.238 4.929 -2.577 1.00 0.00 O ATOM 968 CB PRO A 77 9.442 6.678 -1.490 1.00 0.00 C ATOM 969 CG PRO A 77 9.650 8.214 -1.575 1.00 0.00 C ATOM 970 CD PRO A 77 10.811 8.578 -0.634 1.00 0.00 C ATOM 0 HA PRO A 77 10.190 5.426 0.160 1.00 0.00 H new ATOM 0 HB2 PRO A 77 9.476 6.231 -2.484 1.00 0.00 H new ATOM 0 HB3 PRO A 77 8.463 6.446 -1.070 1.00 0.00 H new ATOM 0 HG2 PRO A 77 9.878 8.514 -2.598 1.00 0.00 H new ATOM 0 HG3 PRO A 77 8.741 8.740 -1.283 1.00 0.00 H new ATOM 0 HD2 PRO A 77 11.642 9.020 -1.183 1.00 0.00 H new ATOM 0 HD3 PRO A 77 10.500 9.307 0.115 1.00 0.00 H new ATOM 978 N ARG A 78 12.723 5.058 -0.961 1.00 0.00 N ATOM 979 CA ARG A 78 13.740 4.289 -1.740 1.00 0.00 C ATOM 980 C ARG A 78 13.664 4.663 -3.223 1.00 0.00 C ATOM 981 O ARG A 78 13.407 3.829 -4.069 1.00 0.00 O ATOM 982 CB ARG A 78 13.477 2.790 -1.583 1.00 0.00 C ATOM 983 CG ARG A 78 14.651 2.003 -2.172 1.00 0.00 C ATOM 984 CD ARG A 78 14.898 0.748 -1.333 1.00 0.00 C ATOM 985 NE ARG A 78 15.413 -0.342 -2.209 1.00 0.00 N ATOM 986 CZ ARG A 78 16.648 -0.314 -2.635 1.00 0.00 C ATOM 987 NH1 ARG A 78 17.438 0.668 -2.292 1.00 0.00 N ATOM 988 NH2 ARG A 78 17.094 -1.270 -3.403 1.00 0.00 N ATOM 0 H ARG A 78 13.027 5.350 -0.032 1.00 0.00 H new ATOM 0 HA ARG A 78 14.733 4.532 -1.361 1.00 0.00 H new ATOM 0 HB2 ARG A 78 13.350 2.540 -0.530 1.00 0.00 H new ATOM 0 HB3 ARG A 78 12.551 2.517 -2.090 1.00 0.00 H new ATOM 0 HG2 ARG A 78 14.436 1.726 -3.204 1.00 0.00 H new ATOM 0 HG3 ARG A 78 15.547 2.624 -2.189 1.00 0.00 H new ATOM 0 HD2 ARG A 78 15.616 0.962 -0.541 1.00 0.00 H new ATOM 0 HD3 ARG A 78 13.974 0.434 -0.849 1.00 0.00 H new ATOM 0 HE ARG A 78 14.800 -1.112 -2.477 1.00 0.00 H new ATOM 0 HH11 ARG A 78 17.091 1.415 -1.690 1.00 0.00 H new ATOM 0 HH12 ARG A 78 18.402 0.688 -2.626 1.00 0.00 H new ATOM 0 HH21 ARG A 78 16.479 -2.038 -3.670 1.00 0.00 H new ATOM 0 HH22 ARG A 78 18.058 -1.249 -3.736 1.00 0.00 H new ATOM 1002 N ARG A 79 13.881 5.908 -3.547 1.00 0.00 N ATOM 1003 CA ARG A 79 13.819 6.324 -4.975 1.00 0.00 C ATOM 1004 C ARG A 79 12.461 5.933 -5.562 1.00 0.00 C ATOM 1005 O ARG A 79 12.439 5.099 -6.453 1.00 0.00 O ATOM 1006 CB ARG A 79 14.933 5.626 -5.758 1.00 0.00 C ATOM 1007 CG ARG A 79 16.292 6.047 -5.195 1.00 0.00 C ATOM 1008 CD ARG A 79 16.514 7.536 -5.467 1.00 0.00 C ATOM 1009 NE ARG A 79 17.959 7.862 -5.297 1.00 0.00 N ATOM 1010 CZ ARG A 79 18.353 9.107 -5.289 1.00 0.00 C ATOM 1011 NH1 ARG A 79 17.484 10.072 -5.427 1.00 0.00 N ATOM 1012 NH2 ARG A 79 19.619 9.388 -5.142 1.00 0.00 N ATOM 1013 OXT ARG A 79 11.465 6.476 -5.113 1.00 0.00 O ATOM 0 H ARG A 79 14.098 6.653 -2.885 1.00 0.00 H new ATOM 0 HA ARG A 79 13.947 7.404 -5.045 1.00 0.00 H new ATOM 0 HB2 ARG A 79 14.818 4.544 -5.689 1.00 0.00 H new ATOM 0 HB3 ARG A 79 14.868 5.887 -6.814 1.00 0.00 H new ATOM 0 HG2 ARG A 79 16.331 5.852 -4.123 1.00 0.00 H new ATOM 0 HG3 ARG A 79 17.087 5.459 -5.655 1.00 0.00 H new ATOM 0 HD2 ARG A 79 16.191 7.784 -6.478 1.00 0.00 H new ATOM 0 HD3 ARG A 79 15.912 8.135 -4.784 1.00 0.00 H new ATOM 0 HE ARG A 79 18.641 7.111 -5.187 1.00 0.00 H new ATOM 0 HH11 ARG A 79 16.494 9.854 -5.541 1.00 0.00 H new ATOM 0 HH12 ARG A 79 17.795 11.043 -5.420 1.00 0.00 H new ATOM 0 HH21 ARG A 79 20.299 8.636 -5.034 1.00 0.00 H new ATOM 0 HH22 ARG A 79 19.928 10.360 -5.136 1.00 0.00 H new