USER MOD reduce.3.24.130724 H: found=0, std=0, add=498, rem=0, adj=16 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= -0.397 USER MOD Set 1.2: C 25 SER OG : rot 180:sc= 0.469 USER MOD Single : C 9 THR OG1 : rot 9:sc= 0.851 USER MOD Single : C 14 TYR OH : rot 180:sc= 0 USER MOD Single : C 16 TYR OH : rot 78:sc= 1.2 USER MOD Single : C 20 THR OG1 : rot -71:sc= -0.107 USER MOD Single : C 22 THR OG1 : rot 180:sc= 0 USER MOD Single : C 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 33 GLN : amide:sc= -0.222 K(o=-0.22,f=-1.1) USER MOD Single : C 36 ASN : amide:sc= -1.25 K(o=-1.2,f=-3.3!) USER MOD Single : C 37 ASN : amide:sc= -2.63! C(o=-2.6!,f=-9.2!) USER MOD Single : C 38 THR OG1 : rot 180:sc= -0.733! USER MOD Single : C 46 HIS : no HD1:sc= -6.11! C(o=-6.1!,f=-4.5!) USER MOD Single : C 47 SER OG : rot 180:sc= 0 USER MOD Single : C 49 THR OG1 : rot 180:sc= 0 USER MOD Single : C 50 THR OG1 : rot 180:sc= 0 USER MOD Single : C 52 GLN : amide:sc= -0.713 K(o=-0.71,f=-0.015) 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 -118:sc= 1.24 USER MOD Single : C 59 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : C 60 TYR OH : rot -44:sc= 1.18 USER MOD Single : C 64 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR C 9 13.158 30.075 -7.875 1.00 0.00 N ATOM 2 CA THR C 9 13.986 29.100 -7.110 1.00 0.00 C ATOM 3 C THR C 9 13.097 28.339 -6.124 1.00 0.00 C ATOM 4 O THR C 9 12.006 28.766 -5.800 1.00 0.00 O ATOM 5 CB THR C 9 15.075 29.850 -6.340 1.00 0.00 C ATOM 6 OG1 THR C 9 15.318 31.102 -6.966 1.00 0.00 O ATOM 7 CG2 THR C 9 16.361 29.022 -6.335 1.00 0.00 C ATOM 0 HA THR C 9 14.449 28.395 -7.801 1.00 0.00 H new ATOM 0 HB THR C 9 14.747 30.014 -5.313 1.00 0.00 H new ATOM 0 HG1 THR C 9 14.638 31.262 -7.653 1.00 0.00 H new ATOM 0 HG21 THR C 9 17.136 29.557 -5.786 1.00 0.00 H new ATOM 0 HG22 THR C 9 16.174 28.062 -5.855 1.00 0.00 H new ATOM 0 HG23 THR C 9 16.691 28.856 -7.361 1.00 0.00 H new ATOM 15 N PHE C 10 13.556 27.215 -5.645 1.00 0.00 N ATOM 16 CA PHE C 10 12.737 26.428 -4.681 1.00 0.00 C ATOM 17 C PHE C 10 13.315 26.585 -3.273 1.00 0.00 C ATOM 18 O PHE C 10 14.431 27.032 -3.095 1.00 0.00 O ATOM 19 CB PHE C 10 12.761 24.951 -5.078 1.00 0.00 C ATOM 20 CG PHE C 10 11.665 24.682 -6.111 1.00 0.00 C ATOM 21 CD1 PHE C 10 11.403 25.601 -7.112 1.00 0.00 C ATOM 22 CD2 PHE C 10 10.923 23.516 -6.059 1.00 0.00 C ATOM 23 CE1 PHE C 10 10.416 25.356 -8.044 1.00 0.00 C ATOM 24 CE2 PHE C 10 9.936 23.272 -6.991 1.00 0.00 C ATOM 25 CZ PHE C 10 9.683 24.193 -7.984 1.00 0.00 C ATOM 0 H PHE C 10 14.462 26.808 -5.879 1.00 0.00 H new ATOM 0 HA PHE C 10 11.710 26.793 -4.696 1.00 0.00 H new ATOM 0 HB2 PHE C 10 13.736 24.690 -5.490 1.00 0.00 H new ATOM 0 HB3 PHE C 10 12.609 24.325 -4.199 1.00 0.00 H new ATOM 0 HD1 PHE C 10 11.975 26.516 -7.164 1.00 0.00 H new ATOM 0 HD2 PHE C 10 11.118 22.791 -5.283 1.00 0.00 H new ATOM 0 HE1 PHE C 10 10.218 26.078 -8.822 1.00 0.00 H new ATOM 0 HE2 PHE C 10 9.361 22.359 -6.942 1.00 0.00 H new ATOM 0 HZ PHE C 10 8.910 24.002 -8.714 1.00 0.00 H new ATOM 35 N VAL C 11 12.563 26.220 -2.270 1.00 0.00 N ATOM 36 CA VAL C 11 13.068 26.348 -0.874 1.00 0.00 C ATOM 37 C VAL C 11 12.884 25.017 -0.144 1.00 0.00 C ATOM 38 O VAL C 11 11.859 24.373 -0.259 1.00 0.00 O ATOM 39 CB VAL C 11 12.286 27.444 -0.147 1.00 0.00 C ATOM 40 CG1 VAL C 11 12.993 27.790 1.165 1.00 0.00 C ATOM 41 CG2 VAL C 11 12.214 28.691 -1.032 1.00 0.00 C ATOM 0 H VAL C 11 11.621 25.839 -2.358 1.00 0.00 H new ATOM 0 HA VAL C 11 14.126 26.610 -0.891 1.00 0.00 H new ATOM 0 HB VAL C 11 11.277 27.091 0.066 1.00 0.00 H new ATOM 0 HG11 VAL C 11 12.436 28.571 1.683 1.00 0.00 H new ATOM 0 HG12 VAL C 11 13.045 26.902 1.795 1.00 0.00 H new ATOM 0 HG13 VAL C 11 14.002 28.144 0.952 1.00 0.00 H new ATOM 0 HG21 VAL C 11 11.657 29.472 -0.515 1.00 0.00 H new ATOM 0 HG22 VAL C 11 13.223 29.045 -1.245 1.00 0.00 H new ATOM 0 HG23 VAL C 11 11.711 28.445 -1.967 1.00 0.00 H new ATOM 51 N ALA C 12 13.866 24.599 0.605 1.00 0.00 N ATOM 52 CA ALA C 12 13.743 23.309 1.341 1.00 0.00 C ATOM 53 C ALA C 12 12.677 23.439 2.430 1.00 0.00 C ATOM 54 O ALA C 12 12.764 24.280 3.302 1.00 0.00 O ATOM 55 CB ALA C 12 15.086 22.958 1.984 1.00 0.00 C ATOM 0 H ALA C 12 14.748 25.094 0.740 1.00 0.00 H new ATOM 0 HA ALA C 12 13.455 22.522 0.644 1.00 0.00 H new ATOM 0 HB1 ALA C 12 14.996 22.015 2.522 1.00 0.00 H new ATOM 0 HB2 ALA C 12 15.847 22.863 1.209 1.00 0.00 H new ATOM 0 HB3 ALA C 12 15.374 23.747 2.679 1.00 0.00 H new ATOM 61 N LEU C 13 11.669 22.612 2.385 1.00 0.00 N ATOM 62 CA LEU C 13 10.597 22.683 3.415 1.00 0.00 C ATOM 63 C LEU C 13 10.782 21.553 4.427 1.00 0.00 C ATOM 64 O LEU C 13 10.190 21.555 5.488 1.00 0.00 O ATOM 65 CB LEU C 13 9.231 22.538 2.739 1.00 0.00 C ATOM 66 CG LEU C 13 9.029 23.685 1.747 1.00 0.00 C ATOM 67 CD1 LEU C 13 8.586 23.119 0.397 1.00 0.00 C ATOM 68 CD2 LEU C 13 7.954 24.635 2.277 1.00 0.00 C ATOM 0 H LEU C 13 11.542 21.889 1.677 1.00 0.00 H new ATOM 0 HA LEU C 13 10.652 23.643 3.928 1.00 0.00 H new ATOM 0 HB2 LEU C 13 9.169 21.580 2.222 1.00 0.00 H new ATOM 0 HB3 LEU C 13 8.440 22.547 3.488 1.00 0.00 H new ATOM 0 HG LEU C 13 9.966 24.228 1.625 1.00 0.00 H new ATOM 0 HD11 LEU C 13 8.442 23.936 -0.310 1.00 0.00 H new ATOM 0 HD12 LEU C 13 9.351 22.441 0.018 1.00 0.00 H new ATOM 0 HD13 LEU C 13 7.649 22.576 0.520 1.00 0.00 H new ATOM 0 HD21 LEU C 13 7.810 25.452 1.570 1.00 0.00 H new ATOM 0 HD22 LEU C 13 7.017 24.092 2.400 1.00 0.00 H new ATOM 0 HD23 LEU C 13 8.268 25.039 3.240 1.00 0.00 H new ATOM 80 N TYR C 14 11.599 20.584 4.110 1.00 0.00 N ATOM 81 CA TYR C 14 11.813 19.457 5.060 1.00 0.00 C ATOM 82 C TYR C 14 13.309 19.183 5.220 1.00 0.00 C ATOM 83 O TYR C 14 14.044 19.105 4.255 1.00 0.00 O ATOM 84 CB TYR C 14 11.113 18.213 4.523 1.00 0.00 C ATOM 85 CG TYR C 14 9.619 18.509 4.429 1.00 0.00 C ATOM 86 CD1 TYR C 14 9.157 19.472 3.562 1.00 0.00 C ATOM 87 CD2 TYR C 14 8.721 17.842 5.229 1.00 0.00 C ATOM 88 CE1 TYR C 14 7.816 19.772 3.493 1.00 0.00 C ATOM 89 CE2 TYR C 14 7.373 18.136 5.163 1.00 0.00 C ATOM 90 CZ TYR C 14 6.909 19.105 4.293 1.00 0.00 C ATOM 91 OH TYR C 14 5.563 19.400 4.226 1.00 0.00 O ATOM 0 H TYR C 14 12.125 20.525 3.238 1.00 0.00 H new ATOM 0 HA TYR C 14 11.400 19.719 6.034 1.00 0.00 H new ATOM 0 HB2 TYR C 14 11.510 17.947 3.543 1.00 0.00 H new ATOM 0 HB3 TYR C 14 11.291 17.363 5.181 1.00 0.00 H new ATOM 0 HD1 TYR C 14 9.855 19.999 2.928 1.00 0.00 H new ATOM 0 HD2 TYR C 14 9.072 17.084 5.913 1.00 0.00 H new ATOM 0 HE1 TYR C 14 7.471 20.533 2.809 1.00 0.00 H new ATOM 0 HE2 TYR C 14 6.677 17.605 5.795 1.00 0.00 H new ATOM 0 HH TYR C 14 5.072 18.834 4.858 1.00 0.00 H new ATOM 101 N ASP C 15 13.768 19.036 6.433 1.00 0.00 N ATOM 102 CA ASP C 15 15.216 18.767 6.656 1.00 0.00 C ATOM 103 C ASP C 15 15.611 17.483 5.923 1.00 0.00 C ATOM 104 O ASP C 15 15.502 16.395 6.454 1.00 0.00 O ATOM 105 CB ASP C 15 15.479 18.601 8.154 1.00 0.00 C ATOM 106 CG ASP C 15 16.707 19.421 8.550 1.00 0.00 C ATOM 107 OD1 ASP C 15 16.706 20.614 8.294 1.00 0.00 O ATOM 108 OD2 ASP C 15 17.629 18.844 9.104 1.00 0.00 O ATOM 0 H ASP C 15 13.202 19.091 7.280 1.00 0.00 H new ATOM 0 HA ASP C 15 15.805 19.601 6.275 1.00 0.00 H new ATOM 0 HB2 ASP C 15 14.610 18.929 8.725 1.00 0.00 H new ATOM 0 HB3 ASP C 15 15.639 17.549 8.392 1.00 0.00 H new ATOM 113 N TYR C 16 16.070 17.601 4.707 1.00 0.00 N ATOM 114 CA TYR C 16 16.470 16.386 3.943 1.00 0.00 C ATOM 115 C TYR C 16 17.872 15.945 4.369 1.00 0.00 C ATOM 116 O TYR C 16 18.866 16.465 3.902 1.00 0.00 O ATOM 117 CB TYR C 16 16.474 16.704 2.446 1.00 0.00 C ATOM 118 CG TYR C 16 17.036 15.507 1.676 1.00 0.00 C ATOM 119 CD1 TYR C 16 16.613 14.226 1.967 1.00 0.00 C ATOM 120 CD2 TYR C 16 17.974 15.691 0.682 1.00 0.00 C ATOM 121 CE1 TYR C 16 17.119 13.147 1.274 1.00 0.00 C ATOM 122 CE2 TYR C 16 18.482 14.611 -0.011 1.00 0.00 C ATOM 123 CZ TYR C 16 18.058 13.330 0.279 1.00 0.00 C ATOM 124 OH TYR C 16 18.566 12.251 -0.414 1.00 0.00 O ATOM 0 H TYR C 16 16.185 18.485 4.211 1.00 0.00 H new ATOM 0 HA TYR C 16 15.760 15.584 4.147 1.00 0.00 H new ATOM 0 HB2 TYR C 16 15.462 16.926 2.107 1.00 0.00 H new ATOM 0 HB3 TYR C 16 17.077 17.591 2.253 1.00 0.00 H new ATOM 0 HD1 TYR C 16 15.880 14.068 2.744 1.00 0.00 H new ATOM 0 HD2 TYR C 16 18.314 16.688 0.444 1.00 0.00 H new ATOM 0 HE1 TYR C 16 16.778 12.150 1.512 1.00 0.00 H new ATOM 0 HE2 TYR C 16 19.217 14.769 -0.786 1.00 0.00 H new ATOM 0 HH TYR C 16 17.915 11.958 -1.085 1.00 0.00 H new ATOM 134 N GLU C 17 17.958 14.988 5.251 1.00 0.00 N ATOM 135 CA GLU C 17 19.294 14.512 5.706 1.00 0.00 C ATOM 136 C GLU C 17 19.731 13.336 4.829 1.00 0.00 C ATOM 137 O GLU C 17 19.751 12.200 5.262 1.00 0.00 O ATOM 138 CB GLU C 17 19.206 14.059 7.164 1.00 0.00 C ATOM 139 CG GLU C 17 20.036 14.997 8.042 1.00 0.00 C ATOM 140 CD GLU C 17 19.184 15.486 9.214 1.00 0.00 C ATOM 141 OE1 GLU C 17 18.303 14.751 9.628 1.00 0.00 O ATOM 142 OE2 GLU C 17 19.425 16.589 9.677 1.00 0.00 O ATOM 0 H GLU C 17 17.161 14.515 5.676 1.00 0.00 H new ATOM 0 HA GLU C 17 20.020 15.321 5.625 1.00 0.00 H new ATOM 0 HB2 GLU C 17 18.167 14.060 7.494 1.00 0.00 H new ATOM 0 HB3 GLU C 17 19.570 13.036 7.261 1.00 0.00 H new ATOM 0 HG2 GLU C 17 20.920 14.478 8.413 1.00 0.00 H new ATOM 0 HG3 GLU C 17 20.387 15.846 7.455 1.00 0.00 H new ATOM 149 N SER C 18 20.079 13.601 3.600 1.00 0.00 N ATOM 150 CA SER C 18 20.514 12.503 2.694 1.00 0.00 C ATOM 151 C SER C 18 21.453 11.558 3.446 1.00 0.00 C ATOM 152 O SER C 18 22.125 11.947 4.380 1.00 0.00 O ATOM 153 CB SER C 18 21.245 13.099 1.490 1.00 0.00 C ATOM 154 OG SER C 18 21.731 14.392 1.823 1.00 0.00 O ATOM 0 H SER C 18 20.081 14.532 3.184 1.00 0.00 H new ATOM 0 HA SER C 18 19.641 11.947 2.352 1.00 0.00 H new ATOM 0 HB2 SER C 18 22.072 12.452 1.197 1.00 0.00 H new ATOM 0 HB3 SER C 18 20.571 13.161 0.636 1.00 0.00 H new ATOM 0 HG SER C 18 22.492 14.308 2.435 1.00 0.00 H new ATOM 160 N ARG C 19 21.502 10.318 3.046 1.00 0.00 N ATOM 161 CA ARG C 19 22.396 9.347 3.737 1.00 0.00 C ATOM 162 C ARG C 19 23.533 8.942 2.797 1.00 0.00 C ATOM 163 O ARG C 19 24.475 8.286 3.194 1.00 0.00 O ATOM 164 CB ARG C 19 21.593 8.106 4.132 1.00 0.00 C ATOM 165 CG ARG C 19 20.378 8.529 4.963 1.00 0.00 C ATOM 166 CD ARG C 19 19.191 8.790 4.033 1.00 0.00 C ATOM 167 NE ARG C 19 17.944 8.264 4.658 1.00 0.00 N ATOM 168 CZ ARG C 19 17.765 6.977 4.781 1.00 0.00 C ATOM 169 NH1 ARG C 19 18.678 6.143 4.356 1.00 0.00 N ATOM 170 NH2 ARG C 19 16.673 6.520 5.329 1.00 0.00 N ATOM 0 H ARG C 19 20.962 9.935 2.270 1.00 0.00 H new ATOM 0 HA ARG C 19 22.812 9.810 4.632 1.00 0.00 H new ATOM 0 HB2 ARG C 19 21.269 7.570 3.240 1.00 0.00 H new ATOM 0 HB3 ARG C 19 22.219 7.422 4.705 1.00 0.00 H new ATOM 0 HG2 ARG C 19 20.126 7.749 5.682 1.00 0.00 H new ATOM 0 HG3 ARG C 19 20.610 9.427 5.535 1.00 0.00 H new ATOM 0 HD2 ARG C 19 19.092 9.859 3.843 1.00 0.00 H new ATOM 0 HD3 ARG C 19 19.358 8.309 3.069 1.00 0.00 H new ATOM 0 HE ARG C 19 17.229 8.911 4.990 1.00 0.00 H new ATOM 0 HH11 ARG C 19 19.533 6.498 3.927 1.00 0.00 H new ATOM 0 HH12 ARG C 19 18.535 5.138 4.453 1.00 0.00 H new ATOM 0 HH21 ARG C 19 15.959 7.168 5.661 1.00 0.00 H new ATOM 0 HH22 ARG C 19 16.533 5.514 5.425 1.00 0.00 H new ATOM 184 N THR C 20 23.452 9.327 1.551 1.00 0.00 N ATOM 185 CA THR C 20 24.528 8.962 0.588 1.00 0.00 C ATOM 186 C THR C 20 25.366 10.202 0.265 1.00 0.00 C ATOM 187 O THR C 20 24.966 11.319 0.527 1.00 0.00 O ATOM 188 CB THR C 20 23.900 8.421 -0.699 1.00 0.00 C ATOM 189 OG1 THR C 20 23.080 9.426 -1.282 1.00 0.00 O ATOM 190 CG2 THR C 20 23.051 7.191 -0.375 1.00 0.00 C ATOM 0 H THR C 20 22.688 9.878 1.160 1.00 0.00 H new ATOM 0 HA THR C 20 25.166 8.197 1.030 1.00 0.00 H new ATOM 0 HB THR C 20 24.687 8.142 -1.400 1.00 0.00 H new ATOM 0 HG1 THR C 20 22.276 9.550 -0.736 1.00 0.00 H new ATOM 0 HG21 THR C 20 22.604 6.806 -1.291 1.00 0.00 H new ATOM 0 HG22 THR C 20 23.681 6.422 0.073 1.00 0.00 H new ATOM 0 HG23 THR C 20 22.263 7.467 0.325 1.00 0.00 H new ATOM 198 N GLU C 21 26.526 10.013 -0.304 1.00 0.00 N ATOM 199 CA GLU C 21 27.388 11.178 -0.643 1.00 0.00 C ATOM 200 C GLU C 21 27.063 11.659 -2.058 1.00 0.00 C ATOM 201 O GLU C 21 27.845 12.344 -2.687 1.00 0.00 O ATOM 202 CB GLU C 21 28.857 10.761 -0.572 1.00 0.00 C ATOM 203 CG GLU C 21 29.400 11.043 0.831 1.00 0.00 C ATOM 204 CD GLU C 21 30.781 11.692 0.722 1.00 0.00 C ATOM 205 OE1 GLU C 21 30.877 12.733 0.091 1.00 0.00 O ATOM 206 OE2 GLU C 21 31.718 11.137 1.271 1.00 0.00 O ATOM 0 H GLU C 21 26.913 9.101 -0.548 1.00 0.00 H new ATOM 0 HA GLU C 21 27.204 11.985 0.066 1.00 0.00 H new ATOM 0 HB2 GLU C 21 28.957 9.701 -0.806 1.00 0.00 H new ATOM 0 HB3 GLU C 21 29.438 11.308 -1.315 1.00 0.00 H new ATOM 0 HG2 GLU C 21 28.719 11.701 1.371 1.00 0.00 H new ATOM 0 HG3 GLU C 21 29.466 10.116 1.400 1.00 0.00 H new ATOM 213 N THR C 22 25.915 11.304 -2.568 1.00 0.00 N ATOM 214 CA THR C 22 25.543 11.741 -3.942 1.00 0.00 C ATOM 215 C THR C 22 24.447 12.805 -3.861 1.00 0.00 C ATOM 216 O THR C 22 24.115 13.443 -4.841 1.00 0.00 O ATOM 217 CB THR C 22 25.029 10.539 -4.738 1.00 0.00 C ATOM 218 OG1 THR C 22 26.040 9.541 -4.791 1.00 0.00 O ATOM 219 CG2 THR C 22 24.670 10.980 -6.158 1.00 0.00 C ATOM 0 H THR C 22 25.219 10.730 -2.092 1.00 0.00 H new ATOM 0 HA THR C 22 26.418 12.159 -4.439 1.00 0.00 H new ATOM 0 HB THR C 22 24.142 10.133 -4.251 1.00 0.00 H new ATOM 0 HG1 THR C 22 25.712 8.770 -5.299 1.00 0.00 H new ATOM 0 HG21 THR C 22 24.304 10.123 -6.724 1.00 0.00 H new ATOM 0 HG22 THR C 22 23.895 11.745 -6.116 1.00 0.00 H new ATOM 0 HG23 THR C 22 25.555 11.387 -6.647 1.00 0.00 H new ATOM 227 N ASP C 23 23.883 13.005 -2.702 1.00 0.00 N ATOM 228 CA ASP C 23 22.808 14.029 -2.563 1.00 0.00 C ATOM 229 C ASP C 23 23.302 15.170 -1.671 1.00 0.00 C ATOM 230 O ASP C 23 24.063 14.964 -0.746 1.00 0.00 O ATOM 231 CB ASP C 23 21.566 13.391 -1.933 1.00 0.00 C ATOM 232 CG ASP C 23 21.487 11.914 -2.329 1.00 0.00 C ATOM 233 OD1 ASP C 23 21.693 11.623 -3.495 1.00 0.00 O ATOM 234 OD2 ASP C 23 21.222 11.101 -1.459 1.00 0.00 O ATOM 0 H ASP C 23 24.119 12.504 -1.845 1.00 0.00 H new ATOM 0 HA ASP C 23 22.553 14.420 -3.548 1.00 0.00 H new ATOM 0 HB2 ASP C 23 21.608 13.485 -0.848 1.00 0.00 H new ATOM 0 HB3 ASP C 23 20.669 13.915 -2.264 1.00 0.00 H new ATOM 239 N LEU C 24 22.877 16.374 -1.942 1.00 0.00 N ATOM 240 CA LEU C 24 23.322 17.527 -1.110 1.00 0.00 C ATOM 241 C LEU C 24 22.346 17.730 0.052 1.00 0.00 C ATOM 242 O LEU C 24 21.390 18.473 -0.050 1.00 0.00 O ATOM 243 CB LEU C 24 23.360 18.792 -1.970 1.00 0.00 C ATOM 244 CG LEU C 24 24.649 18.808 -2.793 1.00 0.00 C ATOM 245 CD1 LEU C 24 24.465 19.711 -4.014 1.00 0.00 C ATOM 246 CD2 LEU C 24 25.797 19.341 -1.933 1.00 0.00 C ATOM 0 H LEU C 24 22.241 16.609 -2.704 1.00 0.00 H new ATOM 0 HA LEU C 24 24.318 17.324 -0.715 1.00 0.00 H new ATOM 0 HB2 LEU C 24 22.493 18.822 -2.630 1.00 0.00 H new ATOM 0 HB3 LEU C 24 23.309 19.677 -1.336 1.00 0.00 H new ATOM 0 HG LEU C 24 24.881 17.795 -3.122 1.00 0.00 H new ATOM 0 HD11 LEU C 24 25.384 19.722 -4.600 1.00 0.00 H new ATOM 0 HD12 LEU C 24 23.648 19.331 -4.627 1.00 0.00 H new ATOM 0 HD13 LEU C 24 24.232 20.724 -3.686 1.00 0.00 H new ATOM 0 HD21 LEU C 24 26.716 19.353 -2.519 1.00 0.00 H new ATOM 0 HD22 LEU C 24 25.565 20.353 -1.603 1.00 0.00 H new ATOM 0 HD23 LEU C 24 25.929 18.697 -1.063 1.00 0.00 H new ATOM 258 N SER C 25 22.580 17.075 1.156 1.00 0.00 N ATOM 259 CA SER C 25 21.664 17.231 2.322 1.00 0.00 C ATOM 260 C SER C 25 21.348 18.715 2.527 1.00 0.00 C ATOM 261 O SER C 25 22.229 19.551 2.528 1.00 0.00 O ATOM 262 CB SER C 25 22.334 16.678 3.583 1.00 0.00 C ATOM 263 OG SER C 25 23.490 15.936 3.223 1.00 0.00 O ATOM 0 H SER C 25 23.364 16.439 1.301 1.00 0.00 H new ATOM 0 HA SER C 25 20.742 16.682 2.131 1.00 0.00 H new ATOM 0 HB2 SER C 25 22.608 17.496 4.250 1.00 0.00 H new ATOM 0 HB3 SER C 25 21.637 16.042 4.128 1.00 0.00 H new ATOM 0 HG SER C 25 23.918 15.584 4.031 1.00 0.00 H new ATOM 269 N PHE C 26 20.098 19.048 2.699 1.00 0.00 N ATOM 270 CA PHE C 26 19.732 20.478 2.903 1.00 0.00 C ATOM 271 C PHE C 26 18.706 20.587 4.033 1.00 0.00 C ATOM 272 O PHE C 26 17.746 19.844 4.086 1.00 0.00 O ATOM 273 CB PHE C 26 19.131 21.046 1.615 1.00 0.00 C ATOM 274 CG PHE C 26 17.918 20.215 1.201 1.00 0.00 C ATOM 275 CD1 PHE C 26 16.686 20.453 1.777 1.00 0.00 C ATOM 276 CD2 PHE C 26 18.034 19.222 0.245 1.00 0.00 C ATOM 277 CE1 PHE C 26 15.584 19.710 1.404 1.00 0.00 C ATOM 278 CE2 PHE C 26 16.933 18.479 -0.128 1.00 0.00 C ATOM 279 CZ PHE C 26 15.707 18.723 0.452 1.00 0.00 C ATOM 0 H PHE C 26 19.316 18.393 2.707 1.00 0.00 H new ATOM 0 HA PHE C 26 20.626 21.044 3.165 1.00 0.00 H new ATOM 0 HB2 PHE C 26 18.837 22.085 1.767 1.00 0.00 H new ATOM 0 HB3 PHE C 26 19.877 21.039 0.820 1.00 0.00 H new ATOM 0 HD1 PHE C 26 16.584 21.226 2.525 1.00 0.00 H new ATOM 0 HD2 PHE C 26 18.993 19.027 -0.212 1.00 0.00 H new ATOM 0 HE1 PHE C 26 14.624 19.903 1.860 1.00 0.00 H new ATOM 0 HE2 PHE C 26 17.032 17.705 -0.875 1.00 0.00 H new ATOM 0 HZ PHE C 26 14.845 18.141 0.161 1.00 0.00 H new ATOM 289 N LYS C 27 18.902 21.506 4.937 1.00 0.00 N ATOM 290 CA LYS C 27 17.939 21.662 6.064 1.00 0.00 C ATOM 291 C LYS C 27 16.816 22.612 5.645 1.00 0.00 C ATOM 292 O LYS C 27 16.797 23.117 4.540 1.00 0.00 O ATOM 293 CB LYS C 27 18.666 22.237 7.281 1.00 0.00 C ATOM 294 CG LYS C 27 19.866 21.352 7.623 1.00 0.00 C ATOM 295 CD LYS C 27 21.161 22.103 7.303 1.00 0.00 C ATOM 296 CE LYS C 27 21.791 22.611 8.602 1.00 0.00 C ATOM 297 NZ LYS C 27 23.211 22.986 8.352 1.00 0.00 N ATOM 0 H LYS C 27 19.688 22.156 4.945 1.00 0.00 H new ATOM 0 HA LYS C 27 17.517 20.690 6.319 1.00 0.00 H new ATOM 0 HB2 LYS C 27 18.998 23.254 7.073 1.00 0.00 H new ATOM 0 HB3 LYS C 27 17.987 22.292 8.132 1.00 0.00 H new ATOM 0 HG2 LYS C 27 19.842 21.080 8.678 1.00 0.00 H new ATOM 0 HG3 LYS C 27 19.821 20.424 7.053 1.00 0.00 H new ATOM 0 HD2 LYS C 27 21.856 21.445 6.782 1.00 0.00 H new ATOM 0 HD3 LYS C 27 20.953 22.939 6.636 1.00 0.00 H new ATOM 0 HE2 LYS C 27 21.237 23.472 8.975 1.00 0.00 H new ATOM 0 HE3 LYS C 27 21.737 21.840 9.371 1.00 0.00 H new ATOM 0 HZ1 LYS C 27 23.639 23.331 9.235 1.00 0.00 H new ATOM 0 HZ2 LYS C 27 23.736 22.154 8.015 1.00 0.00 H new ATOM 0 HZ3 LYS C 27 23.251 23.735 7.632 1.00 0.00 H new ATOM 311 N LYS C 28 15.877 22.858 6.518 1.00 0.00 N ATOM 312 CA LYS C 28 14.757 23.776 6.167 1.00 0.00 C ATOM 313 C LYS C 28 15.247 25.224 6.230 1.00 0.00 C ATOM 314 O LYS C 28 15.925 25.620 7.155 1.00 0.00 O ATOM 315 CB LYS C 28 13.609 23.583 7.160 1.00 0.00 C ATOM 316 CG LYS C 28 12.584 24.705 6.978 1.00 0.00 C ATOM 317 CD LYS C 28 11.314 24.367 7.762 1.00 0.00 C ATOM 318 CE LYS C 28 10.734 25.646 8.369 1.00 0.00 C ATOM 319 NZ LYS C 28 10.345 25.392 9.785 1.00 0.00 N ATOM 0 H LYS C 28 15.837 22.463 7.458 1.00 0.00 H new ATOM 0 HA LYS C 28 14.407 23.554 5.159 1.00 0.00 H new ATOM 0 HB2 LYS C 28 13.136 22.614 7.001 1.00 0.00 H new ATOM 0 HB3 LYS C 28 13.992 23.587 8.181 1.00 0.00 H new ATOM 0 HG2 LYS C 28 12.999 25.651 7.326 1.00 0.00 H new ATOM 0 HG3 LYS C 28 12.349 24.830 5.921 1.00 0.00 H new ATOM 0 HD2 LYS C 28 10.581 23.899 7.104 1.00 0.00 H new ATOM 0 HD3 LYS C 28 11.540 23.648 8.549 1.00 0.00 H new ATOM 0 HE2 LYS C 28 11.469 26.450 8.321 1.00 0.00 H new ATOM 0 HE3 LYS C 28 9.867 25.973 7.795 1.00 0.00 H new ATOM 0 HZ1 LYS C 28 9.951 26.261 10.198 1.00 0.00 H new ATOM 0 HZ2 LYS C 28 9.630 24.637 9.819 1.00 0.00 H new ATOM 0 HZ3 LYS C 28 11.182 25.100 10.328 1.00 0.00 H new ATOM 333 N GLY C 29 14.909 26.018 5.250 1.00 0.00 N ATOM 334 CA GLY C 29 15.355 27.439 5.256 1.00 0.00 C ATOM 335 C GLY C 29 16.382 27.657 4.143 1.00 0.00 C ATOM 336 O GLY C 29 16.502 28.737 3.599 1.00 0.00 O ATOM 0 H GLY C 29 14.344 25.743 4.447 1.00 0.00 H new ATOM 0 HA2 GLY C 29 14.500 28.100 5.111 1.00 0.00 H new ATOM 0 HA3 GLY C 29 15.792 27.690 6.223 1.00 0.00 H new ATOM 340 N GLU C 30 17.125 26.640 3.799 1.00 0.00 N ATOM 341 CA GLU C 30 18.141 26.794 2.721 1.00 0.00 C ATOM 342 C GLU C 30 17.467 26.634 1.357 1.00 0.00 C ATOM 343 O GLU C 30 16.728 25.698 1.124 1.00 0.00 O ATOM 344 CB GLU C 30 19.223 25.724 2.883 1.00 0.00 C ATOM 345 CG GLU C 30 20.429 26.085 2.014 1.00 0.00 C ATOM 346 CD GLU C 30 20.976 24.822 1.348 1.00 0.00 C ATOM 347 OE1 GLU C 30 20.378 24.377 0.382 1.00 0.00 O ATOM 348 OE2 GLU C 30 21.986 24.319 1.815 1.00 0.00 O ATOM 0 H GLU C 30 17.072 25.711 4.217 1.00 0.00 H new ATOM 0 HA GLU C 30 18.594 27.783 2.789 1.00 0.00 H new ATOM 0 HB2 GLU C 30 19.523 25.650 3.928 1.00 0.00 H new ATOM 0 HB3 GLU C 30 18.832 24.749 2.594 1.00 0.00 H new ATOM 0 HG2 GLU C 30 20.139 26.812 1.255 1.00 0.00 H new ATOM 0 HG3 GLU C 30 21.203 26.552 2.624 1.00 0.00 H new ATOM 355 N ARG C 31 17.715 27.542 0.453 1.00 0.00 N ATOM 356 CA ARG C 31 17.088 27.442 -0.895 1.00 0.00 C ATOM 357 C ARG C 31 18.037 26.709 -1.844 1.00 0.00 C ATOM 358 O ARG C 31 19.237 26.710 -1.661 1.00 0.00 O ATOM 359 CB ARG C 31 16.815 28.848 -1.434 1.00 0.00 C ATOM 360 CG ARG C 31 15.911 29.602 -0.457 1.00 0.00 C ATOM 361 CD ARG C 31 16.767 30.492 0.448 1.00 0.00 C ATOM 362 NE ARG C 31 16.253 31.890 0.398 1.00 0.00 N ATOM 363 CZ ARG C 31 15.114 32.191 0.962 1.00 0.00 C ATOM 364 NH1 ARG C 31 14.420 31.269 1.574 1.00 0.00 N ATOM 365 NH2 ARG C 31 14.668 33.416 0.914 1.00 0.00 N ATOM 0 H ARG C 31 18.324 28.348 0.590 1.00 0.00 H new ATOM 0 HA ARG C 31 16.150 26.892 -0.821 1.00 0.00 H new ATOM 0 HB2 ARG C 31 17.753 29.386 -1.567 1.00 0.00 H new ATOM 0 HB3 ARG C 31 16.340 28.788 -2.413 1.00 0.00 H new ATOM 0 HG2 ARG C 31 15.191 30.209 -1.006 1.00 0.00 H new ATOM 0 HG3 ARG C 31 15.339 28.896 0.145 1.00 0.00 H new ATOM 0 HD2 ARG C 31 16.741 30.120 1.472 1.00 0.00 H new ATOM 0 HD3 ARG C 31 17.808 30.464 0.125 1.00 0.00 H new ATOM 0 HE ARG C 31 16.792 32.614 -0.078 1.00 0.00 H new ATOM 0 HH11 ARG C 31 14.767 30.311 1.612 1.00 0.00 H new ATOM 0 HH12 ARG C 31 13.531 31.507 2.013 1.00 0.00 H new ATOM 0 HH21 ARG C 31 15.209 34.137 0.436 1.00 0.00 H new ATOM 0 HH22 ARG C 31 13.779 33.653 1.354 1.00 0.00 H new ATOM 379 N LEU C 32 17.509 26.079 -2.859 1.00 0.00 N ATOM 380 CA LEU C 32 18.384 25.346 -3.817 1.00 0.00 C ATOM 381 C LEU C 32 17.798 25.444 -5.226 1.00 0.00 C ATOM 382 O LEU C 32 16.606 25.603 -5.404 1.00 0.00 O ATOM 383 CB LEU C 32 18.470 23.875 -3.407 1.00 0.00 C ATOM 384 CG LEU C 32 18.694 23.774 -1.897 1.00 0.00 C ATOM 385 CD1 LEU C 32 17.344 23.794 -1.178 1.00 0.00 C ATOM 386 CD2 LEU C 32 19.422 22.467 -1.577 1.00 0.00 C ATOM 0 H LEU C 32 16.511 26.041 -3.065 1.00 0.00 H new ATOM 0 HA LEU C 32 19.380 25.788 -3.806 1.00 0.00 H new ATOM 0 HB2 LEU C 32 17.552 23.356 -3.684 1.00 0.00 H new ATOM 0 HB3 LEU C 32 19.286 23.386 -3.939 1.00 0.00 H new ATOM 0 HG LEU C 32 19.296 24.618 -1.562 1.00 0.00 H new ATOM 0 HD11 LEU C 32 17.504 23.722 -0.102 1.00 0.00 H new ATOM 0 HD12 LEU C 32 16.824 24.724 -1.406 1.00 0.00 H new ATOM 0 HD13 LEU C 32 16.741 22.950 -1.513 1.00 0.00 H new ATOM 0 HD21 LEU C 32 19.582 22.394 -0.501 1.00 0.00 H new ATOM 0 HD22 LEU C 32 18.819 21.623 -1.912 1.00 0.00 H new ATOM 0 HD23 LEU C 32 20.384 22.452 -2.089 1.00 0.00 H new ATOM 398 N GLN C 33 18.626 25.350 -6.231 1.00 0.00 N ATOM 399 CA GLN C 33 18.116 25.439 -7.628 1.00 0.00 C ATOM 400 C GLN C 33 17.570 24.073 -8.052 1.00 0.00 C ATOM 401 O GLN C 33 18.243 23.067 -7.950 1.00 0.00 O ATOM 402 CB GLN C 33 19.255 25.846 -8.563 1.00 0.00 C ATOM 403 CG GLN C 33 18.712 26.025 -9.982 1.00 0.00 C ATOM 404 CD GLN C 33 19.336 27.270 -10.615 1.00 0.00 C ATOM 405 OE1 GLN C 33 19.496 28.282 -9.963 1.00 0.00 O ATOM 406 NE2 GLN C 33 19.700 27.237 -11.867 1.00 0.00 N ATOM 0 H GLN C 33 19.633 25.215 -6.144 1.00 0.00 H new ATOM 0 HA GLN C 33 17.322 26.184 -7.681 1.00 0.00 H new ATOM 0 HB2 GLN C 33 19.710 26.774 -8.217 1.00 0.00 H new ATOM 0 HB3 GLN C 33 20.036 25.086 -8.554 1.00 0.00 H new ATOM 0 HG2 GLN C 33 18.940 25.145 -10.584 1.00 0.00 H new ATOM 0 HG3 GLN C 33 17.627 26.122 -9.958 1.00 0.00 H new ATOM 0 HE21 GLN C 33 19.566 26.387 -12.415 1.00 0.00 H new ATOM 0 HE22 GLN C 33 20.119 28.061 -12.298 1.00 0.00 H new ATOM 415 N ILE C 34 16.356 24.029 -8.529 1.00 0.00 N ATOM 416 CA ILE C 34 15.773 22.726 -8.958 1.00 0.00 C ATOM 417 C ILE C 34 16.093 22.483 -10.433 1.00 0.00 C ATOM 418 O ILE C 34 15.901 23.341 -11.272 1.00 0.00 O ATOM 419 CB ILE C 34 14.256 22.756 -8.762 1.00 0.00 C ATOM 420 CG1 ILE C 34 13.935 22.697 -7.268 1.00 0.00 C ATOM 421 CG2 ILE C 34 13.626 21.553 -9.467 1.00 0.00 C ATOM 422 CD1 ILE C 34 14.415 21.361 -6.695 1.00 0.00 C ATOM 0 H ILE C 34 15.744 24.837 -8.640 1.00 0.00 H new ATOM 0 HA ILE C 34 16.201 21.923 -8.358 1.00 0.00 H new ATOM 0 HB ILE C 34 13.853 23.676 -9.185 1.00 0.00 H new ATOM 0 HG12 ILE C 34 14.420 23.523 -6.748 1.00 0.00 H new ATOM 0 HG13 ILE C 34 12.862 22.808 -7.111 1.00 0.00 H new ATOM 0 HG21 ILE C 34 12.545 21.574 -9.327 1.00 0.00 H new ATOM 0 HG22 ILE C 34 13.855 21.594 -10.532 1.00 0.00 H new ATOM 0 HG23 ILE C 34 14.028 20.632 -9.045 1.00 0.00 H new ATOM 0 HD11 ILE C 34 14.186 21.319 -5.630 1.00 0.00 H new ATOM 0 HD12 ILE C 34 13.909 20.543 -7.208 1.00 0.00 H new ATOM 0 HD13 ILE C 34 15.492 21.269 -6.839 1.00 0.00 H new ATOM 434 N VAL C 35 16.577 21.315 -10.756 1.00 0.00 N ATOM 435 CA VAL C 35 16.910 21.011 -12.175 1.00 0.00 C ATOM 436 C VAL C 35 15.836 20.089 -12.756 1.00 0.00 C ATOM 437 O VAL C 35 15.532 20.137 -13.932 1.00 0.00 O ATOM 438 CB VAL C 35 18.271 20.315 -12.240 1.00 0.00 C ATOM 439 CG1 VAL C 35 18.847 20.452 -13.652 1.00 0.00 C ATOM 440 CG2 VAL C 35 19.225 20.966 -11.237 1.00 0.00 C ATOM 0 H VAL C 35 16.756 20.557 -10.097 1.00 0.00 H new ATOM 0 HA VAL C 35 16.949 21.936 -12.750 1.00 0.00 H new ATOM 0 HB VAL C 35 18.151 19.259 -11.996 1.00 0.00 H new ATOM 0 HG11 VAL C 35 19.817 19.956 -13.699 1.00 0.00 H new ATOM 0 HG12 VAL C 35 18.168 19.990 -14.368 1.00 0.00 H new ATOM 0 HG13 VAL C 35 18.967 21.508 -13.895 1.00 0.00 H new ATOM 0 HG21 VAL C 35 20.195 20.470 -11.283 1.00 0.00 H new ATOM 0 HG22 VAL C 35 19.345 22.022 -11.481 1.00 0.00 H new ATOM 0 HG23 VAL C 35 18.816 20.871 -10.231 1.00 0.00 H new ATOM 450 N ASN C 36 15.260 19.251 -11.940 1.00 0.00 N ATOM 451 CA ASN C 36 14.204 18.324 -12.442 1.00 0.00 C ATOM 452 C ASN C 36 12.862 18.689 -11.802 1.00 0.00 C ATOM 453 O ASN C 36 12.789 19.542 -10.939 1.00 0.00 O ATOM 454 CB ASN C 36 14.570 16.884 -12.074 1.00 0.00 C ATOM 455 CG ASN C 36 14.273 15.965 -13.260 1.00 0.00 C ATOM 456 OD1 ASN C 36 14.190 16.414 -14.386 1.00 0.00 O ATOM 457 ND2 ASN C 36 14.108 14.687 -13.055 1.00 0.00 N ATOM 0 H ASN C 36 15.474 19.167 -10.946 1.00 0.00 H new ATOM 0 HA ASN C 36 14.127 18.412 -13.526 1.00 0.00 H new ATOM 0 HB2 ASN C 36 15.625 16.822 -11.807 1.00 0.00 H new ATOM 0 HB3 ASN C 36 14.001 16.564 -11.201 1.00 0.00 H new ATOM 0 HD21 ASN C 36 13.910 14.066 -13.840 1.00 0.00 H new ATOM 0 HD22 ASN C 36 14.177 14.309 -12.110 1.00 0.00 H new ATOM 464 N ASN C 37 11.796 18.056 -12.214 1.00 0.00 N ATOM 465 CA ASN C 37 10.466 18.380 -11.618 1.00 0.00 C ATOM 466 C ASN C 37 9.392 17.445 -12.179 1.00 0.00 C ATOM 467 O ASN C 37 9.057 16.441 -11.582 1.00 0.00 O ATOM 468 CB ASN C 37 10.088 19.832 -11.935 1.00 0.00 C ATOM 469 CG ASN C 37 10.892 20.341 -13.136 1.00 0.00 C ATOM 470 OD1 ASN C 37 10.617 19.981 -14.264 1.00 0.00 O ATOM 471 ND2 ASN C 37 11.880 21.170 -12.940 1.00 0.00 N ATOM 0 H ASN C 37 11.787 17.333 -12.933 1.00 0.00 H new ATOM 0 HA ASN C 37 10.530 18.248 -10.538 1.00 0.00 H new ATOM 0 HB2 ASN C 37 9.021 19.899 -12.148 1.00 0.00 H new ATOM 0 HB3 ASN C 37 10.280 20.463 -11.067 1.00 0.00 H new ATOM 0 HD21 ASN C 37 12.421 21.515 -13.733 1.00 0.00 H new ATOM 0 HD22 ASN C 37 12.112 21.473 -11.994 1.00 0.00 H new ATOM 478 N THR C 38 8.848 17.770 -13.319 1.00 0.00 N ATOM 479 CA THR C 38 7.794 16.905 -13.922 1.00 0.00 C ATOM 480 C THR C 38 8.179 15.435 -13.771 1.00 0.00 C ATOM 481 O THR C 38 7.802 14.777 -12.821 1.00 0.00 O ATOM 482 CB THR C 38 7.644 17.239 -15.410 1.00 0.00 C ATOM 483 OG1 THR C 38 7.240 16.073 -16.114 1.00 0.00 O ATOM 484 CG2 THR C 38 8.979 17.736 -15.968 1.00 0.00 C ATOM 0 H THR C 38 9.088 18.600 -13.861 1.00 0.00 H new ATOM 0 HA THR C 38 6.849 17.085 -13.409 1.00 0.00 H new ATOM 0 HB THR C 38 6.893 18.020 -15.531 1.00 0.00 H new ATOM 0 HG1 THR C 38 7.141 16.283 -17.066 1.00 0.00 H new ATOM 0 HG21 THR C 38 8.866 17.972 -17.026 1.00 0.00 H new ATOM 0 HG22 THR C 38 9.289 18.631 -15.428 1.00 0.00 H new ATOM 0 HG23 THR C 38 9.735 16.960 -15.848 1.00 0.00 H new ATOM 492 N GLU C 39 8.927 14.915 -14.700 1.00 0.00 N ATOM 493 CA GLU C 39 9.339 13.491 -14.618 1.00 0.00 C ATOM 494 C GLU C 39 10.518 13.350 -13.654 1.00 0.00 C ATOM 495 O GLU C 39 11.069 14.325 -13.184 1.00 0.00 O ATOM 496 CB GLU C 39 9.757 13.015 -16.007 1.00 0.00 C ATOM 497 CG GLU C 39 8.543 13.024 -16.937 1.00 0.00 C ATOM 498 CD GLU C 39 8.651 11.865 -17.930 1.00 0.00 C ATOM 499 OE1 GLU C 39 9.696 11.737 -18.548 1.00 0.00 O ATOM 500 OE2 GLU C 39 7.690 11.125 -18.055 1.00 0.00 O ATOM 0 H GLU C 39 9.272 15.419 -15.517 1.00 0.00 H new ATOM 0 HA GLU C 39 8.506 12.889 -14.255 1.00 0.00 H new ATOM 0 HB2 GLU C 39 10.538 13.663 -16.405 1.00 0.00 H new ATOM 0 HB3 GLU C 39 10.176 12.010 -15.948 1.00 0.00 H new ATOM 0 HG2 GLU C 39 7.626 12.934 -16.355 1.00 0.00 H new ATOM 0 HG3 GLU C 39 8.489 13.972 -17.473 1.00 0.00 H new ATOM 507 N GLY C 40 10.909 12.141 -13.357 1.00 0.00 N ATOM 508 CA GLY C 40 12.052 11.936 -12.424 1.00 0.00 C ATOM 509 C GLY C 40 11.546 11.905 -10.980 1.00 0.00 C ATOM 510 O GLY C 40 11.374 12.931 -10.353 1.00 0.00 O ATOM 0 H GLY C 40 10.486 11.287 -13.720 1.00 0.00 H new ATOM 0 HA2 GLY C 40 12.562 11.002 -12.660 1.00 0.00 H new ATOM 0 HA3 GLY C 40 12.781 12.737 -12.546 1.00 0.00 H new ATOM 514 N ASP C 41 11.304 10.738 -10.446 1.00 0.00 N ATOM 515 CA ASP C 41 10.811 10.658 -9.043 1.00 0.00 C ATOM 516 C ASP C 41 11.656 11.588 -8.173 1.00 0.00 C ATOM 517 O ASP C 41 11.145 12.468 -7.507 1.00 0.00 O ATOM 518 CB ASP C 41 10.941 9.221 -8.534 1.00 0.00 C ATOM 519 CG ASP C 41 9.638 8.802 -7.851 1.00 0.00 C ATOM 520 OD1 ASP C 41 9.242 9.473 -6.913 1.00 0.00 O ATOM 521 OD2 ASP C 41 9.058 7.818 -8.280 1.00 0.00 O ATOM 0 H ASP C 41 11.426 9.842 -10.918 1.00 0.00 H new ATOM 0 HA ASP C 41 9.764 10.957 -9.000 1.00 0.00 H new ATOM 0 HB2 ASP C 41 11.162 8.549 -9.363 1.00 0.00 H new ATOM 0 HB3 ASP C 41 11.772 9.146 -7.833 1.00 0.00 H new ATOM 526 N TRP C 42 12.947 11.399 -8.173 1.00 0.00 N ATOM 527 CA TRP C 42 13.831 12.269 -7.350 1.00 0.00 C ATOM 528 C TRP C 42 14.309 13.439 -8.211 1.00 0.00 C ATOM 529 O TRP C 42 14.741 13.257 -9.331 1.00 0.00 O ATOM 530 CB TRP C 42 15.037 11.463 -6.864 1.00 0.00 C ATOM 531 CG TRP C 42 14.710 10.821 -5.513 1.00 0.00 C ATOM 532 CD1 TRP C 42 13.932 9.739 -5.343 1.00 0.00 C ATOM 533 CD2 TRP C 42 15.147 11.258 -4.335 1.00 0.00 C ATOM 534 NE1 TRP C 42 13.931 9.559 -4.021 1.00 0.00 N ATOM 535 CE2 TRP C 42 14.662 10.460 -3.315 1.00 0.00 C ATOM 536 CE3 TRP C 42 15.965 12.330 -4.043 1.00 0.00 C ATOM 537 CZ2 TRP C 42 14.996 10.738 -2.006 1.00 0.00 C ATOM 538 CZ3 TRP C 42 16.299 12.606 -2.732 1.00 0.00 C ATOM 539 CH2 TRP C 42 15.815 11.810 -1.714 1.00 0.00 C ATOM 0 H TRP C 42 13.428 10.677 -8.709 1.00 0.00 H new ATOM 0 HA TRP C 42 13.282 12.644 -6.486 1.00 0.00 H new ATOM 0 HB2 TRP C 42 15.291 10.693 -7.593 1.00 0.00 H new ATOM 0 HB3 TRP C 42 15.908 12.112 -6.769 1.00 0.00 H new ATOM 0 HD1 TRP C 42 13.427 9.154 -6.097 1.00 0.00 H new ATOM 0 HE1 TRP C 42 13.418 8.800 -3.573 1.00 0.00 H new ATOM 0 HE3 TRP C 42 16.344 12.953 -4.840 1.00 0.00 H new ATOM 0 HZ2 TRP C 42 14.616 10.116 -1.209 1.00 0.00 H new ATOM 0 HZ3 TRP C 42 16.939 13.445 -2.503 1.00 0.00 H new ATOM 0 HH2 TRP C 42 16.077 12.026 -0.689 1.00 0.00 H new ATOM 550 N TRP C 43 14.240 14.638 -7.701 1.00 0.00 N ATOM 551 CA TRP C 43 14.694 15.807 -8.505 1.00 0.00 C ATOM 552 C TRP C 43 16.166 16.092 -8.220 1.00 0.00 C ATOM 553 O TRP C 43 16.755 15.548 -7.307 1.00 0.00 O ATOM 554 CB TRP C 43 13.869 17.039 -8.132 1.00 0.00 C ATOM 555 CG TRP C 43 12.406 16.813 -8.512 1.00 0.00 C ATOM 556 CD1 TRP C 43 11.971 15.894 -9.389 1.00 0.00 C ATOM 557 CD2 TRP C 43 11.375 17.504 -8.029 1.00 0.00 C ATOM 558 NE1 TRP C 43 10.650 16.072 -9.402 1.00 0.00 N ATOM 559 CE2 TRP C 43 10.192 17.055 -8.583 1.00 0.00 C ATOM 560 CE3 TRP C 43 11.362 18.538 -7.114 1.00 0.00 C ATOM 561 CZ2 TRP C 43 8.997 17.642 -8.221 1.00 0.00 C ATOM 562 CZ3 TRP C 43 10.165 19.124 -6.754 1.00 0.00 C ATOM 563 CH2 TRP C 43 8.982 18.676 -7.307 1.00 0.00 C ATOM 0 H TRP C 43 13.891 14.858 -6.768 1.00 0.00 H new ATOM 0 HA TRP C 43 14.563 15.580 -9.563 1.00 0.00 H new ATOM 0 HB2 TRP C 43 13.951 17.234 -7.063 1.00 0.00 H new ATOM 0 HB3 TRP C 43 14.257 17.918 -8.647 1.00 0.00 H new ATOM 0 HD1 TRP C 43 12.554 15.179 -9.951 1.00 0.00 H new ATOM 0 HE1 TRP C 43 10.028 15.511 -9.984 1.00 0.00 H new ATOM 0 HE3 TRP C 43 12.287 18.888 -6.680 1.00 0.00 H new ATOM 0 HZ2 TRP C 43 8.072 17.292 -8.654 1.00 0.00 H new ATOM 0 HZ3 TRP C 43 10.154 19.934 -6.039 1.00 0.00 H new ATOM 0 HH2 TRP C 43 8.046 19.134 -7.025 1.00 0.00 H new ATOM 574 N LEU C 44 16.763 16.945 -9.004 1.00 0.00 N ATOM 575 CA LEU C 44 18.197 17.280 -8.795 1.00 0.00 C ATOM 576 C LEU C 44 18.283 18.706 -8.255 1.00 0.00 C ATOM 577 O LEU C 44 17.380 19.498 -8.434 1.00 0.00 O ATOM 578 CB LEU C 44 18.945 17.189 -10.127 1.00 0.00 C ATOM 579 CG LEU C 44 20.441 17.014 -9.862 1.00 0.00 C ATOM 580 CD1 LEU C 44 20.737 15.547 -9.550 1.00 0.00 C ATOM 581 CD2 LEU C 44 21.230 17.441 -11.102 1.00 0.00 C ATOM 0 H LEU C 44 16.316 17.427 -9.784 1.00 0.00 H new ATOM 0 HA LEU C 44 18.647 16.583 -8.089 1.00 0.00 H new ATOM 0 HB2 LEU C 44 18.568 16.350 -10.711 1.00 0.00 H new ATOM 0 HB3 LEU C 44 18.772 18.090 -10.715 1.00 0.00 H new ATOM 0 HG LEU C 44 20.734 17.631 -9.013 1.00 0.00 H new ATOM 0 HD11 LEU C 44 21.803 15.423 -9.361 1.00 0.00 H new ATOM 0 HD12 LEU C 44 20.174 15.242 -8.668 1.00 0.00 H new ATOM 0 HD13 LEU C 44 20.444 14.928 -10.398 1.00 0.00 H new ATOM 0 HD21 LEU C 44 22.297 17.317 -10.915 1.00 0.00 H new ATOM 0 HD22 LEU C 44 20.936 16.823 -11.951 1.00 0.00 H new ATOM 0 HD23 LEU C 44 21.020 18.487 -11.325 1.00 0.00 H new ATOM 593 N ALA C 45 19.352 19.048 -7.595 1.00 0.00 N ATOM 594 CA ALA C 45 19.461 20.431 -7.057 1.00 0.00 C ATOM 595 C ALA C 45 20.867 20.980 -7.299 1.00 0.00 C ATOM 596 O ALA C 45 21.822 20.241 -7.434 1.00 0.00 O ATOM 597 CB ALA C 45 19.171 20.416 -5.554 1.00 0.00 C ATOM 0 H ALA C 45 20.147 18.438 -7.406 1.00 0.00 H new ATOM 0 HA ALA C 45 18.738 21.069 -7.565 1.00 0.00 H new ATOM 0 HB1 ALA C 45 19.250 21.428 -5.158 1.00 0.00 H new ATOM 0 HB2 ALA C 45 18.164 20.037 -5.382 1.00 0.00 H new ATOM 0 HB3 ALA C 45 19.892 19.772 -5.051 1.00 0.00 H new ATOM 603 N HIS C 46 20.996 22.278 -7.351 1.00 0.00 N ATOM 604 CA HIS C 46 22.331 22.895 -7.583 1.00 0.00 C ATOM 605 C HIS C 46 22.540 24.022 -6.566 1.00 0.00 C ATOM 606 O HIS C 46 21.822 25.003 -6.555 1.00 0.00 O ATOM 607 CB HIS C 46 22.387 23.449 -9.017 1.00 0.00 C ATOM 608 CG HIS C 46 23.381 24.614 -9.104 1.00 0.00 C ATOM 609 ND1 HIS C 46 24.603 24.512 -9.425 1.00 0.00 N ATOM 610 CD2 HIS C 46 23.188 25.962 -8.865 1.00 0.00 C ATOM 611 CE1 HIS C 46 25.173 25.658 -9.403 1.00 0.00 C ATOM 612 NE2 HIS C 46 24.339 26.625 -9.058 1.00 0.00 N ATOM 0 H HIS C 46 20.228 22.941 -7.242 1.00 0.00 H new ATOM 0 HA HIS C 46 23.120 22.153 -7.460 1.00 0.00 H new ATOM 0 HB2 HIS C 46 22.682 22.659 -9.707 1.00 0.00 H new ATOM 0 HB3 HIS C 46 21.396 23.785 -9.322 1.00 0.00 H new ATOM 0 HD2 HIS C 46 22.253 26.413 -8.568 1.00 0.00 H new ATOM 0 HE1 HIS C 46 26.215 25.817 -9.639 1.00 0.00 H new ATOM 0 HE2 HIS C 46 24.524 27.624 -8.963 1.00 0.00 H new ATOM 620 N SER C 47 23.516 23.890 -5.710 1.00 0.00 N ATOM 621 CA SER C 47 23.767 24.954 -4.697 1.00 0.00 C ATOM 622 C SER C 47 23.977 26.293 -5.408 1.00 0.00 C ATOM 623 O SER C 47 24.327 26.339 -6.571 1.00 0.00 O ATOM 624 CB SER C 47 25.017 24.605 -3.887 1.00 0.00 C ATOM 625 OG SER C 47 24.689 23.633 -2.906 1.00 0.00 O ATOM 0 H SER C 47 24.150 23.092 -5.668 1.00 0.00 H new ATOM 0 HA SER C 47 22.910 25.027 -4.027 1.00 0.00 H new ATOM 0 HB2 SER C 47 25.796 24.223 -4.547 1.00 0.00 H new ATOM 0 HB3 SER C 47 25.415 25.500 -3.409 1.00 0.00 H new ATOM 0 HG SER C 47 25.490 23.408 -2.388 1.00 0.00 H new ATOM 631 N LEU C 48 23.768 27.382 -4.721 1.00 0.00 N ATOM 632 CA LEU C 48 23.957 28.714 -5.363 1.00 0.00 C ATOM 633 C LEU C 48 25.229 29.369 -4.819 1.00 0.00 C ATOM 634 O LEU C 48 25.405 30.569 -4.904 1.00 0.00 O ATOM 635 CB LEU C 48 22.752 29.604 -5.054 1.00 0.00 C ATOM 636 CG LEU C 48 21.617 29.279 -6.027 1.00 0.00 C ATOM 637 CD1 LEU C 48 20.426 30.199 -5.749 1.00 0.00 C ATOM 638 CD2 LEU C 48 22.100 29.490 -7.463 1.00 0.00 C ATOM 0 H LEU C 48 23.475 27.408 -3.744 1.00 0.00 H new ATOM 0 HA LEU C 48 24.048 28.587 -6.442 1.00 0.00 H new ATOM 0 HB2 LEU C 48 22.422 29.445 -4.027 1.00 0.00 H new ATOM 0 HB3 LEU C 48 23.030 30.654 -5.140 1.00 0.00 H new ATOM 0 HG LEU C 48 21.312 28.241 -5.895 1.00 0.00 H new ATOM 0 HD11 LEU C 48 19.618 29.967 -6.442 1.00 0.00 H new ATOM 0 HD12 LEU C 48 20.081 30.049 -4.726 1.00 0.00 H new ATOM 0 HD13 LEU C 48 20.730 31.237 -5.880 1.00 0.00 H new ATOM 0 HD21 LEU C 48 21.292 29.259 -8.157 1.00 0.00 H new ATOM 0 HD22 LEU C 48 22.406 30.528 -7.595 1.00 0.00 H new ATOM 0 HD23 LEU C 48 22.948 28.834 -7.662 1.00 0.00 H new ATOM 650 N THR C 49 26.116 28.593 -4.261 1.00 0.00 N ATOM 651 CA THR C 49 27.374 29.175 -3.713 1.00 0.00 C ATOM 652 C THR C 49 28.523 28.907 -4.687 1.00 0.00 C ATOM 653 O THR C 49 28.900 29.759 -5.467 1.00 0.00 O ATOM 654 CB THR C 49 27.689 28.530 -2.361 1.00 0.00 C ATOM 655 OG1 THR C 49 26.719 28.938 -1.407 1.00 0.00 O ATOM 656 CG2 THR C 49 29.080 28.967 -1.898 1.00 0.00 C ATOM 0 H THR C 49 26.025 27.582 -4.161 1.00 0.00 H new ATOM 0 HA THR C 49 27.251 30.250 -3.581 1.00 0.00 H new ATOM 0 HB THR C 49 27.667 27.445 -2.460 1.00 0.00 H new ATOM 0 HG1 THR C 49 26.918 28.525 -0.541 1.00 0.00 H new ATOM 0 HG21 THR C 49 29.304 28.508 -0.935 1.00 0.00 H new ATOM 0 HG22 THR C 49 29.823 28.653 -2.631 1.00 0.00 H new ATOM 0 HG23 THR C 49 29.106 30.052 -1.797 1.00 0.00 H new ATOM 664 N THR C 50 29.084 27.730 -4.648 1.00 0.00 N ATOM 665 CA THR C 50 30.208 27.408 -5.572 1.00 0.00 C ATOM 666 C THR C 50 29.651 26.817 -6.869 1.00 0.00 C ATOM 667 O THR C 50 29.880 27.330 -7.946 1.00 0.00 O ATOM 668 CB THR C 50 31.141 26.393 -4.908 1.00 0.00 C ATOM 669 OG1 THR C 50 31.855 27.026 -3.855 1.00 0.00 O ATOM 670 CG2 THR C 50 32.129 25.851 -5.942 1.00 0.00 C ATOM 0 H THR C 50 28.813 26.977 -4.016 1.00 0.00 H new ATOM 0 HA THR C 50 30.763 28.318 -5.797 1.00 0.00 H new ATOM 0 HB THR C 50 30.552 25.569 -4.505 1.00 0.00 H new ATOM 0 HG1 THR C 50 32.452 26.377 -3.428 1.00 0.00 H new ATOM 0 HG21 THR C 50 32.793 25.128 -5.467 1.00 0.00 H new ATOM 0 HG22 THR C 50 31.581 25.365 -6.749 1.00 0.00 H new ATOM 0 HG23 THR C 50 32.719 26.673 -6.348 1.00 0.00 H new ATOM 678 N GLY C 51 28.918 25.741 -6.774 1.00 0.00 N ATOM 679 CA GLY C 51 28.347 25.118 -8.001 1.00 0.00 C ATOM 680 C GLY C 51 28.466 23.595 -7.904 1.00 0.00 C ATOM 681 O GLY C 51 29.467 23.016 -8.277 1.00 0.00 O ATOM 0 H GLY C 51 28.690 25.267 -5.900 1.00 0.00 H new ATOM 0 HA2 GLY C 51 27.302 25.405 -8.115 1.00 0.00 H new ATOM 0 HA3 GLY C 51 28.874 25.479 -8.884 1.00 0.00 H new ATOM 685 N GLN C 52 27.451 22.942 -7.406 1.00 0.00 N ATOM 686 CA GLN C 52 27.506 21.458 -7.285 1.00 0.00 C ATOM 687 C GLN C 52 26.113 20.874 -7.527 1.00 0.00 C ATOM 688 O GLN C 52 25.170 21.588 -7.806 1.00 0.00 O ATOM 689 CB GLN C 52 27.982 21.077 -5.882 1.00 0.00 C ATOM 690 CG GLN C 52 29.296 21.795 -5.572 1.00 0.00 C ATOM 691 CD GLN C 52 30.095 20.977 -4.555 1.00 0.00 C ATOM 692 OE1 GLN C 52 31.302 21.096 -4.475 1.00 0.00 O ATOM 693 NE2 GLN C 52 29.469 20.143 -3.770 1.00 0.00 N ATOM 0 H GLN C 52 26.586 23.372 -7.078 1.00 0.00 H new ATOM 0 HA GLN C 52 28.200 21.059 -8.025 1.00 0.00 H new ATOM 0 HB2 GLN C 52 27.226 21.347 -5.145 1.00 0.00 H new ATOM 0 HB3 GLN C 52 28.121 19.998 -5.815 1.00 0.00 H new ATOM 0 HG2 GLN C 52 29.876 21.926 -6.486 1.00 0.00 H new ATOM 0 HG3 GLN C 52 29.095 22.791 -5.177 1.00 0.00 H new ATOM 0 HE21 GLN C 52 28.456 20.043 -3.836 1.00 0.00 H new ATOM 0 HE22 GLN C 52 29.993 19.592 -3.090 1.00 0.00 H new ATOM 702 N THR C 53 25.975 19.581 -7.420 1.00 0.00 N ATOM 703 CA THR C 53 24.644 18.951 -7.642 1.00 0.00 C ATOM 704 C THR C 53 24.268 18.113 -6.418 1.00 0.00 C ATOM 705 O THR C 53 25.103 17.782 -5.599 1.00 0.00 O ATOM 706 CB THR C 53 24.709 18.050 -8.881 1.00 0.00 C ATOM 707 OG1 THR C 53 24.718 18.858 -10.048 1.00 0.00 O ATOM 708 CG2 THR C 53 23.492 17.122 -8.911 1.00 0.00 C ATOM 0 H THR C 53 26.728 18.933 -7.188 1.00 0.00 H new ATOM 0 HA THR C 53 23.893 19.726 -7.795 1.00 0.00 H new ATOM 0 HB THR C 53 25.617 17.448 -8.844 1.00 0.00 H new ATOM 0 HG1 THR C 53 24.761 18.285 -10.842 1.00 0.00 H new ATOM 0 HG21 THR C 53 23.543 16.484 -9.793 1.00 0.00 H new ATOM 0 HG22 THR C 53 23.485 16.502 -8.015 1.00 0.00 H new ATOM 0 HG23 THR C 53 22.580 17.718 -8.947 1.00 0.00 H new ATOM 716 N GLY C 54 23.016 17.768 -6.284 1.00 0.00 N ATOM 717 CA GLY C 54 22.590 16.953 -5.111 1.00 0.00 C ATOM 718 C GLY C 54 21.185 16.400 -5.356 1.00 0.00 C ATOM 719 O GLY C 54 20.237 17.140 -5.528 1.00 0.00 O ATOM 0 H GLY C 54 22.271 18.015 -6.935 1.00 0.00 H new ATOM 0 HA2 GLY C 54 23.291 16.134 -4.950 1.00 0.00 H new ATOM 0 HA3 GLY C 54 22.600 17.563 -4.208 1.00 0.00 H new ATOM 723 N TYR C 55 21.043 15.102 -5.377 1.00 0.00 N ATOM 724 CA TYR C 55 19.705 14.499 -5.608 1.00 0.00 C ATOM 725 C TYR C 55 18.763 14.903 -4.471 1.00 0.00 C ATOM 726 O TYR C 55 18.851 14.394 -3.372 1.00 0.00 O ATOM 727 CB TYR C 55 19.840 12.976 -5.637 1.00 0.00 C ATOM 728 CG TYR C 55 20.665 12.540 -6.855 1.00 0.00 C ATOM 729 CD1 TYR C 55 21.252 13.473 -7.688 1.00 0.00 C ATOM 730 CD2 TYR C 55 20.834 11.199 -7.135 1.00 0.00 C ATOM 731 CE1 TYR C 55 21.995 13.071 -8.779 1.00 0.00 C ATOM 732 CE2 TYR C 55 21.577 10.798 -8.226 1.00 0.00 C ATOM 733 CZ TYR C 55 22.164 11.731 -9.056 1.00 0.00 C ATOM 734 OH TYR C 55 22.907 11.329 -10.146 1.00 0.00 O ATOM 0 H TYR C 55 21.801 14.433 -5.243 1.00 0.00 H new ATOM 0 HA TYR C 55 19.302 14.851 -6.557 1.00 0.00 H new ATOM 0 HB2 TYR C 55 20.319 12.629 -4.721 1.00 0.00 H new ATOM 0 HB3 TYR C 55 18.852 12.517 -5.674 1.00 0.00 H new ATOM 0 HD1 TYR C 55 21.128 14.526 -7.483 1.00 0.00 H new ATOM 0 HD2 TYR C 55 20.381 10.457 -6.494 1.00 0.00 H new ATOM 0 HE1 TYR C 55 22.448 13.812 -9.421 1.00 0.00 H new ATOM 0 HE2 TYR C 55 21.700 9.745 -8.432 1.00 0.00 H new ATOM 0 HH TYR C 55 22.922 10.350 -10.189 1.00 0.00 H new ATOM 744 N ILE C 56 17.864 15.814 -4.724 1.00 0.00 N ATOM 745 CA ILE C 56 16.922 16.244 -3.652 1.00 0.00 C ATOM 746 C ILE C 56 15.591 15.495 -3.805 1.00 0.00 C ATOM 747 O ILE C 56 15.141 15.261 -4.910 1.00 0.00 O ATOM 748 CB ILE C 56 16.676 17.749 -3.765 1.00 0.00 C ATOM 749 CG1 ILE C 56 16.127 18.074 -5.155 1.00 0.00 C ATOM 750 CG2 ILE C 56 17.993 18.498 -3.549 1.00 0.00 C ATOM 751 CD1 ILE C 56 14.924 19.010 -5.022 1.00 0.00 C ATOM 0 H ILE C 56 17.741 16.278 -5.624 1.00 0.00 H new ATOM 0 HA ILE C 56 17.354 16.017 -2.677 1.00 0.00 H new ATOM 0 HB ILE C 56 15.954 18.057 -3.009 1.00 0.00 H new ATOM 0 HG12 ILE C 56 16.901 18.543 -5.763 1.00 0.00 H new ATOM 0 HG13 ILE C 56 15.833 17.157 -5.665 1.00 0.00 H new ATOM 0 HG21 ILE C 56 17.819 19.571 -3.629 1.00 0.00 H new ATOM 0 HG22 ILE C 56 18.385 18.267 -2.558 1.00 0.00 H new ATOM 0 HG23 ILE C 56 18.715 18.190 -4.305 1.00 0.00 H new ATOM 0 HD11 ILE C 56 14.532 19.242 -6.012 1.00 0.00 H new ATOM 0 HD12 ILE C 56 14.149 18.524 -4.430 1.00 0.00 H new ATOM 0 HD13 ILE C 56 15.233 19.932 -4.529 1.00 0.00 H new ATOM 763 N PRO C 57 15.001 15.142 -2.690 1.00 0.00 N ATOM 764 CA PRO C 57 13.718 14.418 -2.677 1.00 0.00 C ATOM 765 C PRO C 57 12.621 15.277 -3.315 1.00 0.00 C ATOM 766 O PRO C 57 12.769 16.471 -3.473 1.00 0.00 O ATOM 767 CB PRO C 57 13.417 14.174 -1.192 1.00 0.00 C ATOM 768 CG PRO C 57 14.562 14.817 -0.368 1.00 0.00 C ATOM 769 CD PRO C 57 15.564 15.430 -1.357 1.00 0.00 C ATOM 0 HA PRO C 57 13.761 13.487 -3.242 1.00 0.00 H new ATOM 0 HB2 PRO C 57 12.457 14.612 -0.919 1.00 0.00 H new ATOM 0 HB3 PRO C 57 13.350 13.106 -0.986 1.00 0.00 H new ATOM 0 HG2 PRO C 57 14.168 15.582 0.301 1.00 0.00 H new ATOM 0 HG3 PRO C 57 15.050 14.069 0.256 1.00 0.00 H new ATOM 0 HD2 PRO C 57 15.672 16.503 -1.197 1.00 0.00 H new ATOM 0 HD3 PRO C 57 16.554 14.989 -1.242 1.00 0.00 H new ATOM 777 N SER C 58 11.523 14.675 -3.681 1.00 0.00 N ATOM 778 CA SER C 58 10.419 15.456 -4.308 1.00 0.00 C ATOM 779 C SER C 58 9.461 15.966 -3.227 1.00 0.00 C ATOM 780 O SER C 58 8.836 16.997 -3.377 1.00 0.00 O ATOM 781 CB SER C 58 9.653 14.559 -5.283 1.00 0.00 C ATOM 782 OG SER C 58 10.032 13.206 -5.078 1.00 0.00 O ATOM 0 H SER C 58 11.342 13.677 -3.573 1.00 0.00 H new ATOM 0 HA SER C 58 10.841 16.307 -4.843 1.00 0.00 H new ATOM 0 HB2 SER C 58 8.580 14.674 -5.133 1.00 0.00 H new ATOM 0 HB3 SER C 58 9.865 14.856 -6.310 1.00 0.00 H new ATOM 0 HG SER C 58 10.440 12.853 -5.896 1.00 0.00 H new ATOM 788 N ASN C 59 9.339 15.254 -2.139 1.00 0.00 N ATOM 789 CA ASN C 59 8.420 15.707 -1.055 1.00 0.00 C ATOM 790 C ASN C 59 9.222 16.368 0.068 1.00 0.00 C ATOM 791 O ASN C 59 8.961 16.158 1.236 1.00 0.00 O ATOM 792 CB ASN C 59 7.662 14.501 -0.497 1.00 0.00 C ATOM 793 CG ASN C 59 6.156 14.755 -0.596 1.00 0.00 C ATOM 794 OD1 ASN C 59 5.525 14.362 -1.556 1.00 0.00 O ATOM 795 ND2 ASN C 59 5.550 15.400 0.363 1.00 0.00 N ATOM 0 H ASN C 59 9.834 14.381 -1.954 1.00 0.00 H new ATOM 0 HA ASN C 59 7.714 16.430 -1.463 1.00 0.00 H new ATOM 0 HB2 ASN C 59 7.927 13.602 -1.053 1.00 0.00 H new ATOM 0 HB3 ASN C 59 7.945 14.329 0.541 1.00 0.00 H new ATOM 0 HD21 ASN C 59 4.547 15.574 0.306 1.00 0.00 H new ATOM 0 HD22 ASN C 59 6.080 15.730 1.170 1.00 0.00 H new ATOM 802 N TYR C 60 10.197 17.165 -0.272 1.00 0.00 N ATOM 803 CA TYR C 60 11.010 17.836 0.781 1.00 0.00 C ATOM 804 C TYR C 60 11.286 19.285 0.373 1.00 0.00 C ATOM 805 O TYR C 60 12.038 19.989 1.018 1.00 0.00 O ATOM 806 CB TYR C 60 12.334 17.092 0.955 1.00 0.00 C ATOM 807 CG TYR C 60 12.122 15.887 1.872 1.00 0.00 C ATOM 808 CD1 TYR C 60 11.495 14.751 1.402 1.00 0.00 C ATOM 809 CD2 TYR C 60 12.555 15.918 3.182 1.00 0.00 C ATOM 810 CE1 TYR C 60 11.306 13.663 2.228 1.00 0.00 C ATOM 811 CE2 TYR C 60 12.365 14.830 4.008 1.00 0.00 C ATOM 812 CZ TYR C 60 11.739 13.694 3.538 1.00 0.00 C ATOM 813 OH TYR C 60 11.549 12.605 4.364 1.00 0.00 O ATOM 0 H TYR C 60 10.466 17.380 -1.232 1.00 0.00 H new ATOM 0 HA TYR C 60 10.461 17.825 1.723 1.00 0.00 H new ATOM 0 HB2 TYR C 60 12.710 16.764 -0.014 1.00 0.00 H new ATOM 0 HB3 TYR C 60 13.085 17.758 1.379 1.00 0.00 H new ATOM 0 HD1 TYR C 60 11.150 14.714 0.379 1.00 0.00 H new ATOM 0 HD2 TYR C 60 13.046 16.801 3.563 1.00 0.00 H new ATOM 0 HE1 TYR C 60 10.815 12.780 1.847 1.00 0.00 H new ATOM 0 HE2 TYR C 60 12.709 14.868 5.031 1.00 0.00 H new ATOM 0 HH TYR C 60 10.639 12.260 4.246 1.00 0.00 H new ATOM 823 N VAL C 61 10.682 19.738 -0.691 1.00 0.00 N ATOM 824 CA VAL C 61 10.909 21.141 -1.139 1.00 0.00 C ATOM 825 C VAL C 61 9.713 21.608 -1.966 1.00 0.00 C ATOM 826 O VAL C 61 8.881 20.823 -2.377 1.00 0.00 O ATOM 827 CB VAL C 61 12.184 21.214 -1.987 1.00 0.00 C ATOM 828 CG1 VAL C 61 12.221 20.041 -2.971 1.00 0.00 C ATOM 829 CG2 VAL C 61 12.222 22.530 -2.767 1.00 0.00 C ATOM 0 H VAL C 61 10.040 19.196 -1.270 1.00 0.00 H new ATOM 0 HA VAL C 61 11.023 21.786 -0.268 1.00 0.00 H new ATOM 0 HB VAL C 61 13.049 21.163 -1.325 1.00 0.00 H new ATOM 0 HG11 VAL C 61 13.129 20.098 -3.571 1.00 0.00 H new ATOM 0 HG12 VAL C 61 12.210 19.102 -2.418 1.00 0.00 H new ATOM 0 HG13 VAL C 61 11.350 20.087 -3.625 1.00 0.00 H new ATOM 0 HG21 VAL C 61 13.132 22.572 -3.366 1.00 0.00 H new ATOM 0 HG22 VAL C 61 11.353 22.590 -3.422 1.00 0.00 H new ATOM 0 HG23 VAL C 61 12.208 23.367 -2.069 1.00 0.00 H new ATOM 839 N ALA C 62 9.622 22.883 -2.210 1.00 0.00 N ATOM 840 CA ALA C 62 8.481 23.409 -3.010 1.00 0.00 C ATOM 841 C ALA C 62 8.870 24.753 -3.635 1.00 0.00 C ATOM 842 O ALA C 62 9.670 25.482 -3.084 1.00 0.00 O ATOM 843 CB ALA C 62 7.266 23.603 -2.100 1.00 0.00 C ATOM 0 H ALA C 62 10.289 23.586 -1.890 1.00 0.00 H new ATOM 0 HA ALA C 62 8.235 22.699 -3.800 1.00 0.00 H new ATOM 0 HB1 ALA C 62 6.431 23.988 -2.685 1.00 0.00 H new ATOM 0 HB2 ALA C 62 6.988 22.647 -1.656 1.00 0.00 H new ATOM 0 HB3 ALA C 62 7.513 24.312 -1.310 1.00 0.00 H new ATOM 849 N PRO C 63 8.288 25.039 -4.772 1.00 0.00 N ATOM 850 CA PRO C 63 8.555 26.292 -5.499 1.00 0.00 C ATOM 851 C PRO C 63 8.165 27.495 -4.637 1.00 0.00 C ATOM 852 O PRO C 63 7.070 27.567 -4.114 1.00 0.00 O ATOM 853 CB PRO C 63 7.672 26.216 -6.753 1.00 0.00 C ATOM 854 CG PRO C 63 6.897 24.873 -6.702 1.00 0.00 C ATOM 855 CD PRO C 63 7.318 24.137 -5.422 1.00 0.00 C ATOM 0 HA PRO C 63 9.609 26.411 -5.749 1.00 0.00 H new ATOM 0 HB2 PRO C 63 6.979 27.057 -6.785 1.00 0.00 H new ATOM 0 HB3 PRO C 63 8.282 26.272 -7.655 1.00 0.00 H new ATOM 0 HG2 PRO C 63 5.822 25.052 -6.704 1.00 0.00 H new ATOM 0 HG3 PRO C 63 7.121 24.269 -7.581 1.00 0.00 H new ATOM 0 HD2 PRO C 63 6.461 23.945 -4.776 1.00 0.00 H new ATOM 0 HD3 PRO C 63 7.768 23.171 -5.651 1.00 0.00 H new ATOM 863 N SER C 64 9.052 28.440 -4.482 1.00 0.00 N ATOM 864 CA SER C 64 8.728 29.635 -3.653 1.00 0.00 C ATOM 865 C SER C 64 9.854 30.663 -3.778 1.00 0.00 C ATOM 866 O SER C 64 10.941 30.385 -3.297 1.00 0.00 O ATOM 867 CB SER C 64 8.582 29.215 -2.189 1.00 0.00 C ATOM 868 OG SER C 64 9.004 30.277 -1.347 1.00 0.00 O ATOM 869 OXT SER C 64 9.611 31.711 -4.353 1.00 0.00 O ATOM 0 H SER C 64 9.986 28.436 -4.893 1.00 0.00 H new ATOM 0 HA SER C 64 7.793 30.076 -4.000 1.00 0.00 H new ATOM 0 HB2 SER C 64 7.545 28.958 -1.975 1.00 0.00 H new ATOM 0 HB3 SER C 64 9.178 28.324 -1.994 1.00 0.00 H new ATOM 0 HG SER C 64 8.909 30.008 -0.409 1.00 0.00 H new ATOM 876 N ALA A 71 10.022 16.994 13.826 1.00 0.00 N ATOM 877 CA ALA A 71 11.156 16.029 13.826 1.00 0.00 C ATOM 878 C ALA A 71 10.647 14.645 13.415 1.00 0.00 C ATOM 879 O ALA A 71 10.755 13.688 14.156 1.00 0.00 O ATOM 880 CB ALA A 71 11.762 15.953 15.228 1.00 0.00 C ATOM 0 HA ALA A 71 11.916 16.362 13.120 1.00 0.00 H new ATOM 0 HB1 ALA A 71 12.592 15.247 15.228 1.00 0.00 H new ATOM 0 HB2 ALA A 71 12.124 16.938 15.522 1.00 0.00 H new ATOM 0 HB3 ALA A 71 11.002 15.620 15.935 1.00 0.00 H new ATOM 888 N PHE A 72 10.094 14.532 12.238 1.00 0.00 N ATOM 889 CA PHE A 72 9.579 13.211 11.781 1.00 0.00 C ATOM 890 C PHE A 72 8.987 13.352 10.378 1.00 0.00 C ATOM 891 O PHE A 72 7.808 13.145 10.167 1.00 0.00 O ATOM 892 CB PHE A 72 8.495 12.724 12.745 1.00 0.00 C ATOM 893 CG PHE A 72 9.018 11.524 13.537 1.00 0.00 C ATOM 894 CD1 PHE A 72 9.481 10.399 12.881 1.00 0.00 C ATOM 895 CD2 PHE A 72 9.036 11.552 14.920 1.00 0.00 C ATOM 896 CE1 PHE A 72 9.954 9.317 13.595 1.00 0.00 C ATOM 897 CE2 PHE A 72 9.509 10.469 15.634 1.00 0.00 C ATOM 898 CZ PHE A 72 9.967 9.353 14.972 1.00 0.00 C ATOM 0 H PHE A 72 9.977 15.297 11.574 1.00 0.00 H new ATOM 0 HA PHE A 72 10.397 12.491 11.760 1.00 0.00 H new ATOM 0 HB2 PHE A 72 8.211 13.527 13.426 1.00 0.00 H new ATOM 0 HB3 PHE A 72 7.599 12.445 12.191 1.00 0.00 H new ATOM 0 HD1 PHE A 72 9.473 10.367 11.802 1.00 0.00 H new ATOM 0 HD2 PHE A 72 8.678 12.426 15.444 1.00 0.00 H new ATOM 0 HE1 PHE A 72 10.314 8.442 13.074 1.00 0.00 H new ATOM 0 HE2 PHE A 72 9.520 10.498 16.714 1.00 0.00 H new ATOM 0 HZ PHE A 72 10.336 8.506 15.531 1.00 0.00 H new ATOM 908 N ALA A 73 9.794 13.704 9.415 1.00 0.00 N ATOM 909 CA ALA A 73 9.278 13.858 8.027 1.00 0.00 C ATOM 910 C ALA A 73 8.800 12.499 7.507 1.00 0.00 C ATOM 911 O ALA A 73 9.133 11.473 8.066 1.00 0.00 O ATOM 912 CB ALA A 73 10.392 14.388 7.123 1.00 0.00 C ATOM 0 H ALA A 73 10.790 13.892 9.531 1.00 0.00 H new ATOM 0 HA ALA A 73 8.445 14.561 8.025 1.00 0.00 H new ATOM 0 HB1 ALA A 73 10.014 14.500 6.107 1.00 0.00 H new ATOM 0 HB2 ALA A 73 10.731 15.355 7.493 1.00 0.00 H new ATOM 0 HB3 ALA A 73 11.226 13.686 7.124 1.00 0.00 H new ATOM 918 N PRO A 74 8.033 12.533 6.447 1.00 0.00 N ATOM 919 CA PRO A 74 7.494 11.310 5.828 1.00 0.00 C ATOM 920 C PRO A 74 8.642 10.411 5.348 1.00 0.00 C ATOM 921 O PRO A 74 9.661 10.901 4.901 1.00 0.00 O ATOM 922 CB PRO A 74 6.662 11.804 4.637 1.00 0.00 C ATOM 923 CG PRO A 74 6.758 13.353 4.606 1.00 0.00 C ATOM 924 CD PRO A 74 7.642 13.791 5.783 1.00 0.00 C ATOM 0 HA PRO A 74 6.899 10.720 6.524 1.00 0.00 H new ATOM 0 HB2 PRO A 74 7.037 11.379 3.706 1.00 0.00 H new ATOM 0 HB3 PRO A 74 5.624 11.487 4.737 1.00 0.00 H new ATOM 0 HG2 PRO A 74 7.184 13.691 3.661 1.00 0.00 H new ATOM 0 HG3 PRO A 74 5.767 13.799 4.686 1.00 0.00 H new ATOM 0 HD2 PRO A 74 8.515 14.344 5.438 1.00 0.00 H new ATOM 0 HD3 PRO A 74 7.098 14.446 6.464 1.00 0.00 H new ATOM 932 N PRO A 75 8.440 9.121 5.452 1.00 0.00 N ATOM 933 CA PRO A 75 9.451 8.134 5.032 1.00 0.00 C ATOM 934 C PRO A 75 9.724 8.268 3.532 1.00 0.00 C ATOM 935 O PRO A 75 8.821 8.220 2.721 1.00 0.00 O ATOM 936 CB PRO A 75 8.824 6.769 5.347 1.00 0.00 C ATOM 937 CG PRO A 75 7.412 7.025 5.938 1.00 0.00 C ATOM 938 CD PRO A 75 7.197 8.546 5.997 1.00 0.00 C ATOM 0 HA PRO A 75 10.404 8.272 5.542 1.00 0.00 H new ATOM 0 HB2 PRO A 75 8.757 6.161 4.445 1.00 0.00 H new ATOM 0 HB3 PRO A 75 9.442 6.219 6.057 1.00 0.00 H new ATOM 0 HG2 PRO A 75 6.648 6.555 5.319 1.00 0.00 H new ATOM 0 HG3 PRO A 75 7.329 6.588 6.933 1.00 0.00 H new ATOM 0 HD2 PRO A 75 6.330 8.847 5.408 1.00 0.00 H new ATOM 0 HD3 PRO A 75 7.020 8.882 7.019 1.00 0.00 H new ATOM 946 N LEU A 76 10.963 8.436 3.157 1.00 0.00 N ATOM 947 CA LEU A 76 11.289 8.572 1.710 1.00 0.00 C ATOM 948 C LEU A 76 10.663 7.407 0.934 1.00 0.00 C ATOM 949 O LEU A 76 10.623 6.294 1.422 1.00 0.00 O ATOM 950 CB LEU A 76 12.807 8.549 1.524 1.00 0.00 C ATOM 951 CG LEU A 76 13.419 9.798 2.163 1.00 0.00 C ATOM 952 CD1 LEU A 76 14.913 9.571 2.399 1.00 0.00 C ATOM 953 CD2 LEU A 76 13.226 10.994 1.229 1.00 0.00 C ATOM 0 H LEU A 76 11.762 8.485 3.789 1.00 0.00 H new ATOM 0 HA LEU A 76 10.891 9.515 1.336 1.00 0.00 H new ATOM 0 HB2 LEU A 76 13.226 7.652 1.980 1.00 0.00 H new ATOM 0 HB3 LEU A 76 13.053 8.513 0.463 1.00 0.00 H new ATOM 0 HG LEU A 76 12.928 9.997 3.115 1.00 0.00 H new ATOM 0 HD11 LEU A 76 15.349 10.460 2.854 1.00 0.00 H new ATOM 0 HD12 LEU A 76 15.051 8.719 3.064 1.00 0.00 H new ATOM 0 HD13 LEU A 76 15.406 9.372 1.447 1.00 0.00 H new ATOM 0 HD21 LEU A 76 13.661 11.884 1.683 1.00 0.00 H new ATOM 0 HD22 LEU A 76 13.717 10.795 0.277 1.00 0.00 H new ATOM 0 HD23 LEU A 76 12.161 11.156 1.061 1.00 0.00 H new ATOM 965 N PRO A 77 10.189 7.697 -0.253 1.00 0.00 N ATOM 966 CA PRO A 77 9.559 6.681 -1.114 1.00 0.00 C ATOM 967 C PRO A 77 10.572 5.590 -1.470 1.00 0.00 C ATOM 968 O PRO A 77 11.686 5.580 -0.984 1.00 0.00 O ATOM 969 CB PRO A 77 9.125 7.445 -2.373 1.00 0.00 C ATOM 970 CG PRO A 77 9.552 8.925 -2.196 1.00 0.00 C ATOM 971 CD PRO A 77 10.241 9.054 -0.828 1.00 0.00 C ATOM 0 HA PRO A 77 8.719 6.187 -0.626 1.00 0.00 H new ATOM 0 HB2 PRO A 77 9.591 7.016 -3.260 1.00 0.00 H new ATOM 0 HB3 PRO A 77 8.046 7.372 -2.512 1.00 0.00 H new ATOM 0 HG2 PRO A 77 10.230 9.225 -2.995 1.00 0.00 H new ATOM 0 HG3 PRO A 77 8.684 9.582 -2.250 1.00 0.00 H new ATOM 0 HD2 PRO A 77 11.269 9.400 -0.934 1.00 0.00 H new ATOM 0 HD3 PRO A 77 9.726 9.774 -0.192 1.00 0.00 H new ATOM 979 N ARG A 78 10.196 4.669 -2.315 1.00 0.00 N ATOM 980 CA ARG A 78 11.138 3.581 -2.699 1.00 0.00 C ATOM 981 C ARG A 78 11.942 4.015 -3.926 1.00 0.00 C ATOM 982 O ARG A 78 11.526 3.826 -5.052 1.00 0.00 O ATOM 983 CB ARG A 78 10.348 2.313 -3.029 1.00 0.00 C ATOM 984 CG ARG A 78 11.274 1.097 -2.937 1.00 0.00 C ATOM 985 CD ARG A 78 11.045 0.382 -1.604 1.00 0.00 C ATOM 986 NE ARG A 78 12.252 -0.421 -1.256 1.00 0.00 N ATOM 987 CZ ARG A 78 12.180 -1.350 -0.340 1.00 0.00 C ATOM 988 NH1 ARG A 78 11.053 -1.577 0.278 1.00 0.00 N ATOM 989 NH2 ARG A 78 13.239 -2.051 -0.040 1.00 0.00 N ATOM 0 H ARG A 78 9.277 4.623 -2.756 1.00 0.00 H new ATOM 0 HA ARG A 78 11.817 3.379 -1.871 1.00 0.00 H new ATOM 0 HB2 ARG A 78 9.513 2.201 -2.337 1.00 0.00 H new ATOM 0 HB3 ARG A 78 9.924 2.386 -4.031 1.00 0.00 H new ATOM 0 HG2 ARG A 78 11.081 0.416 -3.765 1.00 0.00 H new ATOM 0 HG3 ARG A 78 12.314 1.412 -3.019 1.00 0.00 H new ATOM 0 HD2 ARG A 78 10.841 1.110 -0.819 1.00 0.00 H new ATOM 0 HD3 ARG A 78 10.171 -0.266 -1.672 1.00 0.00 H new ATOM 0 HE ARG A 78 13.136 -0.245 -1.734 1.00 0.00 H new ATOM 0 HH11 ARG A 78 10.225 -1.028 0.046 1.00 0.00 H new ATOM 0 HH12 ARG A 78 11.000 -2.303 0.993 1.00 0.00 H new ATOM 0 HH21 ARG A 78 14.121 -1.873 -0.520 1.00 0.00 H new ATOM 0 HH22 ARG A 78 13.185 -2.777 0.675 1.00 0.00 H new ATOM 1003 N ARG A 79 13.093 4.594 -3.717 1.00 0.00 N ATOM 1004 CA ARG A 79 13.923 5.039 -4.871 1.00 0.00 C ATOM 1005 C ARG A 79 13.940 3.945 -5.940 1.00 0.00 C ATOM 1006 O ARG A 79 14.806 3.087 -5.869 1.00 0.00 O ATOM 1007 CB ARG A 79 15.352 5.310 -4.395 1.00 0.00 C ATOM 1008 CG ARG A 79 15.370 6.571 -3.528 1.00 0.00 C ATOM 1009 CD ARG A 79 16.608 7.403 -3.866 1.00 0.00 C ATOM 1010 NE ARG A 79 16.980 8.241 -2.691 1.00 0.00 N ATOM 1011 CZ ARG A 79 18.143 8.833 -2.648 1.00 0.00 C ATOM 1012 NH1 ARG A 79 18.987 8.695 -3.635 1.00 0.00 N ATOM 1013 NH2 ARG A 79 18.463 9.565 -1.617 1.00 0.00 N ATOM 1014 OXT ARG A 79 13.088 3.983 -6.813 1.00 0.00 O ATOM 0 H ARG A 79 13.494 4.778 -2.797 1.00 0.00 H new ATOM 0 HA ARG A 79 13.501 5.951 -5.293 1.00 0.00 H new ATOM 0 HB2 ARG A 79 15.725 4.459 -3.825 1.00 0.00 H new ATOM 0 HB3 ARG A 79 16.015 5.435 -5.251 1.00 0.00 H new ATOM 0 HG2 ARG A 79 14.467 7.157 -3.700 1.00 0.00 H new ATOM 0 HG3 ARG A 79 15.378 6.300 -2.472 1.00 0.00 H new ATOM 0 HD2 ARG A 79 17.437 6.748 -4.136 1.00 0.00 H new ATOM 0 HD3 ARG A 79 16.408 8.037 -4.730 1.00 0.00 H new ATOM 0 HE ARG A 79 16.324 8.352 -1.918 1.00 0.00 H new ATOM 0 HH11 ARG A 79 18.738 8.123 -4.442 1.00 0.00 H new ATOM 0 HH12 ARG A 79 19.895 9.159 -3.598 1.00 0.00 H new ATOM 0 HH21 ARG A 79 17.805 9.675 -0.845 1.00 0.00 H new ATOM 0 HH22 ARG A 79 19.371 10.028 -1.582 1.00 0.00 H new