USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 675 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 Single : A 2 SER OG : rot 29:sc= 0.0979 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -5.21 K(o=-5.2,f=-12!) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 MET CE :methyl -140:sc= -1.01 (180deg=-4.57!) USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= -0.0551 X(o=-0.055,f=-0.24) USER MOD Single : A 26 LYS NZ :NH3+ -114:sc= -0.0362 (180deg=-0.362) USER MOD Single : A 28 CYS SG : rot 54:sc= 0.992 USER MOD Single : A 30 TYR OH : rot -32:sc= 1.31 USER MOD Single : A 31 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.0895) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc= -2.4 K(o=-2.4,f=-4.5!) USER MOD Single : A 37 THR OG1 : rot 98:sc= 1.24 USER MOD Single : A 41 CYS SG : rot 85:sc= 1.17 USER MOD Single : A 42 ASN : amide:sc= 0.125 K(o=0.13,f=-0.78) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc=-0.00192 X(o=-0.0019,f=0) USER MOD Single : A 52 GLN : amide:sc= -0.257 X(o=-0.26,f=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.138) USER MOD Single : A 61 ASN : amide:sc= -0.0585 X(o=-0.058,f=-0.061) USER MOD Single : A 66 MET CE :methyl -137:sc= -4.4! (180deg=-6.57!) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ -128:sc= -0.192 (180deg=-2.5!) USER MOD Single : A 75 TYR OH : rot -140:sc= -2.23 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 88 ASN : amide:sc= 0.45 X(o=0.45,f=-0.0085) USER MOD ----------------------------------------------------------------- ATOM 18 N SER A 2 4.132 -1.364 -1.368 1.00 12.12 N ATOM 19 CA SER A 2 5.275 -2.087 -1.912 1.00 5.50 C ATOM 20 C SER A 2 6.329 -1.118 -2.440 1.00 41.40 C ATOM 21 O SER A 2 7.527 -1.323 -2.250 1.00 45.12 O ATOM 22 CB SER A 2 4.825 -3.028 -3.031 1.00 4.11 C ATOM 23 OG SER A 2 3.828 -3.924 -2.573 1.00 54.10 O ATOM 0 HA SER A 2 5.717 -2.676 -1.108 1.00 5.50 H new ATOM 0 HB2 SER A 2 4.438 -2.445 -3.867 1.00 4.11 H new ATOM 0 HB3 SER A 2 5.681 -3.591 -3.403 1.00 4.11 H new ATOM 0 HG SER A 2 3.320 -3.505 -1.847 1.00 54.10 H new ATOM 29 N ALA A 3 5.872 -0.061 -3.104 1.00 42.01 N ATOM 30 CA ALA A 3 6.774 0.941 -3.658 1.00 52.34 C ATOM 31 C ALA A 3 7.699 1.501 -2.584 1.00 4.33 C ATOM 32 O ALA A 3 8.832 1.890 -2.868 1.00 4.20 O ATOM 33 CB ALA A 3 5.979 2.063 -4.310 1.00 41.22 C ATOM 0 H ALA A 3 4.883 0.123 -3.271 1.00 42.01 H new ATOM 0 HA ALA A 3 7.391 0.459 -4.416 1.00 52.34 H new ATOM 0 HB1 ALA A 3 6.665 2.804 -4.720 1.00 41.22 H new ATOM 0 HB2 ALA A 3 5.364 1.655 -5.112 1.00 41.22 H new ATOM 0 HB3 ALA A 3 5.337 2.534 -3.566 1.00 41.22 H new ATOM 39 N ASP A 4 7.210 1.540 -1.349 1.00 52.14 N ATOM 40 CA ASP A 4 7.994 2.053 -0.232 1.00 33.44 C ATOM 41 C ASP A 4 8.717 0.919 0.490 1.00 54.42 C ATOM 42 O ASP A 4 9.731 1.139 1.152 1.00 11.21 O ATOM 43 CB ASP A 4 7.092 2.805 0.749 1.00 63.14 C ATOM 44 CG ASP A 4 7.818 3.935 1.452 1.00 50.23 C ATOM 45 OD1 ASP A 4 8.051 4.981 0.810 1.00 42.11 O ATOM 46 OD2 ASP A 4 8.152 3.774 2.644 1.00 11.30 O ATOM 0 H ASP A 4 6.274 1.222 -1.097 1.00 52.14 H new ATOM 0 HA ASP A 4 8.740 2.742 -0.629 1.00 33.44 H new ATOM 0 HB2 ASP A 4 6.232 3.207 0.213 1.00 63.14 H new ATOM 0 HB3 ASP A 4 6.706 2.107 1.492 1.00 63.14 H new ATOM 51 N ASP A 5 8.187 -0.292 0.358 1.00 44.24 N ATOM 52 CA ASP A 5 8.782 -1.460 0.997 1.00 50.11 C ATOM 53 C ASP A 5 9.946 -1.998 0.171 1.00 42.23 C ATOM 54 O ASP A 5 10.635 -2.931 0.583 1.00 33.43 O ATOM 55 CB ASP A 5 7.730 -2.553 1.190 1.00 13.12 C ATOM 56 CG ASP A 5 7.041 -2.462 2.538 1.00 64.00 C ATOM 57 OD1 ASP A 5 7.635 -2.916 3.539 1.00 15.43 O ATOM 58 OD2 ASP A 5 5.910 -1.936 2.592 1.00 61.53 O ATOM 0 H ASP A 5 7.347 -0.490 -0.185 1.00 44.24 H new ATOM 0 HA ASP A 5 9.162 -1.156 1.972 1.00 50.11 H new ATOM 0 HB2 ASP A 5 6.984 -2.479 0.398 1.00 13.12 H new ATOM 0 HB3 ASP A 5 8.203 -3.530 1.092 1.00 13.12 H new ATOM 63 N PHE A 6 10.160 -1.403 -0.998 1.00 71.24 N ATOM 64 CA PHE A 6 11.239 -1.824 -1.884 1.00 4.11 C ATOM 65 C PHE A 6 12.569 -1.871 -1.136 1.00 51.15 C ATOM 66 O PHE A 6 13.440 -2.683 -1.448 1.00 43.23 O ATOM 67 CB PHE A 6 11.347 -0.874 -3.079 1.00 34.31 C ATOM 68 CG PHE A 6 12.020 0.428 -2.751 1.00 60.35 C ATOM 69 CD1 PHE A 6 11.467 1.295 -1.823 1.00 21.53 C ATOM 70 CD2 PHE A 6 13.206 0.785 -3.373 1.00 12.01 C ATOM 71 CE1 PHE A 6 12.084 2.493 -1.519 1.00 5.32 C ATOM 72 CE2 PHE A 6 13.828 1.982 -3.073 1.00 12.12 C ATOM 73 CZ PHE A 6 13.266 2.838 -2.146 1.00 31.14 C ATOM 0 H PHE A 6 9.600 -0.628 -1.354 1.00 71.24 H new ATOM 0 HA PHE A 6 11.009 -2.826 -2.245 1.00 4.11 H new ATOM 0 HB2 PHE A 6 11.900 -1.369 -3.877 1.00 34.31 H new ATOM 0 HB3 PHE A 6 10.347 -0.670 -3.463 1.00 34.31 H new ATOM 0 HD1 PHE A 6 10.542 1.031 -1.331 1.00 21.53 H new ATOM 0 HD2 PHE A 6 13.649 0.120 -4.100 1.00 12.01 H new ATOM 0 HE1 PHE A 6 11.643 3.159 -0.792 1.00 5.32 H new ATOM 0 HE2 PHE A 6 14.753 2.248 -3.563 1.00 12.12 H new ATOM 0 HZ PHE A 6 13.749 3.775 -1.912 1.00 31.14 H new ATOM 83 N ASP A 7 12.717 -0.994 -0.149 1.00 71.43 N ATOM 84 CA ASP A 7 13.939 -0.935 0.644 1.00 62.12 C ATOM 85 C ASP A 7 14.283 -2.307 1.216 1.00 50.13 C ATOM 86 O ASP A 7 15.374 -2.829 0.989 1.00 73.44 O ATOM 87 CB ASP A 7 13.788 0.081 1.777 1.00 24.43 C ATOM 88 CG ASP A 7 14.424 1.417 1.446 1.00 30.50 C ATOM 89 OD1 ASP A 7 15.556 1.420 0.919 1.00 53.04 O ATOM 90 OD2 ASP A 7 13.790 2.459 1.715 1.00 61.40 O ATOM 0 H ASP A 7 12.006 -0.314 0.121 1.00 71.43 H new ATOM 0 HA ASP A 7 14.752 -0.620 -0.010 1.00 62.12 H new ATOM 0 HB2 ASP A 7 12.729 0.229 1.990 1.00 24.43 H new ATOM 0 HB3 ASP A 7 14.242 -0.320 2.683 1.00 24.43 H new ATOM 95 N ALA A 8 13.345 -2.884 1.960 1.00 60.14 N ATOM 96 CA ALA A 8 13.548 -4.195 2.563 1.00 23.23 C ATOM 97 C ALA A 8 13.715 -5.271 1.496 1.00 63.22 C ATOM 98 O ALA A 8 14.186 -6.372 1.779 1.00 23.22 O ATOM 99 CB ALA A 8 12.386 -4.538 3.484 1.00 64.11 C ATOM 0 H ALA A 8 12.437 -2.464 2.159 1.00 60.14 H new ATOM 0 HA ALA A 8 14.465 -4.159 3.151 1.00 23.23 H new ATOM 0 HB1 ALA A 8 12.551 -5.520 3.928 1.00 64.11 H new ATOM 0 HB2 ALA A 8 12.315 -3.790 4.274 1.00 64.11 H new ATOM 0 HB3 ALA A 8 11.459 -4.550 2.911 1.00 64.11 H new ATOM 105 N ALA A 9 13.325 -4.945 0.268 1.00 65.33 N ATOM 106 CA ALA A 9 13.433 -5.884 -0.842 1.00 45.13 C ATOM 107 C ALA A 9 14.850 -5.907 -1.405 1.00 64.44 C ATOM 108 O ALA A 9 15.466 -6.967 -1.521 1.00 72.41 O ATOM 109 CB ALA A 9 12.435 -5.527 -1.934 1.00 25.30 C ATOM 0 H ALA A 9 12.932 -4.038 0.017 1.00 65.33 H new ATOM 0 HA ALA A 9 13.203 -6.881 -0.466 1.00 45.13 H new ATOM 0 HB1 ALA A 9 12.527 -6.236 -2.757 1.00 25.30 H new ATOM 0 HB2 ALA A 9 11.423 -5.568 -1.530 1.00 25.30 H new ATOM 0 HB3 ALA A 9 12.639 -4.520 -2.299 1.00 25.30 H new ATOM 115 N VAL A 10 15.363 -4.732 -1.755 1.00 51.21 N ATOM 116 CA VAL A 10 16.708 -4.618 -2.306 1.00 40.31 C ATOM 117 C VAL A 10 17.755 -5.086 -1.302 1.00 11.35 C ATOM 118 O VAL A 10 18.844 -5.518 -1.679 1.00 4.43 O ATOM 119 CB VAL A 10 17.023 -3.169 -2.722 1.00 1.51 C ATOM 120 CG1 VAL A 10 18.324 -3.109 -3.507 1.00 65.11 C ATOM 121 CG2 VAL A 10 15.875 -2.585 -3.532 1.00 20.51 C ATOM 0 H VAL A 10 14.867 -3.845 -1.667 1.00 51.21 H new ATOM 0 HA VAL A 10 16.744 -5.257 -3.188 1.00 40.31 H new ATOM 0 HB VAL A 10 17.143 -2.569 -1.820 1.00 1.51 H new ATOM 0 HG11 VAL A 10 18.530 -2.077 -3.792 1.00 65.11 H new ATOM 0 HG12 VAL A 10 19.140 -3.484 -2.889 1.00 65.11 H new ATOM 0 HG13 VAL A 10 18.237 -3.723 -4.404 1.00 65.11 H new ATOM 0 HG21 VAL A 10 16.115 -1.561 -3.817 1.00 20.51 H new ATOM 0 HG22 VAL A 10 15.721 -3.185 -4.429 1.00 20.51 H new ATOM 0 HG23 VAL A 10 14.966 -2.591 -2.931 1.00 20.51 H new ATOM 131 N LYS A 11 17.417 -4.998 -0.019 1.00 45.54 N ATOM 132 CA LYS A 11 18.327 -5.413 1.042 1.00 73.41 C ATOM 133 C LYS A 11 18.551 -6.922 1.006 1.00 11.34 C ATOM 134 O LYS A 11 19.664 -7.388 0.765 1.00 65.03 O ATOM 135 CB LYS A 11 17.772 -5.001 2.407 1.00 30.54 C ATOM 136 CG LYS A 11 18.397 -3.733 2.960 1.00 4.35 C ATOM 137 CD LYS A 11 19.546 -4.043 3.906 1.00 34.30 C ATOM 138 CE LYS A 11 19.740 -2.935 4.930 1.00 73.31 C ATOM 139 NZ LYS A 11 20.187 -1.665 4.294 1.00 25.14 N ATOM 0 H LYS A 11 16.519 -4.643 0.310 1.00 45.54 H new ATOM 0 HA LYS A 11 19.284 -4.917 0.881 1.00 73.41 H new ATOM 0 HB2 LYS A 11 16.695 -4.859 2.324 1.00 30.54 H new ATOM 0 HB3 LYS A 11 17.932 -5.814 3.115 1.00 30.54 H new ATOM 0 HG2 LYS A 11 18.758 -3.116 2.137 1.00 4.35 H new ATOM 0 HG3 LYS A 11 17.639 -3.152 3.485 1.00 4.35 H new ATOM 0 HD2 LYS A 11 19.352 -4.985 4.420 1.00 34.30 H new ATOM 0 HD3 LYS A 11 20.464 -4.176 3.334 1.00 34.30 H new ATOM 0 HE2 LYS A 11 18.804 -2.765 5.463 1.00 73.31 H new ATOM 0 HE3 LYS A 11 20.476 -3.249 5.670 1.00 73.31 H new ATOM 0 HZ1 LYS A 11 20.308 -0.935 5.025 1.00 25.14 H new ATOM 0 HZ2 LYS A 11 21.093 -1.821 3.807 1.00 25.14 H new ATOM 0 HZ3 LYS A 11 19.473 -1.351 3.606 1.00 25.14 H new ATOM 153 N TYR A 12 17.486 -7.679 1.247 1.00 25.12 N ATOM 154 CA TYR A 12 17.568 -9.135 1.244 1.00 53.14 C ATOM 155 C TYR A 12 18.239 -9.640 -0.030 1.00 51.10 C ATOM 156 O TYR A 12 18.861 -10.702 -0.039 1.00 23.03 O ATOM 157 CB TYR A 12 16.171 -9.745 1.374 1.00 40.23 C ATOM 158 CG TYR A 12 16.177 -11.169 1.881 1.00 21.12 C ATOM 159 CD1 TYR A 12 16.351 -12.237 1.009 1.00 33.14 C ATOM 160 CD2 TYR A 12 16.008 -11.447 3.232 1.00 44.10 C ATOM 161 CE1 TYR A 12 16.356 -13.540 1.468 1.00 23.14 C ATOM 162 CE2 TYR A 12 16.014 -12.747 3.700 1.00 1.40 C ATOM 163 CZ TYR A 12 16.188 -13.790 2.814 1.00 2.35 C ATOM 164 OH TYR A 12 16.193 -15.086 3.277 1.00 40.24 O ATOM 0 H TYR A 12 16.557 -7.309 1.447 1.00 25.12 H new ATOM 0 HA TYR A 12 18.172 -9.442 2.098 1.00 53.14 H new ATOM 0 HB2 TYR A 12 15.577 -9.130 2.050 1.00 40.23 H new ATOM 0 HB3 TYR A 12 15.679 -9.716 0.402 1.00 40.23 H new ATOM 0 HD1 TYR A 12 16.485 -12.045 -0.045 1.00 33.14 H new ATOM 0 HD2 TYR A 12 15.870 -10.633 3.928 1.00 44.10 H new ATOM 0 HE1 TYR A 12 16.491 -14.359 0.777 1.00 23.14 H new ATOM 0 HE2 TYR A 12 15.883 -12.945 4.754 1.00 1.40 H new ATOM 0 HH TYR A 12 16.064 -15.087 4.248 1.00 40.24 H new ATOM 174 N VAL A 13 18.108 -8.870 -1.105 1.00 50.35 N ATOM 175 CA VAL A 13 18.702 -9.236 -2.385 1.00 65.33 C ATOM 176 C VAL A 13 20.166 -8.814 -2.452 1.00 71.35 C ATOM 177 O VAL A 13 20.992 -9.497 -3.058 1.00 23.04 O ATOM 178 CB VAL A 13 17.941 -8.597 -3.562 1.00 32.14 C ATOM 179 CG1 VAL A 13 18.721 -8.764 -4.857 1.00 11.23 C ATOM 180 CG2 VAL A 13 16.550 -9.201 -3.686 1.00 11.41 C ATOM 0 H VAL A 13 17.595 -7.988 -1.115 1.00 50.35 H new ATOM 0 HA VAL A 13 18.635 -10.321 -2.466 1.00 65.33 H new ATOM 0 HB VAL A 13 17.834 -7.530 -3.367 1.00 32.14 H new ATOM 0 HG11 VAL A 13 18.167 -8.306 -5.677 1.00 11.23 H new ATOM 0 HG12 VAL A 13 19.693 -8.281 -4.761 1.00 11.23 H new ATOM 0 HG13 VAL A 13 18.862 -9.825 -5.062 1.00 11.23 H new ATOM 0 HG21 VAL A 13 16.026 -8.739 -4.522 1.00 11.41 H new ATOM 0 HG22 VAL A 13 16.633 -10.274 -3.859 1.00 11.41 H new ATOM 0 HG23 VAL A 13 15.993 -9.024 -2.766 1.00 11.41 H new ATOM 190 N SER A 14 20.480 -7.685 -1.826 1.00 53.43 N ATOM 191 CA SER A 14 21.844 -7.169 -1.817 1.00 73.04 C ATOM 192 C SER A 14 22.706 -7.931 -0.816 1.00 11.14 C ATOM 193 O SER A 14 23.920 -8.039 -0.981 1.00 60.35 O ATOM 194 CB SER A 14 21.845 -5.677 -1.478 1.00 63.22 C ATOM 195 OG SER A 14 23.167 -5.168 -1.425 1.00 15.30 O ATOM 0 H SER A 14 19.808 -7.110 -1.318 1.00 53.43 H new ATOM 0 HA SER A 14 22.266 -7.308 -2.812 1.00 73.04 H new ATOM 0 HB2 SER A 14 21.271 -5.130 -2.226 1.00 63.22 H new ATOM 0 HB3 SER A 14 21.352 -5.518 -0.519 1.00 63.22 H new ATOM 0 HG SER A 14 23.141 -4.213 -1.208 1.00 15.30 H new ATOM 201 N ASN A 15 22.068 -8.457 0.225 1.00 50.01 N ATOM 202 CA ASN A 15 22.776 -9.209 1.255 1.00 13.41 C ATOM 203 C ASN A 15 22.653 -10.710 1.014 1.00 64.14 C ATOM 204 O ASN A 15 23.440 -11.501 1.535 1.00 2.24 O ATOM 205 CB ASN A 15 22.228 -8.857 2.640 1.00 75.14 C ATOM 206 CG ASN A 15 20.735 -9.103 2.750 1.00 1.20 C ATOM 207 OD1 ASN A 15 20.239 -10.162 2.367 1.00 62.50 O ATOM 208 ND2 ASN A 15 20.011 -8.121 3.276 1.00 64.24 N ATOM 0 H ASN A 15 21.063 -8.376 0.377 1.00 50.01 H new ATOM 0 HA ASN A 15 23.830 -8.937 1.208 1.00 13.41 H new ATOM 0 HB2 ASN A 15 22.748 -9.448 3.394 1.00 75.14 H new ATOM 0 HB3 ASN A 15 22.438 -7.809 2.855 1.00 75.14 H new ATOM 0 HD21 ASN A 15 19.002 -8.229 3.376 1.00 64.24 H new ATOM 0 HD22 ASN A 15 20.465 -7.260 3.580 1.00 64.24 H new ATOM 215 N THR A 16 21.661 -11.097 0.218 1.00 20.31 N ATOM 216 CA THR A 16 21.435 -12.503 -0.093 1.00 34.03 C ATOM 217 C THR A 16 20.954 -12.678 -1.529 1.00 34.25 C ATOM 218 O THR A 16 19.905 -12.157 -1.912 1.00 25.24 O ATOM 219 CB THR A 16 20.402 -13.130 0.863 1.00 61.42 C ATOM 220 OG1 THR A 16 21.068 -13.724 1.983 1.00 63.34 O ATOM 221 CG2 THR A 16 19.570 -14.182 0.145 1.00 31.31 C ATOM 0 H THR A 16 21.001 -10.456 -0.223 1.00 20.31 H new ATOM 0 HA THR A 16 22.391 -13.012 0.031 1.00 34.03 H new ATOM 0 HB THR A 16 19.737 -12.340 1.213 1.00 61.42 H new ATOM 0 HG1 THR A 16 20.404 -14.119 2.587 1.00 63.34 H new ATOM 0 HG21 THR A 16 18.848 -14.611 0.840 1.00 31.31 H new ATOM 0 HG22 THR A 16 19.042 -13.721 -0.689 1.00 31.31 H new ATOM 0 HG23 THR A 16 20.224 -14.969 -0.230 1.00 31.31 H new ATOM 229 N THR A 17 21.725 -13.416 -2.321 1.00 5.13 N ATOM 230 CA THR A 17 21.378 -13.659 -3.715 1.00 21.50 C ATOM 231 C THR A 17 21.565 -15.128 -4.080 1.00 11.33 C ATOM 232 O THR A 17 21.453 -15.508 -5.246 1.00 35.34 O ATOM 233 CB THR A 17 22.228 -12.794 -4.665 1.00 34.20 C ATOM 234 OG1 THR A 17 23.454 -12.424 -4.026 1.00 23.35 O ATOM 235 CG2 THR A 17 21.469 -11.543 -5.081 1.00 2.22 C ATOM 0 H THR A 17 22.595 -13.856 -2.020 1.00 5.13 H new ATOM 0 HA THR A 17 20.328 -13.389 -3.831 1.00 21.50 H new ATOM 0 HB THR A 17 22.447 -13.381 -5.557 1.00 34.20 H new ATOM 0 HG1 THR A 17 23.989 -11.876 -4.637 1.00 23.35 H new ATOM 0 HG21 THR A 17 22.089 -10.948 -5.752 1.00 2.22 H new ATOM 0 HG22 THR A 17 20.550 -11.828 -5.593 1.00 2.22 H new ATOM 0 HG23 THR A 17 21.223 -10.955 -4.196 1.00 2.22 H new ATOM 243 N THR A 18 21.850 -15.951 -3.075 1.00 44.33 N ATOM 244 CA THR A 18 22.053 -17.378 -3.291 1.00 2.35 C ATOM 245 C THR A 18 20.728 -18.131 -3.265 1.00 64.41 C ATOM 246 O THR A 18 20.677 -19.324 -3.562 1.00 73.51 O ATOM 247 CB THR A 18 22.993 -17.978 -2.228 1.00 32.22 C ATOM 248 OG1 THR A 18 22.377 -17.913 -0.937 1.00 4.35 O ATOM 249 CG2 THR A 18 24.322 -17.238 -2.200 1.00 75.01 C ATOM 0 H THR A 18 21.945 -15.653 -2.104 1.00 44.33 H new ATOM 0 HA THR A 18 22.511 -17.488 -4.274 1.00 2.35 H new ATOM 0 HB THR A 18 23.182 -19.020 -2.488 1.00 32.22 H new ATOM 0 HG1 THR A 18 22.980 -18.298 -0.267 1.00 4.35 H new ATOM 0 HG21 THR A 18 24.969 -17.680 -1.442 1.00 75.01 H new ATOM 0 HG22 THR A 18 24.802 -17.315 -3.176 1.00 75.01 H new ATOM 0 HG23 THR A 18 24.149 -16.188 -1.962 1.00 75.01 H new ATOM 257 N MET A 19 19.659 -17.427 -2.909 1.00 60.13 N ATOM 258 CA MET A 19 18.333 -18.031 -2.847 1.00 51.44 C ATOM 259 C MET A 19 18.007 -18.760 -4.147 1.00 35.34 C ATOM 260 O MET A 19 18.652 -18.541 -5.171 1.00 70.11 O ATOM 261 CB MET A 19 17.275 -16.961 -2.570 1.00 12.01 C ATOM 262 CG MET A 19 17.157 -15.922 -3.673 1.00 71.13 C ATOM 263 SD MET A 19 17.688 -14.283 -3.144 1.00 5.34 S ATOM 264 CE MET A 19 17.496 -13.357 -4.665 1.00 4.54 C ATOM 0 H MET A 19 19.685 -16.438 -2.659 1.00 60.13 H new ATOM 0 HA MET A 19 18.328 -18.756 -2.033 1.00 51.44 H new ATOM 0 HB2 MET A 19 16.308 -17.445 -2.433 1.00 12.01 H new ATOM 0 HB3 MET A 19 17.515 -16.458 -1.633 1.00 12.01 H new ATOM 0 HG2 MET A 19 17.757 -16.236 -4.528 1.00 71.13 H new ATOM 0 HG3 MET A 19 16.122 -15.873 -4.011 1.00 71.13 H new ATOM 0 HE1 MET A 19 18.331 -12.666 -4.778 1.00 4.54 H new ATOM 0 HE2 MET A 19 17.478 -14.045 -5.510 1.00 4.54 H new ATOM 0 HE3 MET A 19 16.562 -12.796 -4.634 1.00 4.54 H new ATOM 274 N MET A 20 17.001 -19.628 -4.096 1.00 64.21 N ATOM 275 CA MET A 20 16.590 -20.389 -5.270 1.00 73.21 C ATOM 276 C MET A 20 15.889 -19.489 -6.283 1.00 63.21 C ATOM 277 O MET A 20 14.699 -19.204 -6.155 1.00 42.30 O ATOM 278 CB MET A 20 15.662 -21.535 -4.862 1.00 24.51 C ATOM 279 CG MET A 20 16.393 -22.840 -4.587 1.00 1.35 C ATOM 280 SD MET A 20 17.485 -22.735 -3.156 1.00 25.11 S ATOM 281 CE MET A 20 17.774 -24.471 -2.823 1.00 20.24 C ATOM 0 H MET A 20 16.456 -19.821 -3.255 1.00 64.21 H new ATOM 0 HA MET A 20 17.485 -20.803 -5.735 1.00 73.21 H new ATOM 0 HB2 MET A 20 15.108 -21.243 -3.970 1.00 24.51 H new ATOM 0 HB3 MET A 20 14.930 -21.698 -5.653 1.00 24.51 H new ATOM 0 HG2 MET A 20 15.664 -23.634 -4.425 1.00 1.35 H new ATOM 0 HG3 MET A 20 16.976 -23.117 -5.465 1.00 1.35 H new ATOM 0 HE1 MET A 20 18.434 -24.571 -1.962 1.00 20.24 H new ATOM 0 HE2 MET A 20 16.825 -24.964 -2.612 1.00 20.24 H new ATOM 0 HE3 MET A 20 18.239 -24.936 -3.693 1.00 20.24 H new ATOM 291 N ALA A 21 16.636 -19.045 -7.289 1.00 73.42 N ATOM 292 CA ALA A 21 16.085 -18.179 -8.325 1.00 24.54 C ATOM 293 C ALA A 21 16.546 -18.619 -9.710 1.00 45.11 C ATOM 294 O ALA A 21 17.575 -19.280 -9.852 1.00 31.44 O ATOM 295 CB ALA A 21 16.482 -16.733 -8.068 1.00 53.04 C ATOM 0 H ALA A 21 17.624 -19.270 -7.409 1.00 73.42 H new ATOM 0 HA ALA A 21 14.998 -18.258 -8.291 1.00 24.54 H new ATOM 0 HB1 ALA A 21 16.064 -16.097 -8.848 1.00 53.04 H new ATOM 0 HB2 ALA A 21 16.098 -16.417 -7.098 1.00 53.04 H new ATOM 0 HB3 ALA A 21 17.569 -16.648 -8.073 1.00 53.04 H new ATOM 301 N SER A 22 15.779 -18.248 -10.730 1.00 13.44 N ATOM 302 CA SER A 22 16.107 -18.608 -12.104 1.00 55.41 C ATOM 303 C SER A 22 17.043 -17.577 -12.727 1.00 25.10 C ATOM 304 O SER A 22 17.068 -16.417 -12.318 1.00 32.21 O ATOM 305 CB SER A 22 14.831 -18.726 -12.941 1.00 1.52 C ATOM 306 OG SER A 22 14.410 -20.075 -13.042 1.00 3.13 O ATOM 0 H SER A 22 14.926 -17.698 -10.631 1.00 13.44 H new ATOM 0 HA SER A 22 16.615 -19.572 -12.090 1.00 55.41 H new ATOM 0 HB2 SER A 22 14.040 -18.128 -12.489 1.00 1.52 H new ATOM 0 HB3 SER A 22 15.007 -18.321 -13.938 1.00 1.52 H new ATOM 0 HG SER A 22 13.592 -20.123 -13.580 1.00 3.13 H new ATOM 312 N ASN A 23 17.814 -18.011 -13.720 1.00 12.35 N ATOM 313 CA ASN A 23 18.754 -17.127 -14.400 1.00 13.14 C ATOM 314 C ASN A 23 18.039 -15.901 -14.961 1.00 61.41 C ATOM 315 O ASN A 23 18.645 -14.844 -15.139 1.00 73.55 O ATOM 316 CB ASN A 23 19.467 -17.877 -15.527 1.00 14.42 C ATOM 317 CG ASN A 23 20.141 -19.145 -15.041 1.00 45.22 C ATOM 318 OD1 ASN A 23 19.558 -20.228 -15.085 1.00 52.15 O ATOM 319 ND2 ASN A 23 21.378 -19.015 -14.574 1.00 72.31 N ATOM 0 H ASN A 23 17.806 -18.969 -14.071 1.00 12.35 H new ATOM 0 HA ASN A 23 19.493 -16.793 -13.672 1.00 13.14 H new ATOM 0 HB2 ASN A 23 18.747 -18.127 -16.306 1.00 14.42 H new ATOM 0 HB3 ASN A 23 20.212 -17.223 -15.980 1.00 14.42 H new ATOM 0 HD21 ASN A 23 21.883 -19.833 -14.233 1.00 72.31 H new ATOM 0 HD22 ASN A 23 21.823 -18.097 -14.556 1.00 72.31 H new ATOM 326 N ASP A 24 16.748 -16.051 -15.237 1.00 63.00 N ATOM 327 CA ASP A 24 15.950 -14.956 -15.777 1.00 31.53 C ATOM 328 C ASP A 24 15.339 -14.124 -14.654 1.00 32.44 C ATOM 329 O ASP A 24 15.064 -12.937 -14.826 1.00 50.14 O ATOM 330 CB ASP A 24 14.845 -15.501 -16.684 1.00 24.44 C ATOM 331 CG ASP A 24 15.241 -15.494 -18.147 1.00 44.50 C ATOM 332 OD1 ASP A 24 15.978 -16.410 -18.568 1.00 23.14 O ATOM 333 OD2 ASP A 24 14.814 -14.571 -18.872 1.00 33.31 O ATOM 0 H ASP A 24 16.232 -16.919 -15.096 1.00 63.00 H new ATOM 0 HA ASP A 24 16.608 -14.315 -16.364 1.00 31.53 H new ATOM 0 HB2 ASP A 24 14.600 -16.519 -16.382 1.00 24.44 H new ATOM 0 HB3 ASP A 24 13.943 -14.904 -16.552 1.00 24.44 H new ATOM 338 N ASP A 25 15.128 -14.756 -13.504 1.00 51.11 N ATOM 339 CA ASP A 25 14.549 -14.074 -12.352 1.00 60.22 C ATOM 340 C ASP A 25 15.595 -13.217 -11.646 1.00 53.54 C ATOM 341 O ASP A 25 15.303 -12.108 -11.196 1.00 64.31 O ATOM 342 CB ASP A 25 13.961 -15.091 -11.373 1.00 75.53 C ATOM 343 CG ASP A 25 12.908 -15.972 -12.017 1.00 32.30 C ATOM 344 OD1 ASP A 25 12.559 -15.719 -13.189 1.00 32.32 O ATOM 345 OD2 ASP A 25 12.432 -16.914 -11.349 1.00 22.24 O ATOM 0 H ASP A 25 15.349 -15.739 -13.345 1.00 51.11 H new ATOM 0 HA ASP A 25 13.752 -13.422 -12.710 1.00 60.22 H new ATOM 0 HB2 ASP A 25 14.762 -15.716 -10.978 1.00 75.53 H new ATOM 0 HB3 ASP A 25 13.521 -14.564 -10.526 1.00 75.53 H new ATOM 350 N LYS A 26 16.814 -13.737 -11.552 1.00 54.12 N ATOM 351 CA LYS A 26 17.904 -13.020 -10.902 1.00 31.15 C ATOM 352 C LYS A 26 18.290 -11.778 -11.698 1.00 12.53 C ATOM 353 O LYS A 26 19.003 -10.905 -11.200 1.00 22.51 O ATOM 354 CB LYS A 26 19.120 -13.935 -10.743 1.00 22.12 C ATOM 355 CG LYS A 26 18.844 -15.175 -9.909 1.00 42.44 C ATOM 356 CD LYS A 26 20.033 -15.534 -9.034 1.00 30.10 C ATOM 357 CE LYS A 26 20.980 -16.489 -9.744 1.00 72.24 C ATOM 358 NZ LYS A 26 20.367 -17.832 -9.943 1.00 25.14 N ATOM 0 H LYS A 26 17.072 -14.653 -11.918 1.00 54.12 H new ATOM 0 HA LYS A 26 17.562 -12.706 -9.916 1.00 31.15 H new ATOM 0 HB2 LYS A 26 19.465 -14.241 -11.730 1.00 22.12 H new ATOM 0 HB3 LYS A 26 19.931 -13.371 -10.282 1.00 22.12 H new ATOM 0 HG2 LYS A 26 17.968 -15.006 -9.283 1.00 42.44 H new ATOM 0 HG3 LYS A 26 18.609 -16.012 -10.566 1.00 42.44 H new ATOM 0 HD2 LYS A 26 20.570 -14.626 -8.758 1.00 30.10 H new ATOM 0 HD3 LYS A 26 19.681 -15.990 -8.109 1.00 30.10 H new ATOM 0 HE2 LYS A 26 21.260 -16.071 -10.711 1.00 72.24 H new ATOM 0 HE3 LYS A 26 21.897 -16.591 -9.163 1.00 72.24 H new ATOM 0 HZ1 LYS A 26 20.883 -18.536 -9.377 1.00 25.14 H new ATOM 0 HZ2 LYS A 26 19.372 -17.807 -9.642 1.00 25.14 H new ATOM 0 HZ3 LYS A 26 20.418 -18.091 -10.949 1.00 25.14 H new ATOM 372 N LEU A 27 17.813 -11.702 -12.935 1.00 63.14 N ATOM 373 CA LEU A 27 18.107 -10.565 -13.800 1.00 42.24 C ATOM 374 C LEU A 27 16.987 -9.532 -13.741 1.00 53.50 C ATOM 375 O LEU A 27 17.121 -8.424 -14.263 1.00 64.45 O ATOM 376 CB LEU A 27 18.308 -11.034 -15.242 1.00 73.05 C ATOM 377 CG LEU A 27 18.582 -9.938 -16.273 1.00 23.11 C ATOM 378 CD1 LEU A 27 19.611 -10.407 -17.290 1.00 73.52 C ATOM 379 CD2 LEU A 27 17.293 -9.524 -16.967 1.00 41.13 C ATOM 0 H LEU A 27 17.221 -12.414 -13.362 1.00 63.14 H new ATOM 0 HA LEU A 27 19.026 -10.098 -13.445 1.00 42.24 H new ATOM 0 HB2 LEU A 27 19.139 -11.739 -15.261 1.00 73.05 H new ATOM 0 HB3 LEU A 27 17.418 -11.582 -15.552 1.00 73.05 H new ATOM 0 HG LEU A 27 18.986 -9.069 -15.753 1.00 23.11 H new ATOM 0 HD11 LEU A 27 19.793 -9.614 -18.015 1.00 73.52 H new ATOM 0 HD12 LEU A 27 20.542 -10.652 -16.779 1.00 73.52 H new ATOM 0 HD13 LEU A 27 19.236 -11.291 -17.805 1.00 73.52 H new ATOM 0 HD21 LEU A 27 17.507 -8.743 -17.697 1.00 41.13 H new ATOM 0 HD22 LEU A 27 16.860 -10.386 -17.474 1.00 41.13 H new ATOM 0 HD23 LEU A 27 16.587 -9.145 -16.228 1.00 41.13 H new ATOM 391 N CYS A 28 15.883 -9.900 -13.100 1.00 41.20 N ATOM 392 CA CYS A 28 14.739 -9.004 -12.971 1.00 21.13 C ATOM 393 C CYS A 28 15.018 -7.911 -11.944 1.00 53.03 C ATOM 394 O CYS A 28 14.740 -6.735 -12.183 1.00 33.54 O ATOM 395 CB CYS A 28 13.491 -9.792 -12.569 1.00 42.30 C ATOM 396 SG CYS A 28 12.910 -10.949 -13.831 1.00 43.43 S ATOM 0 H CYS A 28 15.756 -10.812 -12.662 1.00 41.20 H new ATOM 0 HA CYS A 28 14.566 -8.533 -13.939 1.00 21.13 H new ATOM 0 HB2 CYS A 28 13.703 -10.345 -11.654 1.00 42.30 H new ATOM 0 HB3 CYS A 28 12.690 -9.090 -12.339 1.00 42.30 H new ATOM 0 HG CYS A 28 13.885 -11.735 -14.181 1.00 43.43 H new ATOM 402 N PHE A 29 15.567 -8.307 -10.801 1.00 1.53 N ATOM 403 CA PHE A 29 15.881 -7.361 -9.736 1.00 10.20 C ATOM 404 C PHE A 29 17.003 -6.417 -10.160 1.00 33.21 C ATOM 405 O PHE A 29 17.248 -5.398 -9.515 1.00 1.33 O ATOM 406 CB PHE A 29 16.282 -8.109 -8.463 1.00 1.53 C ATOM 407 CG PHE A 29 17.764 -8.311 -8.328 1.00 63.12 C ATOM 408 CD1 PHE A 29 18.555 -7.354 -7.713 1.00 13.03 C ATOM 409 CD2 PHE A 29 18.367 -9.459 -8.818 1.00 2.51 C ATOM 410 CE1 PHE A 29 19.919 -7.537 -7.587 1.00 31.40 C ATOM 411 CE2 PHE A 29 19.731 -9.648 -8.695 1.00 13.44 C ATOM 412 CZ PHE A 29 20.508 -8.685 -8.080 1.00 33.44 C ATOM 0 H PHE A 29 15.804 -9.276 -10.588 1.00 1.53 H new ATOM 0 HA PHE A 29 14.988 -6.769 -9.535 1.00 10.20 H new ATOM 0 HB2 PHE A 29 15.918 -7.556 -7.597 1.00 1.53 H new ATOM 0 HB3 PHE A 29 15.788 -9.081 -8.451 1.00 1.53 H new ATOM 0 HD1 PHE A 29 18.100 -6.454 -7.327 1.00 13.03 H new ATOM 0 HD2 PHE A 29 17.765 -10.214 -9.301 1.00 2.51 H new ATOM 0 HE1 PHE A 29 20.523 -6.784 -7.104 1.00 31.40 H new ATOM 0 HE2 PHE A 29 20.189 -10.548 -9.079 1.00 13.44 H new ATOM 0 HZ PHE A 29 21.574 -8.830 -7.985 1.00 33.44 H new ATOM 422 N TYR A 30 17.680 -6.765 -11.248 1.00 64.10 N ATOM 423 CA TYR A 30 18.778 -5.952 -11.757 1.00 42.23 C ATOM 424 C TYR A 30 18.251 -4.772 -12.569 1.00 25.21 C ATOM 425 O TYR A 30 18.795 -3.669 -12.509 1.00 22.21 O ATOM 426 CB TYR A 30 19.713 -6.802 -12.620 1.00 10.34 C ATOM 427 CG TYR A 30 20.162 -6.111 -13.888 1.00 34.22 C ATOM 428 CD1 TYR A 30 19.404 -6.190 -15.050 1.00 41.10 C ATOM 429 CD2 TYR A 30 21.343 -5.381 -13.924 1.00 61.22 C ATOM 430 CE1 TYR A 30 19.810 -5.561 -16.211 1.00 63.43 C ATOM 431 CE2 TYR A 30 21.756 -4.748 -15.080 1.00 63.25 C ATOM 432 CZ TYR A 30 20.987 -4.841 -16.221 1.00 73.43 C ATOM 433 OH TYR A 30 21.396 -4.213 -17.376 1.00 34.55 O ATOM 0 H TYR A 30 17.488 -7.604 -11.795 1.00 64.10 H new ATOM 0 HA TYR A 30 19.335 -5.564 -10.904 1.00 42.23 H new ATOM 0 HB2 TYR A 30 20.591 -7.072 -12.033 1.00 10.34 H new ATOM 0 HB3 TYR A 30 19.207 -7.731 -12.882 1.00 10.34 H new ATOM 0 HD1 TYR A 30 18.482 -6.753 -15.045 1.00 41.10 H new ATOM 0 HD2 TYR A 30 21.949 -5.307 -13.033 1.00 61.22 H new ATOM 0 HE1 TYR A 30 19.210 -5.632 -17.106 1.00 63.43 H new ATOM 0 HE2 TYR A 30 22.676 -4.183 -15.090 1.00 63.25 H new ATOM 0 HH TYR A 30 21.102 -4.733 -18.153 1.00 34.55 H new ATOM 443 N LYS A 31 17.188 -5.013 -13.328 1.00 13.12 N ATOM 444 CA LYS A 31 16.584 -3.972 -14.151 1.00 75.23 C ATOM 445 C LYS A 31 15.682 -3.071 -13.314 1.00 34.00 C ATOM 446 O LYS A 31 15.440 -1.917 -13.668 1.00 41.22 O ATOM 447 CB LYS A 31 15.779 -4.599 -15.292 1.00 53.01 C ATOM 448 CG LYS A 31 14.755 -5.619 -14.825 1.00 55.21 C ATOM 449 CD LYS A 31 13.888 -6.105 -15.975 1.00 31.24 C ATOM 450 CE LYS A 31 12.643 -6.820 -15.471 1.00 2.44 C ATOM 451 NZ LYS A 31 12.068 -7.726 -16.503 1.00 32.15 N ATOM 0 H LYS A 31 16.727 -5.921 -13.390 1.00 13.12 H new ATOM 0 HA LYS A 31 17.386 -3.364 -14.571 1.00 75.23 H new ATOM 0 HB2 LYS A 31 15.268 -3.809 -15.842 1.00 53.01 H new ATOM 0 HB3 LYS A 31 16.466 -5.079 -15.989 1.00 53.01 H new ATOM 0 HG2 LYS A 31 15.266 -6.467 -14.370 1.00 55.21 H new ATOM 0 HG3 LYS A 31 14.124 -5.176 -14.054 1.00 55.21 H new ATOM 0 HD2 LYS A 31 13.596 -5.258 -16.595 1.00 31.24 H new ATOM 0 HD3 LYS A 31 14.465 -6.779 -16.608 1.00 31.24 H new ATOM 0 HE2 LYS A 31 12.891 -7.396 -14.579 1.00 2.44 H new ATOM 0 HE3 LYS A 31 11.895 -6.084 -15.177 1.00 2.44 H new ATOM 0 HZ1 LYS A 31 11.108 -8.009 -16.221 1.00 32.15 H new ATOM 0 HZ2 LYS A 31 12.028 -7.231 -17.417 1.00 32.15 H new ATOM 0 HZ3 LYS A 31 12.666 -8.572 -16.594 1.00 32.15 H new ATOM 465 N TYR A 32 15.188 -3.605 -12.202 1.00 51.42 N ATOM 466 CA TYR A 32 14.312 -2.848 -11.315 1.00 70.41 C ATOM 467 C TYR A 32 15.096 -1.786 -10.551 1.00 22.00 C ATOM 468 O TYR A 32 14.634 -0.657 -10.383 1.00 74.43 O ATOM 469 CB TYR A 32 13.613 -3.788 -10.331 1.00 61.44 C ATOM 470 CG TYR A 32 12.710 -4.801 -10.999 1.00 14.41 C ATOM 471 CD1 TYR A 32 12.037 -4.492 -12.175 1.00 31.13 C ATOM 472 CD2 TYR A 32 12.530 -6.066 -10.454 1.00 33.11 C ATOM 473 CE1 TYR A 32 11.210 -5.414 -12.787 1.00 50.53 C ATOM 474 CE2 TYR A 32 11.706 -6.994 -11.061 1.00 32.45 C ATOM 475 CZ TYR A 32 11.048 -6.663 -12.227 1.00 32.33 C ATOM 476 OH TYR A 32 10.226 -7.584 -12.835 1.00 20.53 O ATOM 0 H TYR A 32 15.379 -4.558 -11.894 1.00 51.42 H new ATOM 0 HA TYR A 32 13.561 -2.349 -11.927 1.00 70.41 H new ATOM 0 HB2 TYR A 32 14.367 -4.315 -9.747 1.00 61.44 H new ATOM 0 HB3 TYR A 32 13.025 -3.195 -9.631 1.00 61.44 H new ATOM 0 HD1 TYR A 32 12.163 -3.515 -12.618 1.00 31.13 H new ATOM 0 HD2 TYR A 32 13.043 -6.328 -9.540 1.00 33.11 H new ATOM 0 HE1 TYR A 32 10.693 -5.157 -13.700 1.00 50.53 H new ATOM 0 HE2 TYR A 32 11.578 -7.974 -10.625 1.00 32.45 H new ATOM 0 HH TYR A 32 10.223 -8.414 -12.314 1.00 20.53 H new ATOM 486 N TYR A 33 16.286 -2.156 -10.090 1.00 50.34 N ATOM 487 CA TYR A 33 17.135 -1.236 -9.342 1.00 63.53 C ATOM 488 C TYR A 33 17.617 -0.094 -10.231 1.00 51.12 C ATOM 489 O TYR A 33 17.961 0.984 -9.746 1.00 53.20 O ATOM 490 CB TYR A 33 18.335 -1.981 -8.755 1.00 23.20 C ATOM 491 CG TYR A 33 19.165 -1.142 -7.809 1.00 72.33 C ATOM 492 CD1 TYR A 33 20.129 -0.265 -8.290 1.00 72.15 C ATOM 493 CD2 TYR A 33 18.984 -1.226 -6.434 1.00 74.21 C ATOM 494 CE1 TYR A 33 20.889 0.503 -7.430 1.00 24.50 C ATOM 495 CE2 TYR A 33 19.739 -0.461 -5.566 1.00 74.32 C ATOM 496 CZ TYR A 33 20.690 0.401 -6.069 1.00 5.12 C ATOM 497 OH TYR A 33 21.445 1.165 -5.208 1.00 41.24 O ATOM 0 H TYR A 33 16.684 -3.086 -10.221 1.00 50.34 H new ATOM 0 HA TYR A 33 16.543 -0.815 -8.529 1.00 63.53 H new ATOM 0 HB2 TYR A 33 17.980 -2.866 -8.226 1.00 23.20 H new ATOM 0 HB3 TYR A 33 18.969 -2.330 -9.570 1.00 23.20 H new ATOM 0 HD1 TYR A 33 20.287 -0.182 -9.355 1.00 72.15 H new ATOM 0 HD2 TYR A 33 18.240 -1.901 -6.037 1.00 74.21 H new ATOM 0 HE1 TYR A 33 21.635 1.179 -7.821 1.00 24.50 H new ATOM 0 HE2 TYR A 33 19.585 -0.538 -4.500 1.00 74.32 H new ATOM 0 HH TYR A 33 21.180 0.975 -4.284 1.00 41.24 H new ATOM 507 N LYS A 34 17.638 -0.338 -11.537 1.00 44.12 N ATOM 508 CA LYS A 34 18.075 0.669 -12.497 1.00 64.00 C ATOM 509 C LYS A 34 16.894 1.497 -12.992 1.00 42.42 C ATOM 510 O LYS A 34 17.029 2.693 -13.251 1.00 61.14 O ATOM 511 CB LYS A 34 18.777 0.003 -13.682 1.00 62.55 C ATOM 512 CG LYS A 34 20.031 -0.762 -13.295 1.00 62.24 C ATOM 513 CD LYS A 34 21.022 0.127 -12.563 1.00 25.51 C ATOM 514 CE LYS A 34 21.455 1.305 -13.422 1.00 15.35 C ATOM 515 NZ LYS A 34 22.723 1.912 -12.932 1.00 43.33 N ATOM 0 H LYS A 34 17.357 -1.225 -11.955 1.00 44.12 H new ATOM 0 HA LYS A 34 18.777 1.334 -11.994 1.00 64.00 H new ATOM 0 HB2 LYS A 34 18.081 -0.680 -14.169 1.00 62.55 H new ATOM 0 HB3 LYS A 34 19.039 0.767 -14.414 1.00 62.55 H new ATOM 0 HG2 LYS A 34 19.762 -1.607 -12.661 1.00 62.24 H new ATOM 0 HG3 LYS A 34 20.500 -1.171 -14.190 1.00 62.24 H new ATOM 0 HD2 LYS A 34 20.571 0.494 -11.641 1.00 25.51 H new ATOM 0 HD3 LYS A 34 21.897 -0.458 -12.279 1.00 25.51 H new ATOM 0 HE2 LYS A 34 21.585 0.975 -14.453 1.00 15.35 H new ATOM 0 HE3 LYS A 34 20.669 2.060 -13.426 1.00 15.35 H new ATOM 0 HZ1 LYS A 34 22.984 2.711 -13.544 1.00 43.33 H new ATOM 0 HZ2 LYS A 34 22.592 2.250 -11.957 1.00 43.33 H new ATOM 0 HZ3 LYS A 34 23.480 1.199 -12.952 1.00 43.33 H new ATOM 529 N GLN A 35 15.738 0.854 -13.120 1.00 1.24 N ATOM 530 CA GLN A 35 14.534 1.533 -13.583 1.00 12.21 C ATOM 531 C GLN A 35 13.897 2.342 -12.457 1.00 65.32 C ATOM 532 O GLN A 35 13.232 3.347 -12.702 1.00 13.42 O ATOM 533 CB GLN A 35 13.528 0.518 -14.129 1.00 24.21 C ATOM 534 CG GLN A 35 13.880 -0.002 -15.513 1.00 70.43 C ATOM 535 CD GLN A 35 14.081 1.112 -16.522 1.00 34.32 C ATOM 536 OE1 GLN A 35 15.033 1.095 -17.302 1.00 24.35 O ATOM 537 NE2 GLN A 35 13.181 2.089 -16.512 1.00 22.41 N ATOM 0 H GLN A 35 15.610 -0.136 -12.910 1.00 1.24 H new ATOM 0 HA GLN A 35 14.819 2.218 -14.382 1.00 12.21 H new ATOM 0 HB2 GLN A 35 13.463 -0.324 -13.439 1.00 24.21 H new ATOM 0 HB3 GLN A 35 12.541 0.979 -14.163 1.00 24.21 H new ATOM 0 HG2 GLN A 35 14.789 -0.600 -15.452 1.00 70.43 H new ATOM 0 HG3 GLN A 35 13.087 -0.663 -15.861 1.00 70.43 H new ATOM 0 HE21 GLN A 35 12.407 2.063 -15.848 1.00 22.41 H new ATOM 0 HE22 GLN A 35 13.264 2.865 -17.168 1.00 22.41 H new ATOM 546 N ALA A 36 14.107 1.895 -11.223 1.00 53.01 N ATOM 547 CA ALA A 36 13.555 2.578 -10.060 1.00 11.04 C ATOM 548 C ALA A 36 14.522 3.633 -9.533 1.00 15.22 C ATOM 549 O ALA A 36 14.234 4.319 -8.551 1.00 45.00 O ATOM 550 CB ALA A 36 13.221 1.573 -8.967 1.00 54.21 C ATOM 0 H ALA A 36 14.655 1.063 -11.003 1.00 53.01 H new ATOM 0 HA ALA A 36 12.639 3.083 -10.367 1.00 11.04 H new ATOM 0 HB1 ALA A 36 12.810 2.097 -8.104 1.00 54.21 H new ATOM 0 HB2 ALA A 36 12.488 0.859 -9.341 1.00 54.21 H new ATOM 0 HB3 ALA A 36 14.126 1.043 -8.672 1.00 54.21 H new ATOM 556 N THR A 37 15.670 3.758 -10.191 1.00 10.41 N ATOM 557 CA THR A 37 16.680 4.729 -9.788 1.00 30.43 C ATOM 558 C THR A 37 16.977 5.713 -10.913 1.00 51.10 C ATOM 559 O THR A 37 17.052 6.922 -10.691 1.00 22.44 O ATOM 560 CB THR A 37 17.990 4.035 -9.369 1.00 31.21 C ATOM 561 OG1 THR A 37 17.755 3.183 -8.242 1.00 13.41 O ATOM 562 CG2 THR A 37 19.059 5.060 -9.022 1.00 15.31 C ATOM 0 H THR A 37 15.924 3.199 -11.006 1.00 10.41 H new ATOM 0 HA THR A 37 16.274 5.271 -8.933 1.00 30.43 H new ATOM 0 HB THR A 37 18.342 3.436 -10.209 1.00 31.21 H new ATOM 0 HG1 THR A 37 17.633 2.260 -8.549 1.00 13.41 H new ATOM 0 HG21 THR A 37 19.975 4.546 -8.729 1.00 15.31 H new ATOM 0 HG22 THR A 37 19.257 5.687 -9.891 1.00 15.31 H new ATOM 0 HG23 THR A 37 18.712 5.682 -8.197 1.00 15.31 H new ATOM 570 N VAL A 38 17.144 5.189 -12.123 1.00 24.30 N ATOM 571 CA VAL A 38 17.431 6.022 -13.284 1.00 44.24 C ATOM 572 C VAL A 38 16.147 6.437 -13.994 1.00 3.23 C ATOM 573 O VAL A 38 15.811 7.619 -14.050 1.00 41.31 O ATOM 574 CB VAL A 38 18.346 5.293 -14.286 1.00 72.25 C ATOM 575 CG1 VAL A 38 18.652 6.186 -15.479 1.00 13.53 C ATOM 576 CG2 VAL A 38 19.629 4.841 -13.605 1.00 53.02 C ATOM 0 H VAL A 38 17.085 4.191 -12.325 1.00 24.30 H new ATOM 0 HA VAL A 38 17.943 6.911 -12.916 1.00 44.24 H new ATOM 0 HB VAL A 38 17.824 4.408 -14.650 1.00 72.25 H new ATOM 0 HG11 VAL A 38 19.300 5.653 -16.176 1.00 13.53 H new ATOM 0 HG12 VAL A 38 17.722 6.454 -15.981 1.00 13.53 H new ATOM 0 HG13 VAL A 38 19.154 7.091 -15.137 1.00 13.53 H new ATOM 0 HG21 VAL A 38 20.263 4.328 -14.328 1.00 53.02 H new ATOM 0 HG22 VAL A 38 20.157 5.709 -13.211 1.00 53.02 H new ATOM 0 HG23 VAL A 38 19.387 4.161 -12.788 1.00 53.02 H new ATOM 586 N GLY A 39 15.432 5.455 -14.534 1.00 43.25 N ATOM 587 CA GLY A 39 14.192 5.738 -15.233 1.00 43.52 C ATOM 588 C GLY A 39 14.117 5.052 -16.583 1.00 4.23 C ATOM 589 O GLY A 39 13.029 4.776 -17.087 1.00 33.35 O ATOM 0 H GLY A 39 15.689 4.469 -14.500 1.00 43.25 H new ATOM 0 HA2 GLY A 39 13.351 5.417 -14.619 1.00 43.52 H new ATOM 0 HA3 GLY A 39 14.094 6.815 -15.370 1.00 43.52 H new ATOM 593 N ASP A 40 15.277 4.778 -17.170 1.00 51.23 N ATOM 594 CA ASP A 40 15.339 4.121 -18.470 1.00 74.45 C ATOM 595 C ASP A 40 16.768 3.705 -18.802 1.00 25.22 C ATOM 596 O ASP A 40 17.719 4.143 -18.152 1.00 70.25 O ATOM 597 CB ASP A 40 14.798 5.047 -19.561 1.00 1.23 C ATOM 598 CG ASP A 40 15.402 6.436 -19.492 1.00 14.25 C ATOM 599 OD1 ASP A 40 16.493 6.581 -18.902 1.00 21.44 O ATOM 600 OD2 ASP A 40 14.783 7.379 -20.028 1.00 60.21 O ATOM 0 H ASP A 40 16.187 5.001 -16.766 1.00 51.23 H new ATOM 0 HA ASP A 40 14.720 3.225 -18.425 1.00 74.45 H new ATOM 0 HB2 ASP A 40 15.005 4.612 -20.539 1.00 1.23 H new ATOM 0 HB3 ASP A 40 13.714 5.120 -19.468 1.00 1.23 H new ATOM 605 N CYS A 41 16.913 2.857 -19.814 1.00 51.22 N ATOM 606 CA CYS A 41 18.227 2.380 -20.231 1.00 1.44 C ATOM 607 C CYS A 41 18.768 3.216 -21.386 1.00 55.14 C ATOM 608 O CYS A 41 18.055 3.495 -22.350 1.00 1.13 O ATOM 609 CB CYS A 41 18.152 0.909 -20.641 1.00 23.14 C ATOM 610 SG CYS A 41 19.741 0.197 -21.129 1.00 41.11 S ATOM 0 H CYS A 41 16.137 2.485 -20.361 1.00 51.22 H new ATOM 0 HA CYS A 41 18.907 2.479 -19.385 1.00 1.44 H new ATOM 0 HB2 CYS A 41 17.747 0.331 -19.810 1.00 23.14 H new ATOM 0 HB3 CYS A 41 17.451 0.809 -21.470 1.00 23.14 H new ATOM 0 HG CYS A 41 20.374 -0.218 -20.072 1.00 41.11 H new ATOM 616 N ASN A 42 20.031 3.614 -21.282 1.00 23.02 N ATOM 617 CA ASN A 42 20.667 4.420 -22.318 1.00 0.35 C ATOM 618 C ASN A 42 22.158 4.109 -22.411 1.00 74.32 C ATOM 619 O ASN A 42 22.997 5.006 -22.335 1.00 0.21 O ATOM 620 CB ASN A 42 20.463 5.909 -22.031 1.00 12.30 C ATOM 621 CG ASN A 42 19.104 6.200 -21.423 1.00 41.13 C ATOM 622 OD1 ASN A 42 18.157 6.547 -22.130 1.00 4.35 O ATOM 623 ND2 ASN A 42 19.003 6.060 -20.107 1.00 33.53 N ATOM 0 H ASN A 42 20.635 3.392 -20.491 1.00 23.02 H new ATOM 0 HA ASN A 42 20.202 4.173 -23.272 1.00 0.35 H new ATOM 0 HB2 ASN A 42 21.243 6.256 -21.353 1.00 12.30 H new ATOM 0 HB3 ASN A 42 20.572 6.473 -22.957 1.00 12.30 H new ATOM 0 HD21 ASN A 42 18.114 6.242 -19.642 1.00 33.53 H new ATOM 0 HD22 ASN A 42 19.815 5.770 -19.561 1.00 33.53 H new ATOM 630 N LYS A 43 22.480 2.831 -22.578 1.00 31.53 N ATOM 631 CA LYS A 43 23.868 2.399 -22.684 1.00 65.31 C ATOM 632 C LYS A 43 24.122 1.707 -24.020 1.00 4.32 C ATOM 633 O LYS A 43 23.219 1.140 -24.634 1.00 52.13 O ATOM 634 CB LYS A 43 24.220 1.453 -21.533 1.00 75.13 C ATOM 635 CG LYS A 43 23.780 1.963 -20.172 1.00 23.54 C ATOM 636 CD LYS A 43 24.918 1.917 -19.166 1.00 3.43 C ATOM 637 CE LYS A 43 24.897 3.128 -18.246 1.00 3.34 C ATOM 638 NZ LYS A 43 25.236 2.764 -16.842 1.00 3.41 N ATOM 0 H LYS A 43 21.798 2.076 -22.643 1.00 31.53 H new ATOM 0 HA LYS A 43 24.502 3.283 -22.626 1.00 65.31 H new ATOM 0 HB2 LYS A 43 23.757 0.483 -21.716 1.00 75.13 H new ATOM 0 HB3 LYS A 43 25.298 1.294 -21.521 1.00 75.13 H new ATOM 0 HG2 LYS A 43 23.417 2.986 -20.266 1.00 23.54 H new ATOM 0 HG3 LYS A 43 22.947 1.361 -19.809 1.00 23.54 H new ATOM 0 HD2 LYS A 43 24.844 1.006 -18.572 1.00 3.43 H new ATOM 0 HD3 LYS A 43 25.871 1.876 -19.694 1.00 3.43 H new ATOM 0 HE2 LYS A 43 25.605 3.872 -18.609 1.00 3.34 H new ATOM 0 HE3 LYS A 43 23.909 3.588 -18.274 1.00 3.34 H new ATOM 0 HZ1 LYS A 43 25.211 3.616 -16.247 1.00 3.41 H new ATOM 0 HZ2 LYS A 43 24.545 2.073 -16.486 1.00 3.41 H new ATOM 0 HZ3 LYS A 43 26.189 2.348 -16.812 1.00 3.41 H new ATOM 652 N PRO A 44 25.381 1.753 -24.481 1.00 22.12 N ATOM 653 CA PRO A 44 25.783 1.134 -25.747 1.00 62.04 C ATOM 654 C PRO A 44 25.758 -0.389 -25.682 1.00 24.21 C ATOM 655 O PRO A 44 25.906 -0.978 -24.610 1.00 52.45 O ATOM 656 CB PRO A 44 27.215 1.637 -25.949 1.00 54.35 C ATOM 657 CG PRO A 44 27.707 1.939 -24.576 1.00 45.04 C ATOM 658 CD PRO A 44 26.509 2.412 -23.801 1.00 20.32 C ATOM 0 HA PRO A 44 25.106 1.395 -26.561 1.00 62.04 H new ATOM 0 HB2 PRO A 44 27.835 0.883 -26.435 1.00 54.35 H new ATOM 0 HB3 PRO A 44 27.237 2.524 -26.582 1.00 54.35 H new ATOM 0 HG2 PRO A 44 28.145 1.054 -24.115 1.00 45.04 H new ATOM 0 HG3 PRO A 44 28.483 2.704 -24.599 1.00 45.04 H new ATOM 0 HD2 PRO A 44 26.570 2.123 -22.752 1.00 20.32 H new ATOM 0 HD3 PRO A 44 26.416 3.498 -23.828 1.00 20.32 H new ATOM 666 N LYS A 45 25.571 -1.023 -26.834 1.00 64.45 N ATOM 667 CA LYS A 45 25.529 -2.479 -26.909 1.00 51.13 C ATOM 668 C LYS A 45 26.776 -3.093 -26.280 1.00 54.33 C ATOM 669 O LYS A 45 27.900 -2.647 -26.511 1.00 20.23 O ATOM 670 CB LYS A 45 25.404 -2.932 -28.366 1.00 10.22 C ATOM 671 CG LYS A 45 25.252 -4.435 -28.525 1.00 1.34 C ATOM 672 CD LYS A 45 23.792 -4.855 -28.484 1.00 44.02 C ATOM 673 CE LYS A 45 23.647 -6.369 -28.515 1.00 43.31 C ATOM 674 NZ LYS A 45 23.576 -6.891 -29.908 1.00 1.21 N ATOM 0 H LYS A 45 25.446 -0.551 -27.730 1.00 64.45 H new ATOM 0 HA LYS A 45 24.657 -2.821 -26.352 1.00 51.13 H new ATOM 0 HB2 LYS A 45 24.544 -2.438 -28.819 1.00 10.22 H new ATOM 0 HB3 LYS A 45 26.286 -2.604 -28.917 1.00 10.22 H new ATOM 0 HG2 LYS A 45 25.695 -4.749 -29.470 1.00 1.34 H new ATOM 0 HG3 LYS A 45 25.800 -4.943 -27.732 1.00 1.34 H new ATOM 0 HD2 LYS A 45 23.324 -4.462 -27.581 1.00 44.02 H new ATOM 0 HD3 LYS A 45 23.263 -4.420 -29.332 1.00 44.02 H new ATOM 0 HE2 LYS A 45 24.492 -6.825 -27.999 1.00 43.31 H new ATOM 0 HE3 LYS A 45 22.747 -6.659 -27.972 1.00 43.31 H new ATOM 0 HZ1 LYS A 45 23.478 -7.926 -29.886 1.00 1.21 H new ATOM 0 HZ2 LYS A 45 22.755 -6.475 -30.393 1.00 1.21 H new ATOM 0 HZ3 LYS A 45 24.445 -6.637 -30.419 1.00 1.21 H new ATOM 688 N PRO A 46 26.575 -4.141 -25.468 1.00 13.33 N ATOM 689 CA PRO A 46 27.671 -4.839 -24.791 1.00 24.23 C ATOM 690 C PRO A 46 28.540 -5.633 -25.761 1.00 13.11 C ATOM 691 O PRO A 46 28.475 -5.434 -26.973 1.00 55.41 O ATOM 692 CB PRO A 46 26.949 -5.782 -23.825 1.00 61.12 C ATOM 693 CG PRO A 46 25.613 -6.007 -24.444 1.00 14.41 C ATOM 694 CD PRO A 46 25.261 -4.725 -25.148 1.00 25.03 C ATOM 0 HA PRO A 46 28.354 -4.145 -24.300 1.00 24.23 H new ATOM 0 HB2 PRO A 46 27.493 -6.719 -23.706 1.00 61.12 H new ATOM 0 HB3 PRO A 46 26.856 -5.339 -22.834 1.00 61.12 H new ATOM 0 HG2 PRO A 46 25.643 -6.841 -25.145 1.00 14.41 H new ATOM 0 HG3 PRO A 46 24.869 -6.253 -23.687 1.00 14.41 H new ATOM 0 HD2 PRO A 46 24.673 -4.908 -26.047 1.00 25.03 H new ATOM 0 HD3 PRO A 46 24.672 -4.065 -24.511 1.00 25.03 H new ATOM 702 N GLY A 47 29.353 -6.535 -25.219 1.00 12.42 N ATOM 703 CA GLY A 47 30.222 -7.345 -26.051 1.00 62.14 C ATOM 704 C GLY A 47 29.456 -8.128 -27.100 1.00 5.33 C ATOM 705 O GLY A 47 28.240 -7.986 -27.224 1.00 23.44 O ATOM 0 H GLY A 47 29.425 -6.719 -24.218 1.00 12.42 H new ATOM 0 HA2 GLY A 47 30.952 -6.702 -26.543 1.00 62.14 H new ATOM 0 HA3 GLY A 47 30.781 -8.037 -25.421 1.00 62.14 H new ATOM 709 N MET A 48 30.170 -8.954 -27.857 1.00 61.14 N ATOM 710 CA MET A 48 29.549 -9.762 -28.901 1.00 43.41 C ATOM 711 C MET A 48 29.895 -11.237 -28.725 1.00 44.32 C ATOM 712 O MET A 48 29.711 -12.041 -29.640 1.00 22.35 O ATOM 713 CB MET A 48 29.999 -9.281 -30.282 1.00 73.44 C ATOM 714 CG MET A 48 28.864 -8.737 -31.135 1.00 63.24 C ATOM 715 SD MET A 48 28.056 -7.309 -30.387 1.00 62.35 S ATOM 716 CE MET A 48 29.041 -5.973 -31.059 1.00 3.40 C ATOM 0 H MET A 48 31.178 -9.082 -27.768 1.00 61.14 H new ATOM 0 HA MET A 48 28.468 -9.649 -28.819 1.00 43.41 H new ATOM 0 HB2 MET A 48 30.755 -8.505 -30.159 1.00 73.44 H new ATOM 0 HB3 MET A 48 30.474 -10.108 -30.809 1.00 73.44 H new ATOM 0 HG2 MET A 48 29.252 -8.458 -32.115 1.00 63.24 H new ATOM 0 HG3 MET A 48 28.127 -9.523 -31.296 1.00 63.24 H new ATOM 0 HE1 MET A 48 28.664 -5.020 -30.687 1.00 3.40 H new ATOM 0 HE2 MET A 48 30.080 -6.097 -30.752 1.00 3.40 H new ATOM 0 HE3 MET A 48 28.980 -5.988 -32.147 1.00 3.40 H new ATOM 726 N LEU A 49 30.398 -11.585 -27.546 1.00 33.31 N ATOM 727 CA LEU A 49 30.770 -12.965 -27.250 1.00 41.54 C ATOM 728 C LEU A 49 30.076 -13.457 -25.984 1.00 40.44 C ATOM 729 O LEU A 49 30.227 -14.613 -25.592 1.00 65.34 O ATOM 730 CB LEU A 49 32.287 -13.081 -27.092 1.00 61.33 C ATOM 731 CG LEU A 49 32.965 -11.975 -26.283 1.00 53.23 C ATOM 732 CD1 LEU A 49 33.053 -10.695 -27.099 1.00 40.43 C ATOM 733 CD2 LEU A 49 32.214 -11.730 -24.982 1.00 44.53 C ATOM 0 H LEU A 49 30.558 -10.931 -26.779 1.00 33.31 H new ATOM 0 HA LEU A 49 30.448 -13.589 -28.084 1.00 41.54 H new ATOM 0 HB2 LEU A 49 32.511 -14.038 -26.620 1.00 61.33 H new ATOM 0 HB3 LEU A 49 32.735 -13.103 -28.086 1.00 61.33 H new ATOM 0 HG LEU A 49 33.978 -12.297 -26.040 1.00 53.23 H new ATOM 0 HD11 LEU A 49 33.538 -9.919 -26.507 1.00 40.43 H new ATOM 0 HD12 LEU A 49 33.634 -10.879 -28.003 1.00 40.43 H new ATOM 0 HD13 LEU A 49 32.050 -10.368 -27.373 1.00 40.43 H new ATOM 0 HD21 LEU A 49 32.710 -10.940 -24.419 1.00 44.53 H new ATOM 0 HD22 LEU A 49 31.190 -11.429 -25.204 1.00 44.53 H new ATOM 0 HD23 LEU A 49 32.203 -12.645 -24.390 1.00 44.53 H new ATOM 745 N GLN A 50 29.314 -12.571 -25.351 1.00 55.14 N ATOM 746 CA GLN A 50 28.595 -12.916 -24.131 1.00 31.54 C ATOM 747 C GLN A 50 27.099 -13.044 -24.397 1.00 53.21 C ATOM 748 O GLN A 50 26.542 -12.325 -25.228 1.00 50.20 O ATOM 749 CB GLN A 50 28.845 -11.862 -23.051 1.00 32.21 C ATOM 750 CG GLN A 50 29.928 -12.253 -22.058 1.00 15.11 C ATOM 751 CD GLN A 50 29.746 -11.592 -20.706 1.00 14.21 C ATOM 752 OE1 GLN A 50 29.773 -12.255 -19.669 1.00 30.11 O ATOM 753 NE2 GLN A 50 29.559 -10.277 -20.710 1.00 33.11 N ATOM 0 H GLN A 50 29.179 -11.609 -25.663 1.00 55.14 H new ATOM 0 HA GLN A 50 28.966 -13.879 -23.781 1.00 31.54 H new ATOM 0 HB2 GLN A 50 29.124 -10.923 -23.529 1.00 32.21 H new ATOM 0 HB3 GLN A 50 27.916 -11.681 -22.510 1.00 32.21 H new ATOM 0 HG2 GLN A 50 29.926 -13.336 -21.932 1.00 15.11 H new ATOM 0 HG3 GLN A 50 30.903 -11.981 -22.463 1.00 15.11 H new ATOM 0 HE21 GLN A 50 29.544 -9.767 -21.593 1.00 33.11 H new ATOM 0 HE22 GLN A 50 29.431 -9.777 -19.830 1.00 33.11 H new ATOM 762 N LEU A 51 26.453 -13.963 -23.688 1.00 13.41 N ATOM 763 CA LEU A 51 25.020 -14.185 -23.848 1.00 12.21 C ATOM 764 C LEU A 51 24.226 -13.378 -22.825 1.00 61.20 C ATOM 765 O LEU A 51 23.310 -12.638 -23.181 1.00 35.20 O ATOM 766 CB LEU A 51 24.695 -15.673 -23.704 1.00 2.30 C ATOM 767 CG LEU A 51 25.431 -16.615 -24.657 1.00 72.40 C ATOM 768 CD1 LEU A 51 26.588 -17.298 -23.945 1.00 32.53 C ATOM 769 CD2 LEU A 51 24.472 -17.648 -25.232 1.00 13.32 C ATOM 0 H LEU A 51 26.899 -14.566 -22.997 1.00 13.41 H new ATOM 0 HA LEU A 51 24.735 -13.852 -24.846 1.00 12.21 H new ATOM 0 HB2 LEU A 51 24.918 -15.976 -22.681 1.00 2.30 H new ATOM 0 HB3 LEU A 51 23.623 -15.806 -23.849 1.00 2.30 H new ATOM 0 HG LEU A 51 25.835 -16.025 -25.480 1.00 72.40 H new ATOM 0 HD11 LEU A 51 27.100 -17.965 -24.639 1.00 32.53 H new ATOM 0 HD12 LEU A 51 27.288 -16.545 -23.582 1.00 32.53 H new ATOM 0 HD13 LEU A 51 26.207 -17.875 -23.102 1.00 32.53 H new ATOM 0 HD21 LEU A 51 25.013 -18.310 -25.908 1.00 13.32 H new ATOM 0 HD22 LEU A 51 24.038 -18.233 -24.421 1.00 13.32 H new ATOM 0 HD23 LEU A 51 23.677 -17.141 -25.779 1.00 13.32 H new ATOM 781 N GLN A 52 24.587 -13.526 -21.554 1.00 54.33 N ATOM 782 CA GLN A 52 23.909 -12.809 -20.480 1.00 74.34 C ATOM 783 C GLN A 52 23.787 -11.325 -20.808 1.00 44.20 C ATOM 784 O GLN A 52 22.747 -10.711 -20.573 1.00 60.22 O ATOM 785 CB GLN A 52 24.662 -12.993 -19.162 1.00 14.14 C ATOM 786 CG GLN A 52 24.116 -14.121 -18.301 1.00 73.13 C ATOM 787 CD GLN A 52 25.112 -15.248 -18.116 1.00 25.22 C ATOM 788 OE1 GLN A 52 25.499 -15.572 -16.992 1.00 41.24 O ATOM 789 NE2 GLN A 52 25.534 -15.853 -19.220 1.00 24.41 N ATOM 0 H GLN A 52 25.344 -14.135 -21.243 1.00 54.33 H new ATOM 0 HA GLN A 52 22.906 -13.222 -20.378 1.00 74.34 H new ATOM 0 HB2 GLN A 52 25.713 -13.188 -19.378 1.00 14.14 H new ATOM 0 HB3 GLN A 52 24.620 -12.062 -18.596 1.00 14.14 H new ATOM 0 HG2 GLN A 52 23.836 -13.725 -17.325 1.00 73.13 H new ATOM 0 HG3 GLN A 52 23.208 -14.515 -18.758 1.00 73.13 H new ATOM 0 HE21 GLN A 52 25.187 -15.552 -20.131 1.00 24.41 H new ATOM 0 HE22 GLN A 52 26.205 -16.619 -19.157 1.00 24.41 H new ATOM 798 N GLU A 53 24.858 -10.754 -21.351 1.00 62.23 N ATOM 799 CA GLU A 53 24.871 -9.341 -21.710 1.00 11.24 C ATOM 800 C GLU A 53 23.610 -8.964 -22.482 1.00 32.10 C ATOM 801 O GLU A 53 23.005 -7.921 -22.235 1.00 50.51 O ATOM 802 CB GLU A 53 26.110 -9.015 -22.545 1.00 45.23 C ATOM 803 CG GLU A 53 26.221 -9.838 -23.818 1.00 34.14 C ATOM 804 CD GLU A 53 27.479 -9.530 -24.605 1.00 4.21 C ATOM 805 OE1 GLU A 53 28.350 -8.810 -24.072 1.00 62.31 O ATOM 806 OE2 GLU A 53 27.594 -10.007 -25.753 1.00 33.31 O ATOM 0 H GLU A 53 25.727 -11.248 -21.552 1.00 62.23 H new ATOM 0 HA GLU A 53 24.900 -8.759 -20.789 1.00 11.24 H new ATOM 0 HB2 GLU A 53 26.093 -7.957 -22.807 1.00 45.23 H new ATOM 0 HB3 GLU A 53 27.000 -9.179 -21.938 1.00 45.23 H new ATOM 0 HG2 GLU A 53 26.207 -10.898 -23.563 1.00 34.14 H new ATOM 0 HG3 GLU A 53 25.350 -9.649 -24.445 1.00 34.14 H new ATOM 813 N LYS A 54 23.219 -9.821 -23.419 1.00 70.10 N ATOM 814 CA LYS A 54 22.030 -9.581 -24.228 1.00 42.14 C ATOM 815 C LYS A 54 20.780 -9.528 -23.356 1.00 52.24 C ATOM 816 O LYS A 54 19.926 -8.659 -23.531 1.00 53.55 O ATOM 817 CB LYS A 54 21.880 -10.675 -25.288 1.00 11.10 C ATOM 818 CG LYS A 54 22.879 -10.561 -26.426 1.00 4.01 C ATOM 819 CD LYS A 54 23.899 -11.687 -26.387 1.00 4.40 C ATOM 820 CE LYS A 54 23.281 -13.013 -26.801 1.00 64.22 C ATOM 821 NZ LYS A 54 24.235 -13.849 -27.582 1.00 73.41 N ATOM 0 H LYS A 54 23.709 -10.689 -23.637 1.00 70.10 H new ATOM 0 HA LYS A 54 22.147 -8.617 -24.723 1.00 42.14 H new ATOM 0 HB2 LYS A 54 21.994 -11.649 -24.812 1.00 11.10 H new ATOM 0 HB3 LYS A 54 20.870 -10.637 -25.697 1.00 11.10 H new ATOM 0 HG2 LYS A 54 22.350 -10.581 -27.379 1.00 4.01 H new ATOM 0 HG3 LYS A 54 23.392 -9.601 -26.366 1.00 4.01 H new ATOM 0 HD2 LYS A 54 24.731 -11.449 -27.050 1.00 4.40 H new ATOM 0 HD3 LYS A 54 24.309 -11.774 -25.381 1.00 4.40 H new ATOM 0 HE2 LYS A 54 22.963 -13.559 -25.913 1.00 64.22 H new ATOM 0 HE3 LYS A 54 22.388 -12.827 -27.398 1.00 64.22 H new ATOM 0 HZ1 LYS A 54 23.777 -14.744 -27.846 1.00 73.41 H new ATOM 0 HZ2 LYS A 54 24.519 -13.339 -28.443 1.00 73.41 H new ATOM 0 HZ3 LYS A 54 25.076 -14.048 -27.004 1.00 73.41 H new ATOM 835 N TYR A 55 20.680 -10.461 -22.417 1.00 34.33 N ATOM 836 CA TYR A 55 19.533 -10.521 -21.518 1.00 20.01 C ATOM 837 C TYR A 55 19.533 -9.337 -20.556 1.00 14.10 C ATOM 838 O TYR A 55 18.478 -8.882 -20.112 1.00 41.13 O ATOM 839 CB TYR A 55 19.544 -11.832 -20.730 1.00 75.24 C ATOM 840 CG TYR A 55 19.815 -13.050 -21.585 1.00 14.30 C ATOM 841 CD1 TYR A 55 19.306 -13.145 -22.875 1.00 12.45 C ATOM 842 CD2 TYR A 55 20.578 -14.105 -21.103 1.00 23.41 C ATOM 843 CE1 TYR A 55 19.550 -14.255 -23.659 1.00 21.31 C ATOM 844 CE2 TYR A 55 20.829 -15.219 -21.881 1.00 20.23 C ATOM 845 CZ TYR A 55 20.313 -15.290 -23.158 1.00 13.43 C ATOM 846 OH TYR A 55 20.559 -16.398 -23.935 1.00 71.11 O ATOM 0 H TYR A 55 21.379 -11.187 -22.258 1.00 34.33 H new ATOM 0 HA TYR A 55 18.627 -10.476 -22.122 1.00 20.01 H new ATOM 0 HB2 TYR A 55 20.302 -11.771 -19.949 1.00 75.24 H new ATOM 0 HB3 TYR A 55 18.582 -11.955 -20.232 1.00 75.24 H new ATOM 0 HD1 TYR A 55 18.709 -12.337 -23.271 1.00 12.45 H new ATOM 0 HD2 TYR A 55 20.982 -14.054 -20.103 1.00 23.41 H new ATOM 0 HE1 TYR A 55 19.146 -14.313 -24.659 1.00 21.31 H new ATOM 0 HE2 TYR A 55 21.426 -16.030 -21.491 1.00 20.23 H new ATOM 0 HH TYR A 55 21.113 -17.033 -23.434 1.00 71.11 H new ATOM 856 N LYS A 56 20.724 -8.841 -20.238 1.00 34.33 N ATOM 857 CA LYS A 56 20.864 -7.709 -19.330 1.00 40.22 C ATOM 858 C LYS A 56 20.686 -6.390 -20.075 1.00 11.52 C ATOM 859 O LYS A 56 20.351 -5.368 -19.475 1.00 2.00 O ATOM 860 CB LYS A 56 22.234 -7.741 -18.649 1.00 61.32 C ATOM 861 CG LYS A 56 22.513 -9.036 -17.905 1.00 51.31 C ATOM 862 CD LYS A 56 23.978 -9.428 -17.998 1.00 1.32 C ATOM 863 CE LYS A 56 24.869 -8.431 -17.272 1.00 33.35 C ATOM 864 NZ LYS A 56 25.554 -7.508 -18.218 1.00 25.14 N ATOM 0 H LYS A 56 21.607 -9.206 -20.596 1.00 34.33 H new ATOM 0 HA LYS A 56 20.086 -7.786 -18.571 1.00 40.22 H new ATOM 0 HB2 LYS A 56 23.008 -7.590 -19.401 1.00 61.32 H new ATOM 0 HB3 LYS A 56 22.302 -6.908 -17.950 1.00 61.32 H new ATOM 0 HG2 LYS A 56 22.231 -8.923 -16.858 1.00 51.31 H new ATOM 0 HG3 LYS A 56 21.895 -9.834 -18.317 1.00 51.31 H new ATOM 0 HD2 LYS A 56 24.118 -10.421 -17.571 1.00 1.32 H new ATOM 0 HD3 LYS A 56 24.274 -9.487 -19.045 1.00 1.32 H new ATOM 0 HE2 LYS A 56 24.269 -7.852 -16.570 1.00 33.35 H new ATOM 0 HE3 LYS A 56 25.614 -8.969 -16.686 1.00 33.35 H new ATOM 0 HZ1 LYS A 56 26.298 -6.984 -17.714 1.00 25.14 H new ATOM 0 HZ2 LYS A 56 25.980 -8.057 -18.992 1.00 25.14 H new ATOM 0 HZ3 LYS A 56 24.863 -6.837 -18.610 1.00 25.14 H new ATOM 878 N TRP A 57 20.910 -6.419 -21.383 1.00 61.44 N ATOM 879 CA TRP A 57 20.773 -5.225 -22.210 1.00 34.43 C ATOM 880 C TRP A 57 19.362 -5.116 -22.777 1.00 53.32 C ATOM 881 O TRP A 57 18.869 -4.017 -23.028 1.00 15.40 O ATOM 882 CB TRP A 57 21.793 -5.248 -23.349 1.00 4.15 C ATOM 883 CG TRP A 57 22.013 -3.905 -23.976 1.00 3.42 C ATOM 884 CD1 TRP A 57 22.684 -2.846 -23.432 1.00 72.25 C ATOM 885 CD2 TRP A 57 21.559 -3.476 -25.264 1.00 45.13 C ATOM 886 NE1 TRP A 57 22.674 -1.785 -24.306 1.00 21.24 N ATOM 887 CE2 TRP A 57 21.992 -2.146 -25.437 1.00 74.30 C ATOM 888 CE3 TRP A 57 20.832 -4.086 -26.290 1.00 23.23 C ATOM 889 CZ2 TRP A 57 21.718 -1.419 -26.593 1.00 22.35 C ATOM 890 CZ3 TRP A 57 20.562 -3.363 -27.436 1.00 35.22 C ATOM 891 CH2 TRP A 57 21.004 -2.042 -27.580 1.00 42.42 C ATOM 0 H TRP A 57 21.188 -7.257 -21.895 1.00 61.44 H new ATOM 0 HA TRP A 57 20.961 -4.354 -21.582 1.00 34.43 H new ATOM 0 HB2 TRP A 57 22.743 -5.624 -22.969 1.00 4.15 H new ATOM 0 HB3 TRP A 57 21.457 -5.948 -24.114 1.00 4.15 H new ATOM 0 HD1 TRP A 57 23.153 -2.843 -22.459 1.00 72.25 H new ATOM 0 HE1 TRP A 57 23.105 -0.876 -24.139 1.00 21.24 H new ATOM 0 HE3 TRP A 57 20.487 -5.105 -26.189 1.00 23.23 H new ATOM 0 HZ2 TRP A 57 22.057 -0.400 -26.706 1.00 22.35 H new ATOM 0 HZ3 TRP A 57 20.000 -3.825 -28.235 1.00 35.22 H new ATOM 0 HH2 TRP A 57 20.777 -1.504 -28.489 1.00 42.42 H new ATOM 902 N GLU A 58 18.718 -6.261 -22.977 1.00 71.40 N ATOM 903 CA GLU A 58 17.363 -6.292 -23.516 1.00 3.21 C ATOM 904 C GLU A 58 16.335 -6.033 -22.418 1.00 62.12 C ATOM 905 O GLU A 58 15.305 -5.402 -22.654 1.00 62.41 O ATOM 906 CB GLU A 58 17.086 -7.641 -24.182 1.00 73.01 C ATOM 907 CG GLU A 58 17.898 -7.875 -25.444 1.00 64.23 C ATOM 908 CD GLU A 58 17.105 -7.604 -26.708 1.00 0.32 C ATOM 909 OE1 GLU A 58 16.761 -6.429 -26.952 1.00 42.51 O ATOM 910 OE2 GLU A 58 16.828 -8.568 -27.452 1.00 44.54 O ATOM 0 H GLU A 58 19.112 -7.180 -22.774 1.00 71.40 H new ATOM 0 HA GLU A 58 17.278 -5.503 -24.263 1.00 3.21 H new ATOM 0 HB2 GLU A 58 17.299 -8.439 -23.470 1.00 73.01 H new ATOM 0 HB3 GLU A 58 16.025 -7.706 -24.425 1.00 73.01 H new ATOM 0 HG2 GLU A 58 18.779 -7.234 -25.428 1.00 64.23 H new ATOM 0 HG3 GLU A 58 18.254 -8.905 -25.457 1.00 64.23 H new ATOM 917 N ALA A 59 16.623 -6.526 -21.218 1.00 1.20 N ATOM 918 CA ALA A 59 15.726 -6.347 -20.083 1.00 75.35 C ATOM 919 C ALA A 59 15.663 -4.884 -19.658 1.00 75.22 C ATOM 920 O ALA A 59 14.595 -4.271 -19.669 1.00 5.51 O ATOM 921 CB ALA A 59 16.168 -7.219 -18.918 1.00 23.21 C ATOM 0 H ALA A 59 17.471 -7.053 -21.007 1.00 1.20 H new ATOM 0 HA ALA A 59 14.726 -6.652 -20.391 1.00 75.35 H new ATOM 0 HB1 ALA A 59 15.489 -7.075 -18.078 1.00 23.21 H new ATOM 0 HB2 ALA A 59 16.153 -8.266 -19.221 1.00 23.21 H new ATOM 0 HB3 ALA A 59 17.179 -6.942 -18.619 1.00 23.21 H new ATOM 927 N TRP A 60 16.811 -4.332 -19.284 1.00 31.11 N ATOM 928 CA TRP A 60 16.885 -2.940 -18.854 1.00 22.31 C ATOM 929 C TRP A 60 16.355 -2.007 -19.937 1.00 33.14 C ATOM 930 O TRP A 60 15.842 -0.928 -19.642 1.00 60.30 O ATOM 931 CB TRP A 60 18.328 -2.569 -18.505 1.00 75.22 C ATOM 932 CG TRP A 60 18.452 -1.235 -17.833 1.00 33.51 C ATOM 933 CD1 TRP A 60 17.446 -0.507 -17.265 1.00 33.33 C ATOM 934 CD2 TRP A 60 19.650 -0.471 -17.661 1.00 12.23 C ATOM 935 NE1 TRP A 60 17.946 0.664 -16.750 1.00 4.23 N ATOM 936 CE2 TRP A 60 19.296 0.710 -16.979 1.00 21.01 C ATOM 937 CE3 TRP A 60 20.987 -0.669 -18.014 1.00 61.51 C ATOM 938 CZ2 TRP A 60 20.232 1.686 -16.646 1.00 72.14 C ATOM 939 CZ3 TRP A 60 21.915 0.300 -17.684 1.00 15.23 C ATOM 940 CH2 TRP A 60 21.534 1.465 -17.005 1.00 11.42 C ATOM 0 H TRP A 60 17.703 -4.826 -19.270 1.00 31.11 H new ATOM 0 HA TRP A 60 16.263 -2.826 -17.966 1.00 22.31 H new ATOM 0 HB2 TRP A 60 18.745 -3.336 -17.853 1.00 75.22 H new ATOM 0 HB3 TRP A 60 18.925 -2.566 -19.417 1.00 75.22 H new ATOM 0 HD1 TRP A 60 16.409 -0.808 -17.226 1.00 33.33 H new ATOM 0 HE1 TRP A 60 17.401 1.383 -16.274 1.00 4.23 H new ATOM 0 HE3 TRP A 60 21.290 -1.564 -18.536 1.00 61.51 H new ATOM 0 HZ2 TRP A 60 19.941 2.585 -16.123 1.00 72.14 H new ATOM 0 HZ3 TRP A 60 22.951 0.157 -17.954 1.00 15.23 H new ATOM 0 HH2 TRP A 60 22.283 2.203 -16.760 1.00 11.42 H new ATOM 951 N ASN A 61 16.481 -2.430 -21.190 1.00 42.34 N ATOM 952 CA ASN A 61 16.014 -1.630 -22.317 1.00 61.32 C ATOM 953 C ASN A 61 14.532 -1.877 -22.582 1.00 11.34 C ATOM 954 O ASN A 61 13.851 -1.044 -23.179 1.00 13.33 O ATOM 955 CB ASN A 61 16.828 -1.955 -23.571 1.00 41.55 C ATOM 956 CG ASN A 61 16.311 -1.230 -24.799 1.00 61.25 C ATOM 957 OD1 ASN A 61 16.623 -0.060 -25.021 1.00 20.02 O ATOM 958 ND2 ASN A 61 15.516 -1.925 -25.605 1.00 10.12 N ATOM 0 H ASN A 61 16.902 -3.322 -21.451 1.00 42.34 H new ATOM 0 HA ASN A 61 16.150 -0.578 -22.065 1.00 61.32 H new ATOM 0 HB2 ASN A 61 17.871 -1.684 -23.405 1.00 41.55 H new ATOM 0 HB3 ASN A 61 16.802 -3.030 -23.749 1.00 41.55 H new ATOM 0 HD21 ASN A 61 15.138 -1.491 -26.447 1.00 10.12 H new ATOM 0 HD22 ASN A 61 15.284 -2.893 -25.382 1.00 10.12 H new ATOM 965 N ALA A 62 14.039 -3.026 -22.132 1.00 63.30 N ATOM 966 CA ALA A 62 12.638 -3.381 -22.317 1.00 72.44 C ATOM 967 C ALA A 62 11.740 -2.583 -21.378 1.00 43.33 C ATOM 968 O ALA A 62 10.565 -2.356 -21.669 1.00 41.04 O ATOM 969 CB ALA A 62 12.438 -4.874 -22.099 1.00 2.10 C ATOM 0 H ALA A 62 14.590 -3.727 -21.636 1.00 63.30 H new ATOM 0 HA ALA A 62 12.359 -3.134 -23.341 1.00 72.44 H new ATOM 0 HB1 ALA A 62 11.387 -5.125 -22.240 1.00 2.10 H new ATOM 0 HB2 ALA A 62 13.043 -5.430 -22.815 1.00 2.10 H new ATOM 0 HB3 ALA A 62 12.741 -5.137 -21.086 1.00 2.10 H new ATOM 975 N LEU A 63 12.300 -2.159 -20.251 1.00 2.14 N ATOM 976 CA LEU A 63 11.550 -1.385 -19.267 1.00 71.44 C ATOM 977 C LEU A 63 11.819 0.107 -19.428 1.00 43.33 C ATOM 978 O LEU A 63 11.487 0.906 -18.552 1.00 41.03 O ATOM 979 CB LEU A 63 11.916 -1.832 -17.851 1.00 2.41 C ATOM 980 CG LEU A 63 11.266 -3.128 -17.366 1.00 62.14 C ATOM 981 CD1 LEU A 63 11.775 -4.314 -18.171 1.00 44.32 C ATOM 982 CD2 LEU A 63 11.531 -3.335 -15.882 1.00 61.33 C ATOM 0 H LEU A 63 13.271 -2.338 -19.995 1.00 2.14 H new ATOM 0 HA LEU A 63 10.488 -1.563 -19.434 1.00 71.44 H new ATOM 0 HB2 LEU A 63 12.998 -1.950 -17.797 1.00 2.41 H new ATOM 0 HB3 LEU A 63 11.648 -1.034 -17.159 1.00 2.41 H new ATOM 0 HG LEU A 63 10.189 -3.050 -17.515 1.00 62.14 H new ATOM 0 HD11 LEU A 63 11.301 -5.228 -17.812 1.00 44.32 H new ATOM 0 HD12 LEU A 63 11.533 -4.170 -19.224 1.00 44.32 H new ATOM 0 HD13 LEU A 63 12.856 -4.396 -18.055 1.00 44.32 H new ATOM 0 HD21 LEU A 63 11.061 -4.262 -15.554 1.00 61.33 H new ATOM 0 HD22 LEU A 63 12.606 -3.392 -15.709 1.00 61.33 H new ATOM 0 HD23 LEU A 63 11.117 -2.499 -15.318 1.00 61.33 H new ATOM 994 N ARG A 64 12.421 0.477 -20.554 1.00 64.30 N ATOM 995 CA ARG A 64 12.734 1.874 -20.830 1.00 63.42 C ATOM 996 C ARG A 64 11.482 2.741 -20.734 1.00 24.42 C ATOM 997 O ARG A 64 10.517 2.538 -21.469 1.00 13.34 O ATOM 998 CB ARG A 64 13.359 2.013 -22.220 1.00 13.42 C ATOM 999 CG ARG A 64 12.467 1.508 -23.342 1.00 14.41 C ATOM 1000 CD ARG A 64 13.224 1.416 -24.657 1.00 41.53 C ATOM 1001 NE ARG A 64 13.546 2.735 -25.197 1.00 74.10 N ATOM 1002 CZ ARG A 64 12.657 3.521 -25.795 1.00 22.11 C ATOM 1003 NH1 ARG A 64 11.399 3.124 -25.928 1.00 64.54 N ATOM 1004 NH2 ARG A 64 13.026 4.707 -26.260 1.00 43.52 N ATOM 0 H ARG A 64 12.702 -0.171 -21.290 1.00 64.30 H new ATOM 0 HA ARG A 64 13.449 2.215 -20.081 1.00 63.42 H new ATOM 0 HB2 ARG A 64 13.596 3.062 -22.399 1.00 13.42 H new ATOM 0 HB3 ARG A 64 14.301 1.465 -22.242 1.00 13.42 H new ATOM 0 HG2 ARG A 64 12.071 0.527 -23.080 1.00 14.41 H new ATOM 0 HG3 ARG A 64 11.613 2.176 -23.458 1.00 14.41 H new ATOM 0 HD2 ARG A 64 14.144 0.851 -24.507 1.00 41.53 H new ATOM 0 HD3 ARG A 64 12.626 0.864 -25.382 1.00 41.53 H new ATOM 0 HE ARG A 64 14.505 3.071 -25.110 1.00 74.10 H new ATOM 0 HH11 ARG A 64 11.111 2.213 -25.571 1.00 64.54 H new ATOM 0 HH12 ARG A 64 10.719 3.730 -26.387 1.00 64.54 H new ATOM 0 HH21 ARG A 64 13.993 5.016 -26.159 1.00 43.52 H new ATOM 0 HH22 ARG A 64 12.343 5.310 -26.719 1.00 43.52 H new ATOM 1018 N GLY A 65 11.507 3.707 -19.821 1.00 52.31 N ATOM 1019 CA GLY A 65 10.368 4.590 -19.645 1.00 24.13 C ATOM 1020 C GLY A 65 9.589 4.285 -18.381 1.00 10.32 C ATOM 1021 O GLY A 65 8.808 5.112 -17.911 1.00 2.31 O ATOM 0 H GLY A 65 12.295 3.894 -19.200 1.00 52.31 H new ATOM 0 HA2 GLY A 65 10.714 5.623 -19.615 1.00 24.13 H new ATOM 0 HA3 GLY A 65 9.706 4.501 -20.507 1.00 24.13 H new ATOM 1025 N MET A 66 9.800 3.094 -17.830 1.00 53.31 N ATOM 1026 CA MET A 66 9.110 2.683 -16.613 1.00 31.21 C ATOM 1027 C MET A 66 9.257 3.738 -15.521 1.00 40.14 C ATOM 1028 O MET A 66 10.246 4.469 -15.481 1.00 45.32 O ATOM 1029 CB MET A 66 9.657 1.342 -16.119 1.00 43.14 C ATOM 1030 CG MET A 66 8.723 0.619 -15.163 1.00 53.12 C ATOM 1031 SD MET A 66 7.771 -0.681 -15.972 1.00 62.42 S ATOM 1032 CE MET A 66 8.608 -2.143 -15.362 1.00 43.33 C ATOM 0 H MET A 66 10.443 2.397 -18.207 1.00 53.31 H new ATOM 0 HA MET A 66 8.051 2.572 -16.846 1.00 31.21 H new ATOM 0 HB2 MET A 66 9.852 0.700 -16.978 1.00 43.14 H new ATOM 0 HB3 MET A 66 10.613 1.510 -15.623 1.00 43.14 H new ATOM 0 HG2 MET A 66 9.306 0.185 -14.351 1.00 53.12 H new ATOM 0 HG3 MET A 66 8.039 1.340 -14.715 1.00 53.12 H new ATOM 0 HE1 MET A 66 8.743 -2.852 -16.179 1.00 43.33 H new ATOM 0 HE2 MET A 66 9.582 -1.864 -14.959 1.00 43.33 H new ATOM 0 HE3 MET A 66 8.009 -2.604 -14.576 1.00 43.33 H new ATOM 1042 N SER A 67 8.266 3.812 -14.638 1.00 64.22 N ATOM 1043 CA SER A 67 8.284 4.781 -13.549 1.00 22.23 C ATOM 1044 C SER A 67 9.030 4.225 -12.339 1.00 73.23 C ATOM 1045 O SER A 67 9.298 3.026 -12.257 1.00 61.41 O ATOM 1046 CB SER A 67 6.856 5.160 -13.152 1.00 21.13 C ATOM 1047 OG SER A 67 6.226 5.914 -14.173 1.00 20.31 O ATOM 0 H SER A 67 7.441 3.213 -14.656 1.00 64.22 H new ATOM 0 HA SER A 67 8.806 5.673 -13.897 1.00 22.23 H new ATOM 0 HB2 SER A 67 6.279 4.257 -12.954 1.00 21.13 H new ATOM 0 HB3 SER A 67 6.873 5.737 -12.227 1.00 21.13 H new ATOM 0 HG SER A 67 5.314 6.142 -13.896 1.00 20.31 H new ATOM 1053 N THR A 68 9.362 5.106 -11.401 1.00 24.43 N ATOM 1054 CA THR A 68 10.078 4.705 -10.196 1.00 12.02 C ATOM 1055 C THR A 68 9.231 3.772 -9.338 1.00 12.11 C ATOM 1056 O THR A 68 9.735 2.795 -8.785 1.00 13.44 O ATOM 1057 CB THR A 68 10.488 5.928 -9.353 1.00 71.43 C ATOM 1058 OG1 THR A 68 11.318 6.800 -10.128 1.00 3.02 O ATOM 1059 CG2 THR A 68 11.230 5.495 -8.098 1.00 10.33 C ATOM 0 H THR A 68 9.147 6.102 -11.452 1.00 24.43 H new ATOM 0 HA THR A 68 10.976 4.180 -10.522 1.00 12.02 H new ATOM 0 HB THR A 68 9.583 6.458 -9.056 1.00 71.43 H new ATOM 0 HG1 THR A 68 11.573 7.576 -9.586 1.00 3.02 H new ATOM 0 HG21 THR A 68 11.509 6.375 -7.519 1.00 10.33 H new ATOM 0 HG22 THR A 68 10.585 4.855 -7.497 1.00 10.33 H new ATOM 0 HG23 THR A 68 12.128 4.945 -8.378 1.00 10.33 H new ATOM 1067 N GLU A 69 7.942 4.080 -9.233 1.00 33.52 N ATOM 1068 CA GLU A 69 7.025 3.267 -8.441 1.00 64.03 C ATOM 1069 C GLU A 69 6.745 1.935 -9.131 1.00 24.21 C ATOM 1070 O GLU A 69 6.544 0.914 -8.474 1.00 32.34 O ATOM 1071 CB GLU A 69 5.713 4.019 -8.208 1.00 63.22 C ATOM 1072 CG GLU A 69 5.885 5.318 -7.439 1.00 54.02 C ATOM 1073 CD GLU A 69 4.561 5.919 -7.006 1.00 62.53 C ATOM 1074 OE1 GLU A 69 3.984 5.430 -6.012 1.00 44.33 O ATOM 1075 OE2 GLU A 69 4.103 6.878 -7.662 1.00 72.51 O ATOM 0 H GLU A 69 7.509 4.885 -9.686 1.00 33.52 H new ATOM 0 HA GLU A 69 7.496 3.066 -7.479 1.00 64.03 H new ATOM 0 HB2 GLU A 69 5.252 4.235 -9.172 1.00 63.22 H new ATOM 0 HB3 GLU A 69 5.025 3.372 -7.663 1.00 63.22 H new ATOM 0 HG2 GLU A 69 6.502 5.136 -6.559 1.00 54.02 H new ATOM 0 HG3 GLU A 69 6.420 6.036 -8.061 1.00 54.02 H new ATOM 1082 N SER A 70 6.734 1.954 -10.460 1.00 21.11 N ATOM 1083 CA SER A 70 6.474 0.749 -11.240 1.00 5.34 C ATOM 1084 C SER A 70 7.553 -0.301 -10.991 1.00 74.34 C ATOM 1085 O SER A 70 7.255 -1.437 -10.621 1.00 50.45 O ATOM 1086 CB SER A 70 6.408 1.086 -12.731 1.00 32.25 C ATOM 1087 OG SER A 70 5.096 1.463 -13.110 1.00 74.21 O ATOM 0 H SER A 70 6.902 2.790 -11.019 1.00 21.11 H new ATOM 0 HA SER A 70 5.514 0.341 -10.925 1.00 5.34 H new ATOM 0 HB2 SER A 70 7.102 1.896 -12.955 1.00 32.25 H new ATOM 0 HB3 SER A 70 6.726 0.223 -13.317 1.00 32.25 H new ATOM 0 HG SER A 70 5.080 1.675 -14.067 1.00 74.21 H new ATOM 1093 N ALA A 71 8.807 0.087 -11.198 1.00 72.11 N ATOM 1094 CA ALA A 71 9.930 -0.819 -10.995 1.00 62.54 C ATOM 1095 C ALA A 71 9.961 -1.344 -9.564 1.00 2.33 C ATOM 1096 O ALA A 71 10.184 -2.532 -9.331 1.00 71.01 O ATOM 1097 CB ALA A 71 11.239 -0.121 -11.332 1.00 43.02 C ATOM 0 H ALA A 71 9.070 1.023 -11.506 1.00 72.11 H new ATOM 0 HA ALA A 71 9.803 -1.671 -11.663 1.00 62.54 H new ATOM 0 HB1 ALA A 71 12.069 -0.810 -11.176 1.00 43.02 H new ATOM 0 HB2 ALA A 71 11.223 0.198 -12.374 1.00 43.02 H new ATOM 0 HB3 ALA A 71 11.364 0.749 -10.688 1.00 43.02 H new ATOM 1103 N LYS A 72 9.737 -0.450 -8.606 1.00 41.14 N ATOM 1104 CA LYS A 72 9.739 -0.822 -7.197 1.00 14.45 C ATOM 1105 C LYS A 72 8.663 -1.864 -6.907 1.00 63.05 C ATOM 1106 O LYS A 72 8.926 -2.875 -6.257 1.00 71.11 O ATOM 1107 CB LYS A 72 9.514 0.414 -6.322 1.00 2.11 C ATOM 1108 CG LYS A 72 10.682 1.385 -6.330 1.00 2.12 C ATOM 1109 CD LYS A 72 10.285 2.739 -5.766 1.00 44.22 C ATOM 1110 CE LYS A 72 11.487 3.481 -5.201 1.00 13.40 C ATOM 1111 NZ LYS A 72 11.190 4.923 -4.971 1.00 65.42 N ATOM 0 H LYS A 72 9.552 0.538 -8.781 1.00 41.14 H new ATOM 0 HA LYS A 72 10.712 -1.255 -6.963 1.00 14.45 H new ATOM 0 HB2 LYS A 72 8.619 0.933 -6.664 1.00 2.11 H new ATOM 0 HB3 LYS A 72 9.325 0.094 -5.297 1.00 2.11 H new ATOM 0 HG2 LYS A 72 11.503 0.972 -5.744 1.00 2.12 H new ATOM 0 HG3 LYS A 72 11.048 1.507 -7.350 1.00 2.12 H new ATOM 0 HD2 LYS A 72 9.821 3.339 -6.549 1.00 44.22 H new ATOM 0 HD3 LYS A 72 9.539 2.604 -4.983 1.00 44.22 H new ATOM 0 HE2 LYS A 72 11.791 3.018 -4.262 1.00 13.40 H new ATOM 0 HE3 LYS A 72 12.327 3.388 -5.889 1.00 13.40 H new ATOM 0 HZ1 LYS A 72 11.919 5.505 -5.430 1.00 65.42 H new ATOM 0 HZ2 LYS A 72 10.259 5.154 -5.372 1.00 65.42 H new ATOM 0 HZ3 LYS A 72 11.185 5.118 -3.949 1.00 65.42 H new ATOM 1125 N GLU A 73 7.453 -1.611 -7.396 1.00 42.14 N ATOM 1126 CA GLU A 73 6.339 -2.529 -7.190 1.00 43.01 C ATOM 1127 C GLU A 73 6.658 -3.908 -7.760 1.00 25.23 C ATOM 1128 O GLU A 73 6.086 -4.913 -7.339 1.00 54.11 O ATOM 1129 CB GLU A 73 5.068 -1.978 -7.840 1.00 64.22 C ATOM 1130 CG GLU A 73 3.870 -1.950 -6.906 1.00 61.24 C ATOM 1131 CD GLU A 73 2.559 -1.761 -7.645 1.00 23.41 C ATOM 1132 OE1 GLU A 73 2.223 -0.603 -7.968 1.00 15.11 O ATOM 1133 OE2 GLU A 73 1.870 -2.771 -7.900 1.00 24.24 O ATOM 0 H GLU A 73 7.219 -0.779 -7.937 1.00 42.14 H new ATOM 0 HA GLU A 73 6.176 -2.627 -6.117 1.00 43.01 H new ATOM 0 HB2 GLU A 73 5.262 -0.967 -8.199 1.00 64.22 H new ATOM 0 HB3 GLU A 73 4.824 -2.584 -8.712 1.00 64.22 H new ATOM 0 HG2 GLU A 73 3.833 -2.881 -6.340 1.00 61.24 H new ATOM 0 HG3 GLU A 73 3.996 -1.143 -6.184 1.00 61.24 H new ATOM 1140 N ALA A 74 7.576 -3.947 -8.720 1.00 25.41 N ATOM 1141 CA ALA A 74 7.973 -5.202 -9.347 1.00 23.24 C ATOM 1142 C ALA A 74 9.039 -5.915 -8.521 1.00 61.12 C ATOM 1143 O ALA A 74 9.159 -7.139 -8.569 1.00 63.52 O ATOM 1144 CB ALA A 74 8.478 -4.950 -10.759 1.00 44.25 C ATOM 0 H ALA A 74 8.059 -3.124 -9.081 1.00 25.41 H new ATOM 0 HA ALA A 74 7.096 -5.848 -9.397 1.00 23.24 H new ATOM 0 HB1 ALA A 74 8.771 -5.896 -11.215 1.00 44.25 H new ATOM 0 HB2 ALA A 74 7.687 -4.491 -11.352 1.00 44.25 H new ATOM 0 HB3 ALA A 74 9.339 -4.282 -10.724 1.00 44.25 H new ATOM 1150 N TYR A 75 9.811 -5.142 -7.766 1.00 12.23 N ATOM 1151 CA TYR A 75 10.869 -5.700 -6.932 1.00 41.50 C ATOM 1152 C TYR A 75 10.285 -6.437 -5.731 1.00 11.53 C ATOM 1153 O TYR A 75 10.882 -7.383 -5.218 1.00 32.22 O ATOM 1154 CB TYR A 75 11.810 -4.591 -6.456 1.00 70.34 C ATOM 1155 CG TYR A 75 13.207 -5.076 -6.143 1.00 23.42 C ATOM 1156 CD1 TYR A 75 13.450 -5.893 -5.045 1.00 2.42 C ATOM 1157 CD2 TYR A 75 14.285 -4.718 -6.944 1.00 34.14 C ATOM 1158 CE1 TYR A 75 14.725 -6.338 -4.754 1.00 2.22 C ATOM 1159 CE2 TYR A 75 15.563 -5.160 -6.661 1.00 54.21 C ATOM 1160 CZ TYR A 75 15.778 -5.969 -5.565 1.00 71.12 C ATOM 1161 OH TYR A 75 17.050 -6.410 -5.280 1.00 12.03 O ATOM 0 H TYR A 75 9.724 -4.127 -7.714 1.00 12.23 H new ATOM 0 HA TYR A 75 11.433 -6.413 -7.533 1.00 41.50 H new ATOM 0 HB2 TYR A 75 11.866 -3.819 -7.223 1.00 70.34 H new ATOM 0 HB3 TYR A 75 11.388 -4.125 -5.565 1.00 70.34 H new ATOM 0 HD1 TYR A 75 12.628 -6.185 -4.408 1.00 2.42 H new ATOM 0 HD2 TYR A 75 14.121 -4.083 -7.802 1.00 34.14 H new ATOM 0 HE1 TYR A 75 14.896 -6.971 -3.896 1.00 2.22 H new ATOM 0 HE2 TYR A 75 16.389 -4.873 -7.295 1.00 54.21 H new ATOM 0 HH TYR A 75 17.691 -5.686 -5.440 1.00 12.03 H new ATOM 1171 N VAL A 76 9.112 -5.995 -5.287 1.00 22.11 N ATOM 1172 CA VAL A 76 8.445 -6.613 -4.147 1.00 55.53 C ATOM 1173 C VAL A 76 7.681 -7.863 -4.569 1.00 12.20 C ATOM 1174 O VAL A 76 7.557 -8.817 -3.801 1.00 64.32 O ATOM 1175 CB VAL A 76 7.469 -5.632 -3.470 1.00 34.21 C ATOM 1176 CG1 VAL A 76 6.874 -6.252 -2.215 1.00 31.33 C ATOM 1177 CG2 VAL A 76 8.170 -4.322 -3.146 1.00 53.53 C ATOM 0 H VAL A 76 8.605 -5.212 -5.699 1.00 22.11 H new ATOM 0 HA VAL A 76 9.223 -6.890 -3.436 1.00 55.53 H new ATOM 0 HB VAL A 76 6.655 -5.420 -4.163 1.00 34.21 H new ATOM 0 HG11 VAL A 76 6.187 -5.545 -1.750 1.00 31.33 H new ATOM 0 HG12 VAL A 76 6.334 -7.162 -2.479 1.00 31.33 H new ATOM 0 HG13 VAL A 76 7.673 -6.495 -1.515 1.00 31.33 H new ATOM 0 HG21 VAL A 76 7.466 -3.641 -2.668 1.00 53.53 H new ATOM 0 HG22 VAL A 76 9.004 -4.513 -2.471 1.00 53.53 H new ATOM 0 HG23 VAL A 76 8.543 -3.872 -4.066 1.00 53.53 H new ATOM 1187 N LYS A 77 7.169 -7.851 -5.795 1.00 63.43 N ATOM 1188 CA LYS A 77 6.418 -8.985 -6.322 1.00 43.31 C ATOM 1189 C LYS A 77 7.357 -10.036 -6.906 1.00 3.51 C ATOM 1190 O LYS A 77 7.141 -11.237 -6.740 1.00 5.24 O ATOM 1191 CB LYS A 77 5.432 -8.515 -7.394 1.00 33.34 C ATOM 1192 CG LYS A 77 4.365 -7.572 -6.866 1.00 53.54 C ATOM 1193 CD LYS A 77 3.338 -8.307 -6.022 1.00 13.12 C ATOM 1194 CE LYS A 77 2.361 -9.088 -6.887 1.00 72.11 C ATOM 1195 NZ LYS A 77 1.379 -9.849 -6.066 1.00 73.23 N ATOM 0 H LYS A 77 7.260 -7.068 -6.443 1.00 63.43 H new ATOM 0 HA LYS A 77 5.864 -9.436 -5.499 1.00 43.31 H new ATOM 0 HB2 LYS A 77 5.984 -8.016 -8.190 1.00 33.34 H new ATOM 0 HB3 LYS A 77 4.949 -9.385 -7.838 1.00 33.34 H new ATOM 0 HG2 LYS A 77 4.833 -6.789 -6.270 1.00 53.54 H new ATOM 0 HG3 LYS A 77 3.866 -7.081 -7.702 1.00 53.54 H new ATOM 0 HD2 LYS A 77 3.847 -8.988 -5.340 1.00 13.12 H new ATOM 0 HD3 LYS A 77 2.791 -7.591 -5.408 1.00 13.12 H new ATOM 0 HE2 LYS A 77 1.829 -8.401 -7.545 1.00 72.11 H new ATOM 0 HE3 LYS A 77 2.913 -9.778 -7.525 1.00 72.11 H new ATOM 0 HZ1 LYS A 77 0.731 -10.368 -6.692 1.00 73.23 H new ATOM 0 HZ2 LYS A 77 1.885 -10.523 -5.456 1.00 73.23 H new ATOM 0 HZ3 LYS A 77 0.835 -9.189 -5.475 1.00 73.23 H new ATOM 1209 N LEU A 78 8.400 -9.576 -7.589 1.00 20.31 N ATOM 1210 CA LEU A 78 9.374 -10.477 -8.196 1.00 74.14 C ATOM 1211 C LEU A 78 10.212 -11.173 -7.129 1.00 11.22 C ATOM 1212 O LEU A 78 10.405 -12.389 -7.170 1.00 52.32 O ATOM 1213 CB LEU A 78 10.284 -9.706 -9.153 1.00 51.44 C ATOM 1214 CG LEU A 78 11.219 -10.551 -10.019 1.00 31.33 C ATOM 1215 CD1 LEU A 78 12.416 -11.023 -9.208 1.00 11.32 C ATOM 1216 CD2 LEU A 78 10.471 -11.738 -10.609 1.00 23.22 C ATOM 0 H LEU A 78 8.593 -8.585 -7.736 1.00 20.31 H new ATOM 0 HA LEU A 78 8.829 -11.237 -8.756 1.00 74.14 H new ATOM 0 HB2 LEU A 78 9.658 -9.103 -9.811 1.00 51.44 H new ATOM 0 HB3 LEU A 78 10.890 -9.014 -8.568 1.00 51.44 H new ATOM 0 HG LEU A 78 11.583 -9.932 -10.839 1.00 31.33 H new ATOM 0 HD11 LEU A 78 13.070 -11.623 -9.841 1.00 11.32 H new ATOM 0 HD12 LEU A 78 12.965 -10.159 -8.834 1.00 11.32 H new ATOM 0 HD13 LEU A 78 12.071 -11.626 -8.368 1.00 11.32 H new ATOM 0 HD21 LEU A 78 11.152 -12.328 -11.222 1.00 23.22 H new ATOM 0 HD22 LEU A 78 10.079 -12.358 -9.803 1.00 23.22 H new ATOM 0 HD23 LEU A 78 9.646 -11.379 -11.225 1.00 23.22 H new ATOM 1228 N LEU A 79 10.706 -10.395 -6.172 1.00 44.23 N ATOM 1229 CA LEU A 79 11.523 -10.936 -5.091 1.00 74.22 C ATOM 1230 C LEU A 79 10.814 -12.098 -4.403 1.00 75.31 C ATOM 1231 O LEU A 79 11.455 -12.967 -3.812 1.00 13.05 O ATOM 1232 CB LEU A 79 11.843 -9.843 -4.070 1.00 55.35 C ATOM 1233 CG LEU A 79 12.671 -10.276 -2.860 1.00 53.22 C ATOM 1234 CD1 LEU A 79 13.900 -11.052 -3.305 1.00 63.41 C ATOM 1235 CD2 LEU A 79 13.073 -9.066 -2.029 1.00 64.32 C ATOM 0 H LEU A 79 10.555 -9.387 -6.123 1.00 44.23 H new ATOM 0 HA LEU A 79 12.454 -11.305 -5.522 1.00 74.22 H new ATOM 0 HB2 LEU A 79 12.376 -9.041 -4.581 1.00 55.35 H new ATOM 0 HB3 LEU A 79 10.903 -9.423 -3.711 1.00 55.35 H new ATOM 0 HG LEU A 79 12.059 -10.931 -2.240 1.00 53.22 H new ATOM 0 HD11 LEU A 79 14.477 -11.352 -2.430 1.00 63.41 H new ATOM 0 HD12 LEU A 79 13.590 -11.939 -3.857 1.00 63.41 H new ATOM 0 HD13 LEU A 79 14.515 -10.422 -3.947 1.00 63.41 H new ATOM 0 HD21 LEU A 79 13.662 -9.393 -1.172 1.00 64.32 H new ATOM 0 HD22 LEU A 79 13.667 -8.386 -2.640 1.00 64.32 H new ATOM 0 HD23 LEU A 79 12.178 -8.551 -1.679 1.00 64.32 H new ATOM 1247 N ASP A 80 9.488 -12.108 -4.487 1.00 32.45 N ATOM 1248 CA ASP A 80 8.691 -13.166 -3.875 1.00 2.43 C ATOM 1249 C ASP A 80 9.050 -14.526 -4.463 1.00 64.44 C ATOM 1250 O ASP A 80 8.940 -15.554 -3.794 1.00 33.03 O ATOM 1251 CB ASP A 80 7.200 -12.889 -4.071 1.00 51.44 C ATOM 1252 CG ASP A 80 6.325 -13.861 -3.305 1.00 55.32 C ATOM 1253 OD1 ASP A 80 6.874 -14.663 -2.522 1.00 62.22 O ATOM 1254 OD2 ASP A 80 5.090 -13.820 -3.489 1.00 52.31 O ATOM 0 H ASP A 80 8.942 -11.396 -4.973 1.00 32.45 H new ATOM 0 HA ASP A 80 8.912 -13.182 -2.808 1.00 2.43 H new ATOM 0 HB2 ASP A 80 6.977 -11.872 -3.748 1.00 51.44 H new ATOM 0 HB3 ASP A 80 6.959 -12.947 -5.132 1.00 51.44 H new ATOM 1259 N THR A 81 9.481 -14.527 -5.721 1.00 54.43 N ATOM 1260 CA THR A 81 9.854 -15.760 -6.401 1.00 71.43 C ATOM 1261 C THR A 81 11.293 -16.150 -6.083 1.00 32.01 C ATOM 1262 O THR A 81 11.681 -17.310 -6.232 1.00 55.44 O ATOM 1263 CB THR A 81 9.695 -15.631 -7.928 1.00 12.21 C ATOM 1264 OG1 THR A 81 9.561 -16.928 -8.518 1.00 63.54 O ATOM 1265 CG2 THR A 81 10.889 -14.911 -8.537 1.00 74.22 C ATOM 0 H THR A 81 9.580 -13.686 -6.289 1.00 54.43 H new ATOM 0 HA THR A 81 9.181 -16.536 -6.038 1.00 71.43 H new ATOM 0 HB THR A 81 8.797 -15.047 -8.130 1.00 12.21 H new ATOM 0 HG1 THR A 81 9.459 -16.837 -9.488 1.00 63.54 H new ATOM 0 HG21 THR A 81 10.755 -14.832 -9.616 1.00 74.22 H new ATOM 0 HG22 THR A 81 10.970 -13.913 -8.107 1.00 74.22 H new ATOM 0 HG23 THR A 81 11.799 -15.472 -8.325 1.00 74.22 H new ATOM 1273 N LEU A 82 12.081 -15.175 -5.643 1.00 30.42 N ATOM 1274 CA LEU A 82 13.479 -15.417 -5.302 1.00 53.10 C ATOM 1275 C LEU A 82 13.620 -15.822 -3.838 1.00 43.52 C ATOM 1276 O LEU A 82 14.125 -16.900 -3.528 1.00 73.32 O ATOM 1277 CB LEU A 82 14.315 -14.167 -5.581 1.00 3.14 C ATOM 1278 CG LEU A 82 13.999 -13.423 -6.879 1.00 24.41 C ATOM 1279 CD1 LEU A 82 14.555 -12.008 -6.833 1.00 31.55 C ATOM 1280 CD2 LEU A 82 14.559 -14.179 -8.076 1.00 15.13 C ATOM 0 H LEU A 82 11.776 -14.210 -5.514 1.00 30.42 H new ATOM 0 HA LEU A 82 13.843 -16.236 -5.922 1.00 53.10 H new ATOM 0 HB2 LEU A 82 14.186 -13.475 -4.749 1.00 3.14 H new ATOM 0 HB3 LEU A 82 15.366 -14.454 -5.597 1.00 3.14 H new ATOM 0 HG LEU A 82 12.916 -13.362 -6.986 1.00 24.41 H new ATOM 0 HD11 LEU A 82 14.320 -11.494 -7.765 1.00 31.55 H new ATOM 0 HD12 LEU A 82 14.107 -11.468 -5.999 1.00 31.55 H new ATOM 0 HD13 LEU A 82 15.636 -12.046 -6.702 1.00 31.55 H new ATOM 0 HD21 LEU A 82 14.325 -13.636 -8.991 1.00 15.13 H new ATOM 0 HD22 LEU A 82 15.640 -14.271 -7.975 1.00 15.13 H new ATOM 0 HD23 LEU A 82 14.113 -15.173 -8.120 1.00 15.13 H new ATOM 1292 N ALA A 83 13.170 -14.949 -2.942 1.00 74.43 N ATOM 1293 CA ALA A 83 13.242 -15.218 -1.511 1.00 40.35 C ATOM 1294 C ALA A 83 11.973 -14.757 -0.802 1.00 24.33 C ATOM 1295 O ALA A 83 11.899 -13.650 -0.268 1.00 74.31 O ATOM 1296 CB ALA A 83 14.463 -14.539 -0.908 1.00 53.43 C ATOM 0 H ALA A 83 12.752 -14.050 -3.182 1.00 74.43 H new ATOM 0 HA ALA A 83 13.333 -16.295 -1.372 1.00 40.35 H new ATOM 0 HB1 ALA A 83 14.505 -14.748 0.161 1.00 53.43 H new ATOM 0 HB2 ALA A 83 15.365 -14.919 -1.388 1.00 53.43 H new ATOM 0 HB3 ALA A 83 14.395 -13.462 -1.065 1.00 53.43 H new ATOM 1302 N PRO A 84 10.950 -15.625 -0.794 1.00 44.23 N ATOM 1303 CA PRO A 84 9.666 -15.329 -0.153 1.00 52.43 C ATOM 1304 C PRO A 84 9.772 -15.290 1.367 1.00 10.04 C ATOM 1305 O PRO A 84 8.813 -14.945 2.058 1.00 73.55 O ATOM 1306 CB PRO A 84 8.772 -16.489 -0.598 1.00 13.24 C ATOM 1307 CG PRO A 84 9.715 -17.605 -0.886 1.00 62.04 C ATOM 1308 CD PRO A 84 10.969 -16.962 -1.411 1.00 23.03 C ATOM 0 HA PRO A 84 9.286 -14.347 -0.436 1.00 52.43 H new ATOM 0 HB2 PRO A 84 8.061 -16.763 0.182 1.00 13.24 H new ATOM 0 HB3 PRO A 84 8.190 -16.224 -1.481 1.00 13.24 H new ATOM 0 HG2 PRO A 84 9.921 -18.184 0.014 1.00 62.04 H new ATOM 0 HG3 PRO A 84 9.293 -18.293 -1.618 1.00 62.04 H new ATOM 0 HD2 PRO A 84 11.858 -17.524 -1.126 1.00 23.03 H new ATOM 0 HD3 PRO A 84 10.965 -16.903 -2.499 1.00 23.03 H new ATOM 1316 N SER A 85 10.944 -15.645 1.883 1.00 23.24 N ATOM 1317 CA SER A 85 11.174 -15.654 3.323 1.00 25.33 C ATOM 1318 C SER A 85 11.276 -14.232 3.866 1.00 24.10 C ATOM 1319 O SER A 85 11.330 -14.021 5.078 1.00 55.14 O ATOM 1320 CB SER A 85 12.451 -16.430 3.652 1.00 22.51 C ATOM 1321 OG SER A 85 12.434 -17.717 3.057 1.00 14.44 O ATOM 0 H SER A 85 11.749 -15.930 1.326 1.00 23.24 H new ATOM 0 HA SER A 85 10.325 -16.146 3.798 1.00 25.33 H new ATOM 0 HB2 SER A 85 13.319 -15.874 3.298 1.00 22.51 H new ATOM 0 HB3 SER A 85 12.553 -16.527 4.733 1.00 22.51 H new ATOM 0 HG SER A 85 13.262 -18.192 3.281 1.00 14.44 H new ATOM 1327 N TRP A 86 11.303 -13.261 2.961 1.00 41.14 N ATOM 1328 CA TRP A 86 11.399 -11.858 3.348 1.00 53.14 C ATOM 1329 C TRP A 86 10.022 -11.287 3.669 1.00 1.21 C ATOM 1330 O TRP A 86 9.902 -10.314 4.414 1.00 42.45 O ATOM 1331 CB TRP A 86 12.054 -11.043 2.231 1.00 24.34 C ATOM 1332 CG TRP A 86 11.080 -10.551 1.204 1.00 1.25 C ATOM 1333 CD1 TRP A 86 10.269 -11.313 0.412 1.00 3.53 C ATOM 1334 CD2 TRP A 86 10.816 -9.187 0.858 1.00 3.11 C ATOM 1335 NE1 TRP A 86 9.517 -10.504 -0.406 1.00 23.22 N ATOM 1336 CE2 TRP A 86 9.834 -9.196 -0.151 1.00 54.01 C ATOM 1337 CE3 TRP A 86 11.313 -7.959 1.303 1.00 12.05 C ATOM 1338 CZ2 TRP A 86 9.341 -8.025 -0.721 1.00 2.23 C ATOM 1339 CZ3 TRP A 86 10.823 -6.798 0.737 1.00 43.51 C ATOM 1340 CH2 TRP A 86 9.845 -6.837 -0.266 1.00 2.23 C ATOM 0 H TRP A 86 11.260 -13.419 1.954 1.00 41.14 H new ATOM 0 HA TRP A 86 12.016 -11.795 4.244 1.00 53.14 H new ATOM 0 HB2 TRP A 86 12.571 -10.189 2.669 1.00 24.34 H new ATOM 0 HB3 TRP A 86 12.810 -11.655 1.740 1.00 24.34 H new ATOM 0 HD1 TRP A 86 10.225 -12.392 0.426 1.00 3.53 H new ATOM 0 HE1 TRP A 86 8.834 -10.825 -1.092 1.00 23.22 H new ATOM 0 HE3 TRP A 86 12.067 -7.918 2.076 1.00 12.05 H new ATOM 0 HZ2 TRP A 86 8.588 -8.053 -1.495 1.00 2.23 H new ATOM 0 HZ3 TRP A 86 11.200 -5.844 1.073 1.00 43.51 H new ATOM 0 HH2 TRP A 86 9.482 -5.911 -0.688 1.00 2.23 H new ATOM 1351 N ARG A 87 8.986 -11.898 3.104 1.00 10.10 N ATOM 1352 CA ARG A 87 7.618 -11.449 3.331 1.00 54.34 C ATOM 1353 C ARG A 87 6.908 -12.353 4.334 1.00 11.55 C ATOM 1354 O ARG A 87 5.994 -11.920 5.036 1.00 61.43 O ATOM 1355 CB ARG A 87 6.841 -11.424 2.013 1.00 64.35 C ATOM 1356 CG ARG A 87 6.995 -12.694 1.191 1.00 23.15 C ATOM 1357 CD ARG A 87 6.049 -12.706 0.001 1.00 10.02 C ATOM 1358 NE ARG A 87 6.190 -11.508 -0.822 1.00 15.32 N ATOM 1359 CZ ARG A 87 5.454 -10.414 -0.659 1.00 54.11 C ATOM 1360 NH1 ARG A 87 4.531 -10.367 0.292 1.00 75.34 N ATOM 1361 NH2 ARG A 87 5.641 -9.363 -1.448 1.00 34.51 N ATOM 0 H ARG A 87 9.068 -12.705 2.486 1.00 10.10 H new ATOM 0 HA ARG A 87 7.658 -10.440 3.741 1.00 54.34 H new ATOM 0 HB2 ARG A 87 5.784 -11.266 2.227 1.00 64.35 H new ATOM 0 HB3 ARG A 87 7.177 -10.574 1.419 1.00 64.35 H new ATOM 0 HG2 ARG A 87 8.024 -12.779 0.840 1.00 23.15 H new ATOM 0 HG3 ARG A 87 6.800 -13.562 1.821 1.00 23.15 H new ATOM 0 HD2 ARG A 87 6.243 -13.589 -0.608 1.00 10.02 H new ATOM 0 HD3 ARG A 87 5.021 -12.783 0.356 1.00 10.02 H new ATOM 0 HE ARG A 87 6.892 -11.511 -1.562 1.00 15.32 H new ATOM 0 HH11 ARG A 87 4.385 -11.172 0.901 1.00 75.34 H new ATOM 0 HH12 ARG A 87 3.968 -9.526 0.415 1.00 75.34 H new ATOM 0 HH21 ARG A 87 6.350 -9.395 -2.180 1.00 34.51 H new ATOM 0 HH22 ARG A 87 5.075 -8.524 -1.322 1.00 34.51 H new ATOM 1375 N ASN A 88 7.335 -13.610 4.397 1.00 42.54 N ATOM 1376 CA ASN A 88 6.740 -14.575 5.314 1.00 51.34 C ATOM 1377 C ASN A 88 7.063 -14.220 6.762 1.00 53.21 C ATOM 1378 O ASN A 88 6.693 -14.944 7.686 1.00 64.34 O ATOM 1379 CB ASN A 88 7.242 -15.985 4.999 1.00 74.45 C ATOM 1380 CG ASN A 88 6.385 -16.686 3.962 1.00 54.43 C ATOM 1381 OD1 ASN A 88 5.217 -16.989 4.208 1.00 62.43 O ATOM 1382 ND2 ASN A 88 6.962 -16.945 2.795 1.00 63.54 N ATOM 0 H ASN A 88 8.091 -13.984 3.824 1.00 42.54 H new ATOM 0 HA ASN A 88 5.658 -14.544 5.183 1.00 51.34 H new ATOM 0 HB2 ASN A 88 8.270 -15.930 4.640 1.00 74.45 H new ATOM 0 HB3 ASN A 88 7.255 -16.576 5.915 1.00 74.45 H new ATOM 0 HD21 ASN A 88 6.435 -17.413 2.058 1.00 63.54 H new ATOM 0 HD22 ASN A 88 7.933 -16.676 2.635 1.00 63.54 H new