USER MOD reduce.3.24.130724 H: found=0, std=0, add=468, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 466 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: A 17 TYR OH : rot -129:sc= -0.486 USER MOD Set 1.2: A 19 SER OG : rot 90:sc= 0.996 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 25:sc= 1.19 USER MOD Single : A 11 TYR OH : rot 103:sc= 0.227 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 37:sc= 0.363 USER MOD Single : A 28 THR OG1 : rot 180:sc= -4.08! USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.0368 USER MOD Single : A 37 GLN : amide:sc= -0.276 K(o=-0.28,f=-2.5!) USER MOD Single : A 38 LYS NZ :NH3+ 160:sc= 0.0546 (180deg=0.0117) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot -15:sc= 0.878 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot -110:sc= 0.228 USER MOD Single : A 57 ASN : amide:sc= -0.605 K(o=-0.6,f=-1.3) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ -112:sc= -2.13 (180deg=-4.33!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 27.316 -3.045 -12.468 1.00 0.00 N ATOM 2 CA GLY A 1 26.496 -3.877 -13.331 1.00 0.00 C ATOM 3 C GLY A 1 25.059 -3.956 -12.812 1.00 0.00 C ATOM 4 O GLY A 1 24.772 -4.707 -11.880 1.00 0.00 O ATOM 0 H1 GLY A 1 28.286 -3.007 -12.842 1.00 0.00 H new ATOM 0 H2 GLY A 1 26.920 -2.084 -12.435 1.00 0.00 H new ATOM 0 H3 GLY A 1 27.330 -3.447 -11.509 1.00 0.00 H new ATOM 0 HA2 GLY A 1 26.499 -3.472 -14.343 1.00 0.00 H new ATOM 0 HA3 GLY A 1 26.922 -4.879 -13.388 1.00 0.00 H new ATOM 8 N SER A 2 24.193 -3.172 -13.437 1.00 0.00 N ATOM 9 CA SER A 2 22.793 -3.144 -13.050 1.00 0.00 C ATOM 10 C SER A 2 22.672 -3.146 -11.525 1.00 0.00 C ATOM 11 O SER A 2 22.608 -4.207 -10.905 1.00 0.00 O ATOM 12 CB SER A 2 22.033 -4.331 -13.644 1.00 0.00 C ATOM 13 OG SER A 2 20.716 -3.972 -14.054 1.00 0.00 O ATOM 0 H SER A 2 24.434 -2.551 -14.209 1.00 0.00 H new ATOM 0 HA SER A 2 22.348 -2.230 -13.443 1.00 0.00 H new ATOM 0 HB2 SER A 2 22.584 -4.723 -14.499 1.00 0.00 H new ATOM 0 HB3 SER A 2 21.977 -5.131 -12.906 1.00 0.00 H new ATOM 0 HG SER A 2 20.265 -4.757 -14.429 1.00 0.00 H new ATOM 19 N SER A 3 22.643 -1.947 -10.963 1.00 0.00 N ATOM 20 CA SER A 3 22.531 -1.797 -9.522 1.00 0.00 C ATOM 21 C SER A 3 21.546 -0.675 -9.188 1.00 0.00 C ATOM 22 O SER A 3 21.642 0.423 -9.734 1.00 0.00 O ATOM 23 CB SER A 3 23.895 -1.512 -8.890 1.00 0.00 C ATOM 24 OG SER A 3 23.814 -1.409 -7.471 1.00 0.00 O ATOM 0 H SER A 3 22.695 -1.069 -11.480 1.00 0.00 H new ATOM 0 HA SER A 3 22.158 -2.734 -9.108 1.00 0.00 H new ATOM 0 HB2 SER A 3 24.592 -2.307 -9.157 1.00 0.00 H new ATOM 0 HB3 SER A 3 24.297 -0.585 -9.299 1.00 0.00 H new ATOM 0 HG SER A 3 24.705 -1.228 -7.105 1.00 0.00 H new ATOM 30 N GLY A 4 20.621 -0.990 -8.293 1.00 0.00 N ATOM 31 CA GLY A 4 19.620 -0.022 -7.880 1.00 0.00 C ATOM 32 C GLY A 4 18.217 -0.475 -8.291 1.00 0.00 C ATOM 33 O GLY A 4 17.616 -1.322 -7.633 1.00 0.00 O ATOM 0 H GLY A 4 20.544 -1.902 -7.843 1.00 0.00 H new ATOM 0 HA2 GLY A 4 19.661 0.110 -6.799 1.00 0.00 H new ATOM 0 HA3 GLY A 4 19.839 0.947 -8.328 1.00 0.00 H new ATOM 37 N SER A 5 17.736 0.111 -9.378 1.00 0.00 N ATOM 38 CA SER A 5 16.416 -0.221 -9.885 1.00 0.00 C ATOM 39 C SER A 5 15.397 -0.202 -8.744 1.00 0.00 C ATOM 40 O SER A 5 15.223 -1.199 -8.045 1.00 0.00 O ATOM 41 CB SER A 5 16.417 -1.589 -10.571 1.00 0.00 C ATOM 42 OG SER A 5 15.441 -1.668 -11.607 1.00 0.00 O ATOM 0 H SER A 5 18.237 0.814 -9.921 1.00 0.00 H new ATOM 0 HA SER A 5 16.137 0.528 -10.626 1.00 0.00 H new ATOM 0 HB2 SER A 5 17.405 -1.785 -10.988 1.00 0.00 H new ATOM 0 HB3 SER A 5 16.224 -2.366 -9.831 1.00 0.00 H new ATOM 0 HG SER A 5 15.475 -2.556 -12.021 1.00 0.00 H new ATOM 48 N SER A 6 14.750 0.944 -8.590 1.00 0.00 N ATOM 49 CA SER A 6 13.753 1.107 -7.546 1.00 0.00 C ATOM 50 C SER A 6 12.431 1.580 -8.154 1.00 0.00 C ATOM 51 O SER A 6 12.276 2.757 -8.473 1.00 0.00 O ATOM 52 CB SER A 6 14.229 2.094 -6.478 1.00 0.00 C ATOM 53 OG SER A 6 14.321 3.423 -6.983 1.00 0.00 O ATOM 0 H SER A 6 14.897 1.769 -9.171 1.00 0.00 H new ATOM 0 HA SER A 6 13.600 0.140 -7.066 1.00 0.00 H new ATOM 0 HB2 SER A 6 13.541 2.074 -5.633 1.00 0.00 H new ATOM 0 HB3 SER A 6 15.203 1.780 -6.103 1.00 0.00 H new ATOM 0 HG SER A 6 13.711 3.527 -7.743 1.00 0.00 H new ATOM 59 N GLY A 7 11.510 0.637 -8.295 1.00 0.00 N ATOM 60 CA GLY A 7 10.206 0.942 -8.859 1.00 0.00 C ATOM 61 C GLY A 7 9.153 1.085 -7.759 1.00 0.00 C ATOM 62 O GLY A 7 9.271 1.947 -6.889 1.00 0.00 O ATOM 0 H GLY A 7 11.641 -0.339 -8.028 1.00 0.00 H new ATOM 0 HA2 GLY A 7 10.262 1.865 -9.436 1.00 0.00 H new ATOM 0 HA3 GLY A 7 9.911 0.152 -9.550 1.00 0.00 H new ATOM 66 N GLY A 8 8.147 0.226 -7.832 1.00 0.00 N ATOM 67 CA GLY A 8 7.074 0.245 -6.853 1.00 0.00 C ATOM 68 C GLY A 8 7.455 -0.555 -5.606 1.00 0.00 C ATOM 69 O GLY A 8 8.344 -1.403 -5.656 1.00 0.00 O ATOM 0 H GLY A 8 8.053 -0.488 -8.554 1.00 0.00 H new ATOM 0 HA2 GLY A 8 6.849 1.275 -6.574 1.00 0.00 H new ATOM 0 HA3 GLY A 8 6.168 -0.171 -7.293 1.00 0.00 H new ATOM 73 N GLU A 9 6.763 -0.256 -4.516 1.00 0.00 N ATOM 74 CA GLU A 9 7.018 -0.936 -3.257 1.00 0.00 C ATOM 75 C GLU A 9 5.748 -1.632 -2.763 1.00 0.00 C ATOM 76 O GLU A 9 4.723 -0.985 -2.555 1.00 0.00 O ATOM 77 CB GLU A 9 7.555 0.038 -2.206 1.00 0.00 C ATOM 78 CG GLU A 9 8.954 0.532 -2.580 1.00 0.00 C ATOM 79 CD GLU A 9 9.953 0.250 -1.456 1.00 0.00 C ATOM 80 OE1 GLU A 9 10.395 -0.916 -1.369 1.00 0.00 O ATOM 81 OE2 GLU A 9 10.252 1.206 -0.709 1.00 0.00 O ATOM 0 H GLU A 9 6.026 0.448 -4.479 1.00 0.00 H new ATOM 0 HA GLU A 9 7.783 -1.695 -3.425 1.00 0.00 H new ATOM 0 HB2 GLU A 9 6.878 0.887 -2.113 1.00 0.00 H new ATOM 0 HB3 GLU A 9 7.587 -0.452 -1.233 1.00 0.00 H new ATOM 0 HG2 GLU A 9 9.284 0.042 -3.496 1.00 0.00 H new ATOM 0 HG3 GLU A 9 8.923 1.602 -2.784 1.00 0.00 H new ATOM 88 N GLU A 10 5.858 -2.941 -2.590 1.00 0.00 N ATOM 89 CA GLU A 10 4.731 -3.731 -2.125 1.00 0.00 C ATOM 90 C GLU A 10 4.566 -3.579 -0.611 1.00 0.00 C ATOM 91 O GLU A 10 5.547 -3.616 0.131 1.00 0.00 O ATOM 92 CB GLU A 10 4.895 -5.202 -2.514 1.00 0.00 C ATOM 93 CG GLU A 10 4.783 -5.384 -4.029 1.00 0.00 C ATOM 94 CD GLU A 10 6.168 -5.461 -4.675 1.00 0.00 C ATOM 95 OE1 GLU A 10 7.062 -4.736 -4.190 1.00 0.00 O ATOM 96 OE2 GLU A 10 6.300 -6.245 -5.640 1.00 0.00 O ATOM 0 H GLU A 10 6.710 -3.474 -2.763 1.00 0.00 H new ATOM 0 HA GLU A 10 3.827 -3.360 -2.609 1.00 0.00 H new ATOM 0 HB2 GLU A 10 5.863 -5.567 -2.171 1.00 0.00 H new ATOM 0 HB3 GLU A 10 4.133 -5.801 -2.015 1.00 0.00 H new ATOM 0 HG2 GLU A 10 4.224 -6.293 -4.249 1.00 0.00 H new ATOM 0 HG3 GLU A 10 4.223 -4.553 -4.458 1.00 0.00 H new ATOM 103 N TYR A 11 3.318 -3.412 -0.198 1.00 0.00 N ATOM 104 CA TYR A 11 3.012 -3.255 1.214 1.00 0.00 C ATOM 105 C TYR A 11 1.720 -3.987 1.579 1.00 0.00 C ATOM 106 O TYR A 11 0.815 -4.108 0.754 1.00 0.00 O ATOM 107 CB TYR A 11 2.815 -1.754 1.438 1.00 0.00 C ATOM 108 CG TYR A 11 4.085 -1.017 1.865 1.00 0.00 C ATOM 109 CD1 TYR A 11 4.967 -0.552 0.911 1.00 0.00 C ATOM 110 CD2 TYR A 11 4.349 -0.815 3.204 1.00 0.00 C ATOM 111 CE1 TYR A 11 6.163 0.142 1.313 1.00 0.00 C ATOM 112 CE2 TYR A 11 5.544 -0.121 3.607 1.00 0.00 C ATOM 113 CZ TYR A 11 6.392 0.324 2.641 1.00 0.00 C ATOM 114 OH TYR A 11 7.522 0.980 3.021 1.00 0.00 O ATOM 0 H TYR A 11 2.507 -3.382 -0.816 1.00 0.00 H new ATOM 0 HA TYR A 11 3.812 -3.668 1.829 1.00 0.00 H new ATOM 0 HB2 TYR A 11 2.439 -1.306 0.518 1.00 0.00 H new ATOM 0 HB3 TYR A 11 2.049 -1.608 2.200 1.00 0.00 H new ATOM 0 HD1 TYR A 11 4.760 -0.709 -0.137 1.00 0.00 H new ATOM 0 HD2 TYR A 11 3.658 -1.178 3.951 1.00 0.00 H new ATOM 0 HE1 TYR A 11 6.862 0.510 0.577 1.00 0.00 H new ATOM 0 HE2 TYR A 11 5.762 0.043 4.652 1.00 0.00 H new ATOM 0 HH TYR A 11 7.296 1.897 3.282 1.00 0.00 H new ATOM 124 N ILE A 12 1.674 -4.458 2.817 1.00 0.00 N ATOM 125 CA ILE A 12 0.507 -5.175 3.302 1.00 0.00 C ATOM 126 C ILE A 12 -0.299 -4.263 4.229 1.00 0.00 C ATOM 127 O ILE A 12 0.238 -3.727 5.198 1.00 0.00 O ATOM 128 CB ILE A 12 0.922 -6.498 3.950 1.00 0.00 C ATOM 129 CG1 ILE A 12 1.775 -7.333 2.993 1.00 0.00 C ATOM 130 CG2 ILE A 12 -0.300 -7.271 4.451 1.00 0.00 C ATOM 131 CD1 ILE A 12 0.899 -8.239 2.126 1.00 0.00 C ATOM 0 H ILE A 12 2.426 -4.357 3.498 1.00 0.00 H new ATOM 0 HA ILE A 12 -0.146 -5.444 2.472 1.00 0.00 H new ATOM 0 HB ILE A 12 1.539 -6.273 4.820 1.00 0.00 H new ATOM 0 HG12 ILE A 12 2.364 -6.674 2.356 1.00 0.00 H new ATOM 0 HG13 ILE A 12 2.479 -7.939 3.563 1.00 0.00 H new ATOM 0 HG21 ILE A 12 0.023 -8.207 4.907 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -0.832 -6.672 5.190 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -0.963 -7.486 3.613 1.00 0.00 H new ATOM 0 HD11 ILE A 12 1.530 -8.821 1.455 1.00 0.00 H new ATOM 0 HD12 ILE A 12 0.329 -8.914 2.765 1.00 0.00 H new ATOM 0 HD13 ILE A 12 0.213 -7.628 1.540 1.00 0.00 H new ATOM 143 N ALA A 13 -1.573 -4.115 3.900 1.00 0.00 N ATOM 144 CA ALA A 13 -2.458 -3.277 4.691 1.00 0.00 C ATOM 145 C ALA A 13 -2.644 -3.903 6.075 1.00 0.00 C ATOM 146 O ALA A 13 -3.108 -5.036 6.190 1.00 0.00 O ATOM 147 CB ALA A 13 -3.785 -3.093 3.951 1.00 0.00 C ATOM 0 H ALA A 13 -2.014 -4.561 3.096 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.024 -2.287 4.832 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -4.449 -2.464 4.545 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.601 -2.618 2.987 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -4.251 -4.065 3.793 1.00 0.00 H new ATOM 153 N LEU A 14 -2.273 -3.137 7.090 1.00 0.00 N ATOM 154 CA LEU A 14 -2.394 -3.602 8.462 1.00 0.00 C ATOM 155 C LEU A 14 -3.865 -3.570 8.879 1.00 0.00 C ATOM 156 O LEU A 14 -4.397 -4.566 9.367 1.00 0.00 O ATOM 157 CB LEU A 14 -1.475 -2.797 9.383 1.00 0.00 C ATOM 158 CG LEU A 14 0.013 -3.147 9.320 1.00 0.00 C ATOM 159 CD1 LEU A 14 0.862 -2.050 9.964 1.00 0.00 C ATOM 160 CD2 LEU A 14 0.280 -4.519 9.944 1.00 0.00 C ATOM 0 H LEU A 14 -1.888 -2.198 6.990 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.062 -4.637 8.545 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.589 -1.740 9.144 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.816 -2.930 10.410 1.00 0.00 H new ATOM 0 HG LEU A 14 0.306 -3.207 8.272 1.00 0.00 H new ATOM 0 HD11 LEU A 14 1.915 -2.324 9.906 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.702 -1.109 9.437 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.575 -1.934 11.009 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.345 -4.744 9.886 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.033 -4.511 10.988 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.281 -5.280 9.403 1.00 0.00 H new ATOM 172 N TYR A 15 -4.481 -2.416 8.672 1.00 0.00 N ATOM 173 CA TYR A 15 -5.881 -2.241 9.021 1.00 0.00 C ATOM 174 C TYR A 15 -6.690 -1.758 7.816 1.00 0.00 C ATOM 175 O TYR A 15 -6.137 -1.172 6.887 1.00 0.00 O ATOM 176 CB TYR A 15 -5.914 -1.164 10.107 1.00 0.00 C ATOM 177 CG TYR A 15 -4.873 -1.362 11.211 1.00 0.00 C ATOM 178 CD1 TYR A 15 -5.168 -2.153 12.303 1.00 0.00 C ATOM 179 CD2 TYR A 15 -3.640 -0.749 11.116 1.00 0.00 C ATOM 180 CE1 TYR A 15 -4.189 -2.339 13.343 1.00 0.00 C ATOM 181 CE2 TYR A 15 -2.661 -0.936 12.155 1.00 0.00 C ATOM 182 CZ TYR A 15 -2.984 -1.721 13.217 1.00 0.00 C ATOM 183 OH TYR A 15 -2.059 -1.897 14.199 1.00 0.00 O ATOM 0 H TYR A 15 -4.036 -1.592 8.267 1.00 0.00 H new ATOM 0 HA TYR A 15 -6.314 -3.184 9.354 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -5.756 -0.190 9.644 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -6.907 -1.146 10.557 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -6.133 -2.632 12.378 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -3.410 -0.129 10.262 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -4.407 -2.955 14.203 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -1.692 -0.463 12.092 1.00 0.00 H new ATOM 0 HH TYR A 15 -1.246 -1.398 13.976 1.00 0.00 H new ATOM 193 N PRO A 16 -8.022 -2.030 7.871 1.00 0.00 N ATOM 194 CA PRO A 16 -8.913 -1.629 6.796 1.00 0.00 C ATOM 195 C PRO A 16 -9.183 -0.124 6.839 1.00 0.00 C ATOM 196 O PRO A 16 -9.899 0.357 7.715 1.00 0.00 O ATOM 197 CB PRO A 16 -10.168 -2.464 6.993 1.00 0.00 C ATOM 198 CG PRO A 16 -10.119 -2.956 8.431 1.00 0.00 C ATOM 199 CD PRO A 16 -8.711 -2.722 8.956 1.00 0.00 C ATOM 0 HA PRO A 16 -8.485 -1.803 5.809 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -11.064 -1.870 6.814 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -10.194 -3.300 6.295 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -10.848 -2.423 9.042 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -10.374 -4.015 8.481 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -8.722 -2.121 9.865 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -8.218 -3.663 9.202 1.00 0.00 H new ATOM 207 N TYR A 17 -8.594 0.578 5.881 1.00 0.00 N ATOM 208 CA TYR A 17 -8.762 2.019 5.799 1.00 0.00 C ATOM 209 C TYR A 17 -9.768 2.392 4.707 1.00 0.00 C ATOM 210 O TYR A 17 -9.581 2.046 3.542 1.00 0.00 O ATOM 211 CB TYR A 17 -7.390 2.583 5.426 1.00 0.00 C ATOM 212 CG TYR A 17 -7.381 4.095 5.192 1.00 0.00 C ATOM 213 CD1 TYR A 17 -7.638 4.600 3.934 1.00 0.00 C ATOM 214 CD2 TYR A 17 -7.116 4.953 6.240 1.00 0.00 C ATOM 215 CE1 TYR A 17 -7.630 6.023 3.714 1.00 0.00 C ATOM 216 CE2 TYR A 17 -7.108 6.377 6.020 1.00 0.00 C ATOM 217 CZ TYR A 17 -7.365 6.841 4.768 1.00 0.00 C ATOM 218 OH TYR A 17 -7.357 8.185 4.560 1.00 0.00 O ATOM 0 H TYR A 17 -8.000 0.176 5.156 1.00 0.00 H new ATOM 0 HA TYR A 17 -9.135 2.417 6.743 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -6.682 2.344 6.220 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -7.037 2.084 4.524 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -7.845 3.928 3.114 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -6.915 4.557 7.225 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -7.830 6.432 2.734 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -6.903 7.060 6.831 1.00 0.00 H new ATOM 0 HH TYR A 17 -6.526 8.566 4.914 1.00 0.00 H new ATOM 228 N SER A 18 -10.812 3.093 5.124 1.00 0.00 N ATOM 229 CA SER A 18 -11.847 3.517 4.197 1.00 0.00 C ATOM 230 C SER A 18 -11.896 5.045 4.130 1.00 0.00 C ATOM 231 O SER A 18 -11.731 5.720 5.145 1.00 0.00 O ATOM 232 CB SER A 18 -13.213 2.959 4.603 1.00 0.00 C ATOM 233 OG SER A 18 -13.626 3.438 5.879 1.00 0.00 O ATOM 0 H SER A 18 -10.963 3.378 6.092 1.00 0.00 H new ATOM 0 HA SER A 18 -11.603 3.124 3.210 1.00 0.00 H new ATOM 0 HB2 SER A 18 -13.955 3.236 3.854 1.00 0.00 H new ATOM 0 HB3 SER A 18 -13.169 1.870 4.621 1.00 0.00 H new ATOM 0 HG SER A 18 -14.503 3.061 6.102 1.00 0.00 H new ATOM 239 N SER A 19 -12.123 5.546 2.925 1.00 0.00 N ATOM 240 CA SER A 19 -12.196 6.981 2.712 1.00 0.00 C ATOM 241 C SER A 19 -13.399 7.319 1.830 1.00 0.00 C ATOM 242 O SER A 19 -13.576 6.732 0.763 1.00 0.00 O ATOM 243 CB SER A 19 -10.908 7.510 2.079 1.00 0.00 C ATOM 244 OG SER A 19 -9.968 7.940 3.060 1.00 0.00 O ATOM 0 H SER A 19 -12.259 4.983 2.085 1.00 0.00 H new ATOM 0 HA SER A 19 -12.318 7.465 3.681 1.00 0.00 H new ATOM 0 HB2 SER A 19 -10.459 6.730 1.464 1.00 0.00 H new ATOM 0 HB3 SER A 19 -11.145 8.341 1.415 1.00 0.00 H new ATOM 0 HG SER A 19 -9.389 7.190 3.309 1.00 0.00 H new ATOM 250 N VAL A 20 -14.196 8.265 2.306 1.00 0.00 N ATOM 251 CA VAL A 20 -15.377 8.688 1.574 1.00 0.00 C ATOM 252 C VAL A 20 -14.947 9.414 0.297 1.00 0.00 C ATOM 253 O VAL A 20 -15.630 9.339 -0.723 1.00 0.00 O ATOM 254 CB VAL A 20 -16.273 9.542 2.474 1.00 0.00 C ATOM 255 CG1 VAL A 20 -16.642 8.788 3.753 1.00 0.00 C ATOM 256 CG2 VAL A 20 -15.607 10.880 2.799 1.00 0.00 C ATOM 0 H VAL A 20 -14.046 8.750 3.190 1.00 0.00 H new ATOM 0 HA VAL A 20 -15.970 7.824 1.274 1.00 0.00 H new ATOM 0 HB VAL A 20 -17.194 9.750 1.930 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -17.279 9.417 4.375 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -17.176 7.873 3.495 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -15.734 8.536 4.301 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -16.265 11.468 3.440 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -14.663 10.701 3.314 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -15.418 11.426 1.875 1.00 0.00 H new ATOM 266 N GLU A 21 -13.818 10.099 0.396 1.00 0.00 N ATOM 267 CA GLU A 21 -13.289 10.837 -0.739 1.00 0.00 C ATOM 268 C GLU A 21 -12.527 9.897 -1.675 1.00 0.00 C ATOM 269 O GLU A 21 -11.822 8.998 -1.219 1.00 0.00 O ATOM 270 CB GLU A 21 -12.397 11.991 -0.275 1.00 0.00 C ATOM 271 CG GLU A 21 -13.198 13.010 0.538 1.00 0.00 C ATOM 272 CD GLU A 21 -14.357 13.577 -0.283 1.00 0.00 C ATOM 273 OE1 GLU A 21 -14.173 13.703 -1.513 1.00 0.00 O ATOM 274 OE2 GLU A 21 -15.402 13.871 0.337 1.00 0.00 O ATOM 0 H GLU A 21 -13.255 10.159 1.244 1.00 0.00 H new ATOM 0 HA GLU A 21 -14.126 11.267 -1.290 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -11.577 11.602 0.329 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -11.950 12.481 -1.140 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -13.584 12.537 1.441 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -12.543 13.821 0.858 1.00 0.00 H new ATOM 281 N PRO A 22 -12.698 10.144 -3.001 1.00 0.00 N ATOM 282 CA PRO A 22 -12.035 9.331 -4.006 1.00 0.00 C ATOM 283 C PRO A 22 -10.547 9.678 -4.098 1.00 0.00 C ATOM 284 O PRO A 22 -9.818 9.094 -4.898 1.00 0.00 O ATOM 285 CB PRO A 22 -12.790 9.606 -5.296 1.00 0.00 C ATOM 286 CG PRO A 22 -13.545 10.905 -5.069 1.00 0.00 C ATOM 287 CD PRO A 22 -13.525 11.201 -3.578 1.00 0.00 C ATOM 0 HA PRO A 22 -12.056 8.268 -3.767 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -12.104 9.695 -6.138 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -13.476 8.791 -5.528 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -13.081 11.719 -5.626 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -14.571 10.818 -5.427 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -13.106 12.187 -3.376 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -14.531 11.190 -3.159 1.00 0.00 H new ATOM 295 N GLY A 23 -10.142 10.627 -3.268 1.00 0.00 N ATOM 296 CA GLY A 23 -8.755 11.059 -3.246 1.00 0.00 C ATOM 297 C GLY A 23 -7.872 10.034 -2.530 1.00 0.00 C ATOM 298 O GLY A 23 -6.856 9.600 -3.069 1.00 0.00 O ATOM 0 H GLY A 23 -10.750 11.109 -2.606 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -8.399 11.202 -4.266 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -8.679 12.024 -2.744 1.00 0.00 H new ATOM 302 N ASP A 24 -8.293 9.678 -1.325 1.00 0.00 N ATOM 303 CA ASP A 24 -7.555 8.712 -0.530 1.00 0.00 C ATOM 304 C ASP A 24 -7.866 7.300 -1.030 1.00 0.00 C ATOM 305 O ASP A 24 -9.028 6.954 -1.238 1.00 0.00 O ATOM 306 CB ASP A 24 -7.956 8.791 0.945 1.00 0.00 C ATOM 307 CG ASP A 24 -6.789 8.899 1.928 1.00 0.00 C ATOM 308 OD1 ASP A 24 -6.210 7.836 2.241 1.00 0.00 O ATOM 309 OD2 ASP A 24 -6.502 10.042 2.345 1.00 0.00 O ATOM 0 H ASP A 24 -9.136 10.041 -0.880 1.00 0.00 H new ATOM 0 HA ASP A 24 -6.493 8.937 -0.628 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -8.608 9.653 1.083 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -8.541 7.906 1.195 1.00 0.00 H new ATOM 314 N LEU A 25 -6.808 6.524 -1.209 1.00 0.00 N ATOM 315 CA LEU A 25 -6.954 5.157 -1.682 1.00 0.00 C ATOM 316 C LEU A 25 -7.699 4.335 -0.628 1.00 0.00 C ATOM 317 O LEU A 25 -7.309 4.314 0.538 1.00 0.00 O ATOM 318 CB LEU A 25 -5.593 4.575 -2.067 1.00 0.00 C ATOM 319 CG LEU A 25 -5.623 3.295 -2.905 1.00 0.00 C ATOM 320 CD1 LEU A 25 -6.178 3.569 -4.304 1.00 0.00 C ATOM 321 CD2 LEU A 25 -4.242 2.639 -2.954 1.00 0.00 C ATOM 0 H LEU A 25 -5.846 6.815 -1.035 1.00 0.00 H new ATOM 0 HA LEU A 25 -7.554 5.130 -2.591 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.039 5.334 -2.619 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.034 4.374 -1.153 1.00 0.00 H new ATOM 0 HG LEU A 25 -6.298 2.587 -2.424 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -6.189 2.643 -4.879 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -7.193 3.958 -4.223 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -5.548 4.302 -4.808 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.291 1.732 -3.556 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.526 3.331 -3.398 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.923 2.387 -1.943 1.00 0.00 H new ATOM 333 N THR A 26 -8.758 3.678 -1.077 1.00 0.00 N ATOM 334 CA THR A 26 -9.562 2.856 -0.188 1.00 0.00 C ATOM 335 C THR A 26 -9.145 1.388 -0.297 1.00 0.00 C ATOM 336 O THR A 26 -9.159 0.814 -1.384 1.00 0.00 O ATOM 337 CB THR A 26 -11.035 3.096 -0.524 1.00 0.00 C ATOM 338 OG1 THR A 26 -11.112 2.869 -1.928 1.00 0.00 O ATOM 339 CG2 THR A 26 -11.441 4.562 -0.361 1.00 0.00 C ATOM 0 H THR A 26 -9.078 3.698 -2.045 1.00 0.00 H new ATOM 0 HA THR A 26 -9.404 3.130 0.855 1.00 0.00 H new ATOM 0 HB THR A 26 -11.660 2.473 0.116 1.00 0.00 H new ATOM 0 HG1 THR A 26 -10.517 2.130 -2.173 1.00 0.00 H new ATOM 0 HG21 THR A 26 -12.495 4.678 -0.612 1.00 0.00 H new ATOM 0 HG22 THR A 26 -11.277 4.872 0.671 1.00 0.00 H new ATOM 0 HG23 THR A 26 -10.840 5.182 -1.026 1.00 0.00 H new ATOM 347 N PHE A 27 -8.784 0.822 0.846 1.00 0.00 N ATOM 348 CA PHE A 27 -8.364 -0.568 0.893 1.00 0.00 C ATOM 349 C PHE A 27 -8.773 -1.220 2.215 1.00 0.00 C ATOM 350 O PHE A 27 -9.286 -0.549 3.109 1.00 0.00 O ATOM 351 CB PHE A 27 -6.838 -0.578 0.783 1.00 0.00 C ATOM 352 CG PHE A 27 -6.135 0.317 1.805 1.00 0.00 C ATOM 353 CD1 PHE A 27 -5.936 1.634 1.533 1.00 0.00 C ATOM 354 CD2 PHE A 27 -5.708 -0.205 2.986 1.00 0.00 C ATOM 355 CE1 PHE A 27 -5.283 2.465 2.482 1.00 0.00 C ATOM 356 CE2 PHE A 27 -5.055 0.625 3.935 1.00 0.00 C ATOM 357 CZ PHE A 27 -4.856 1.943 3.663 1.00 0.00 C ATOM 0 H PHE A 27 -8.774 1.301 1.746 1.00 0.00 H new ATOM 0 HA PHE A 27 -8.834 -1.126 0.083 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -6.482 -1.601 0.905 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -6.554 -0.259 -0.220 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -6.275 2.049 0.595 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -5.866 -1.251 3.202 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -5.126 3.511 2.266 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -4.716 0.210 4.873 1.00 0.00 H new ATOM 0 HZ PHE A 27 -4.359 2.575 4.385 1.00 0.00 H new ATOM 367 N THR A 28 -8.530 -2.520 2.297 1.00 0.00 N ATOM 368 CA THR A 28 -8.866 -3.270 3.495 1.00 0.00 C ATOM 369 C THR A 28 -7.612 -3.911 4.093 1.00 0.00 C ATOM 370 O THR A 28 -6.531 -3.826 3.513 1.00 0.00 O ATOM 371 CB THR A 28 -9.951 -4.285 3.129 1.00 0.00 C ATOM 372 OG1 THR A 28 -9.548 -4.780 1.855 1.00 0.00 O ATOM 373 CG2 THR A 28 -11.305 -3.624 2.860 1.00 0.00 C ATOM 0 H THR A 28 -8.104 -3.073 1.553 1.00 0.00 H new ATOM 0 HA THR A 28 -9.261 -2.616 4.273 1.00 0.00 H new ATOM 0 HB THR A 28 -10.055 -5.011 3.935 1.00 0.00 H new ATOM 0 HG1 THR A 28 -10.196 -5.446 1.543 1.00 0.00 H new ATOM 0 HG21 THR A 28 -12.039 -4.389 2.605 1.00 0.00 H new ATOM 0 HG22 THR A 28 -11.633 -3.090 3.752 1.00 0.00 H new ATOM 0 HG23 THR A 28 -11.209 -2.922 2.031 1.00 0.00 H new ATOM 381 N GLU A 29 -7.798 -4.537 5.245 1.00 0.00 N ATOM 382 CA GLU A 29 -6.696 -5.192 5.928 1.00 0.00 C ATOM 383 C GLU A 29 -6.334 -6.499 5.220 1.00 0.00 C ATOM 384 O GLU A 29 -7.189 -7.362 5.027 1.00 0.00 O ATOM 385 CB GLU A 29 -7.032 -5.441 7.400 1.00 0.00 C ATOM 386 CG GLU A 29 -6.141 -6.537 7.988 1.00 0.00 C ATOM 387 CD GLU A 29 -6.904 -7.857 8.111 1.00 0.00 C ATOM 388 OE1 GLU A 29 -8.016 -7.925 7.544 1.00 0.00 O ATOM 389 OE2 GLU A 29 -6.358 -8.769 8.769 1.00 0.00 O ATOM 0 H GLU A 29 -8.696 -4.605 5.723 1.00 0.00 H new ATOM 0 HA GLU A 29 -5.830 -4.531 5.894 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -6.903 -4.519 7.967 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -8.079 -5.729 7.494 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -5.265 -6.677 7.355 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -5.779 -6.229 8.969 1.00 0.00 H new ATOM 396 N GLY A 30 -5.065 -6.604 4.852 1.00 0.00 N ATOM 397 CA GLY A 30 -4.580 -7.791 4.169 1.00 0.00 C ATOM 398 C GLY A 30 -4.310 -7.502 2.691 1.00 0.00 C ATOM 399 O GLY A 30 -3.463 -8.146 2.074 1.00 0.00 O ATOM 0 H GLY A 30 -4.358 -5.886 5.014 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -3.666 -8.142 4.647 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -5.314 -8.592 4.258 1.00 0.00 H new ATOM 403 N GLU A 31 -5.045 -6.533 2.167 1.00 0.00 N ATOM 404 CA GLU A 31 -4.896 -6.151 0.773 1.00 0.00 C ATOM 405 C GLU A 31 -3.441 -5.781 0.477 1.00 0.00 C ATOM 406 O GLU A 31 -2.665 -5.518 1.394 1.00 0.00 O ATOM 407 CB GLU A 31 -5.837 -4.998 0.416 1.00 0.00 C ATOM 408 CG GLU A 31 -7.280 -5.491 0.282 1.00 0.00 C ATOM 409 CD GLU A 31 -7.621 -6.495 1.385 1.00 0.00 C ATOM 410 OE1 GLU A 31 -7.522 -6.096 2.566 1.00 0.00 O ATOM 411 OE2 GLU A 31 -7.973 -7.638 1.023 1.00 0.00 O ATOM 0 H GLU A 31 -5.746 -6.001 2.683 1.00 0.00 H new ATOM 0 HA GLU A 31 -5.168 -7.005 0.152 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -5.782 -4.227 1.185 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -5.517 -4.539 -0.519 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -7.964 -4.644 0.333 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -7.420 -5.956 -0.694 1.00 0.00 H new ATOM 418 N GLU A 32 -3.115 -5.774 -0.807 1.00 0.00 N ATOM 419 CA GLU A 32 -1.767 -5.441 -1.235 1.00 0.00 C ATOM 420 C GLU A 32 -1.769 -4.133 -2.030 1.00 0.00 C ATOM 421 O GLU A 32 -2.302 -4.077 -3.137 1.00 0.00 O ATOM 422 CB GLU A 32 -1.155 -6.579 -2.055 1.00 0.00 C ATOM 423 CG GLU A 32 0.006 -7.234 -1.303 1.00 0.00 C ATOM 424 CD GLU A 32 0.721 -8.259 -2.185 1.00 0.00 C ATOM 425 OE1 GLU A 32 1.342 -7.820 -3.176 1.00 0.00 O ATOM 426 OE2 GLU A 32 0.630 -9.459 -1.847 1.00 0.00 O ATOM 0 H GLU A 32 -3.761 -5.994 -1.565 1.00 0.00 H new ATOM 0 HA GLU A 32 -1.150 -5.303 -0.347 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -1.918 -7.326 -2.274 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -0.802 -6.194 -3.012 1.00 0.00 H new ATOM 0 HG2 GLU A 32 0.713 -6.469 -0.981 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -0.368 -7.721 -0.403 1.00 0.00 H new ATOM 433 N ILE A 33 -1.168 -3.114 -1.433 1.00 0.00 N ATOM 434 CA ILE A 33 -1.095 -1.811 -2.071 1.00 0.00 C ATOM 435 C ILE A 33 0.302 -1.616 -2.663 1.00 0.00 C ATOM 436 O ILE A 33 1.304 -1.848 -1.988 1.00 0.00 O ATOM 437 CB ILE A 33 -1.507 -0.711 -1.091 1.00 0.00 C ATOM 438 CG1 ILE A 33 -2.954 -0.899 -0.630 1.00 0.00 C ATOM 439 CG2 ILE A 33 -1.273 0.676 -1.693 1.00 0.00 C ATOM 440 CD1 ILE A 33 -3.042 -0.941 0.896 1.00 0.00 C ATOM 0 H ILE A 33 -0.727 -3.165 -0.515 1.00 0.00 H new ATOM 0 HA ILE A 33 -1.803 -1.751 -2.897 1.00 0.00 H new ATOM 0 HB ILE A 33 -0.875 -0.789 -0.206 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -3.570 -0.084 -1.011 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -3.355 -1.823 -1.047 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.574 1.439 -0.976 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -0.216 0.797 -1.929 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -1.862 0.781 -2.604 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -4.081 -1.075 1.197 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -2.445 -1.772 1.272 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -2.663 -0.006 1.308 1.00 0.00 H new ATOM 452 N LEU A 34 0.324 -1.191 -3.918 1.00 0.00 N ATOM 453 CA LEU A 34 1.582 -0.961 -4.608 1.00 0.00 C ATOM 454 C LEU A 34 1.968 0.513 -4.479 1.00 0.00 C ATOM 455 O LEU A 34 1.397 1.370 -5.152 1.00 0.00 O ATOM 456 CB LEU A 34 1.495 -1.450 -6.055 1.00 0.00 C ATOM 457 CG LEU A 34 2.800 -1.415 -6.854 1.00 0.00 C ATOM 458 CD1 LEU A 34 3.938 -2.075 -6.074 1.00 0.00 C ATOM 459 CD2 LEU A 34 2.613 -2.044 -8.237 1.00 0.00 C ATOM 0 H LEU A 34 -0.509 -1.000 -4.475 1.00 0.00 H new ATOM 0 HA LEU A 34 2.381 -1.541 -4.147 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.123 -2.474 -6.050 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.755 -0.845 -6.579 1.00 0.00 H new ATOM 0 HG LEU A 34 3.078 -0.372 -7.009 1.00 0.00 H new ATOM 0 HD11 LEU A 34 4.854 -2.037 -6.664 1.00 0.00 H new ATOM 0 HD12 LEU A 34 4.090 -1.545 -5.134 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.683 -3.114 -5.868 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.555 -2.006 -8.784 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.299 -3.082 -8.125 1.00 0.00 H new ATOM 0 HD23 LEU A 34 1.851 -1.492 -8.788 1.00 0.00 H new ATOM 471 N VAL A 35 2.937 0.764 -3.610 1.00 0.00 N ATOM 472 CA VAL A 35 3.406 2.121 -3.384 1.00 0.00 C ATOM 473 C VAL A 35 4.369 2.516 -4.506 1.00 0.00 C ATOM 474 O VAL A 35 5.230 1.729 -4.896 1.00 0.00 O ATOM 475 CB VAL A 35 4.032 2.233 -1.992 1.00 0.00 C ATOM 476 CG1 VAL A 35 4.494 3.665 -1.713 1.00 0.00 C ATOM 477 CG2 VAL A 35 3.060 1.750 -0.914 1.00 0.00 C ATOM 0 H VAL A 35 3.410 0.051 -3.054 1.00 0.00 H new ATOM 0 HA VAL A 35 2.572 2.823 -3.408 1.00 0.00 H new ATOM 0 HB VAL A 35 4.909 1.587 -1.965 1.00 0.00 H new ATOM 0 HG11 VAL A 35 4.935 3.718 -0.718 1.00 0.00 H new ATOM 0 HG12 VAL A 35 5.237 3.959 -2.455 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.640 4.340 -1.767 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.529 1.840 0.066 1.00 0.00 H new ATOM 0 HG22 VAL A 35 2.156 2.358 -0.941 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.801 0.707 -1.098 1.00 0.00 H new ATOM 487 N THR A 36 4.191 3.735 -4.993 1.00 0.00 N ATOM 488 CA THR A 36 5.033 4.245 -6.062 1.00 0.00 C ATOM 489 C THR A 36 5.663 5.578 -5.655 1.00 0.00 C ATOM 490 O THR A 36 6.844 5.813 -5.906 1.00 0.00 O ATOM 491 CB THR A 36 4.183 4.336 -7.331 1.00 0.00 C ATOM 492 OG1 THR A 36 3.093 5.175 -6.959 1.00 0.00 O ATOM 493 CG2 THR A 36 3.521 3.004 -7.690 1.00 0.00 C ATOM 0 H THR A 36 3.476 4.385 -4.667 1.00 0.00 H new ATOM 0 HA THR A 36 5.869 3.574 -6.261 1.00 0.00 H new ATOM 0 HB THR A 36 4.806 4.667 -8.162 1.00 0.00 H new ATOM 0 HG1 THR A 36 2.492 5.289 -7.725 1.00 0.00 H new ATOM 0 HG21 THR A 36 2.930 3.124 -8.598 1.00 0.00 H new ATOM 0 HG22 THR A 36 4.289 2.249 -7.855 1.00 0.00 H new ATOM 0 HG23 THR A 36 2.871 2.689 -6.873 1.00 0.00 H new ATOM 501 N GLN A 37 4.846 6.417 -5.034 1.00 0.00 N ATOM 502 CA GLN A 37 5.309 7.721 -4.591 1.00 0.00 C ATOM 503 C GLN A 37 5.096 7.875 -3.083 1.00 0.00 C ATOM 504 O GLN A 37 4.038 7.524 -2.563 1.00 0.00 O ATOM 505 CB GLN A 37 4.609 8.842 -5.361 1.00 0.00 C ATOM 506 CG GLN A 37 5.078 8.883 -6.817 1.00 0.00 C ATOM 507 CD GLN A 37 3.931 9.269 -7.752 1.00 0.00 C ATOM 508 OE1 GLN A 37 2.762 9.174 -7.415 1.00 0.00 O ATOM 509 NE2 GLN A 37 4.328 9.709 -8.943 1.00 0.00 N ATOM 0 H GLN A 37 3.867 6.219 -4.827 1.00 0.00 H new ATOM 0 HA GLN A 37 6.377 7.796 -4.797 1.00 0.00 H new ATOM 0 HB2 GLN A 37 3.530 8.693 -5.327 1.00 0.00 H new ATOM 0 HB3 GLN A 37 4.813 9.800 -4.882 1.00 0.00 H new ATOM 0 HG2 GLN A 37 5.893 9.600 -6.920 1.00 0.00 H new ATOM 0 HG3 GLN A 37 5.473 7.908 -7.103 1.00 0.00 H new ATOM 0 HE21 GLN A 37 5.323 9.764 -9.161 1.00 0.00 H new ATOM 0 HE22 GLN A 37 3.637 9.992 -9.638 1.00 0.00 H new ATOM 518 N LYS A 38 6.118 8.401 -2.424 1.00 0.00 N ATOM 519 CA LYS A 38 6.055 8.606 -0.987 1.00 0.00 C ATOM 520 C LYS A 38 6.160 10.102 -0.684 1.00 0.00 C ATOM 521 O LYS A 38 7.251 10.670 -0.717 1.00 0.00 O ATOM 522 CB LYS A 38 7.115 7.759 -0.278 1.00 0.00 C ATOM 523 CG LYS A 38 6.935 6.274 -0.600 1.00 0.00 C ATOM 524 CD LYS A 38 7.571 5.398 0.481 1.00 0.00 C ATOM 525 CE LYS A 38 8.152 4.118 -0.123 1.00 0.00 C ATOM 526 NZ LYS A 38 9.504 4.370 -0.670 1.00 0.00 N ATOM 0 H LYS A 38 6.994 8.691 -2.859 1.00 0.00 H new ATOM 0 HA LYS A 38 5.095 8.268 -0.596 1.00 0.00 H new ATOM 0 HB2 LYS A 38 8.110 8.083 -0.584 1.00 0.00 H new ATOM 0 HB3 LYS A 38 7.047 7.912 0.799 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.873 6.042 -0.683 1.00 0.00 H new ATOM 0 HG3 LYS A 38 7.386 6.050 -1.567 1.00 0.00 H new ATOM 0 HD2 LYS A 38 8.358 5.955 0.989 1.00 0.00 H new ATOM 0 HD3 LYS A 38 6.825 5.143 1.233 1.00 0.00 H new ATOM 0 HE2 LYS A 38 8.201 3.339 0.638 1.00 0.00 H new ATOM 0 HE3 LYS A 38 7.496 3.751 -0.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 10.015 3.469 -0.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 9.422 4.819 -1.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 10.026 5.000 -0.028 1.00 0.00 H new ATOM 540 N ASP A 39 5.012 10.697 -0.397 1.00 0.00 N ATOM 541 CA ASP A 39 4.961 12.116 -0.088 1.00 0.00 C ATOM 542 C ASP A 39 4.803 12.300 1.422 1.00 0.00 C ATOM 543 O ASP A 39 3.712 12.118 1.962 1.00 0.00 O ATOM 544 CB ASP A 39 3.769 12.786 -0.774 1.00 0.00 C ATOM 545 CG ASP A 39 3.928 14.287 -1.027 1.00 0.00 C ATOM 546 OD1 ASP A 39 3.902 15.036 -0.027 1.00 0.00 O ATOM 547 OD2 ASP A 39 4.073 14.650 -2.214 1.00 0.00 O ATOM 0 H ASP A 39 4.110 10.222 -0.372 1.00 0.00 H new ATOM 0 HA ASP A 39 5.885 12.572 -0.444 1.00 0.00 H new ATOM 0 HB2 ASP A 39 3.591 12.289 -1.728 1.00 0.00 H new ATOM 0 HB3 ASP A 39 2.881 12.628 -0.162 1.00 0.00 H new ATOM 552 N GLY A 40 5.906 12.659 2.061 1.00 0.00 N ATOM 553 CA GLY A 40 5.903 12.870 3.499 1.00 0.00 C ATOM 554 C GLY A 40 5.529 11.585 4.241 1.00 0.00 C ATOM 555 O GLY A 40 6.169 10.551 4.059 1.00 0.00 O ATOM 0 H GLY A 40 6.808 12.809 1.610 1.00 0.00 H new ATOM 0 HA2 GLY A 40 6.888 13.208 3.823 1.00 0.00 H new ATOM 0 HA3 GLY A 40 5.196 13.660 3.753 1.00 0.00 H new ATOM 559 N GLU A 41 4.494 11.693 5.061 1.00 0.00 N ATOM 560 CA GLU A 41 4.027 10.553 5.831 1.00 0.00 C ATOM 561 C GLU A 41 2.989 9.762 5.032 1.00 0.00 C ATOM 562 O GLU A 41 2.967 8.533 5.082 1.00 0.00 O ATOM 563 CB GLU A 41 3.458 10.998 7.180 1.00 0.00 C ATOM 564 CG GLU A 41 4.568 11.503 8.104 1.00 0.00 C ATOM 565 CD GLU A 41 5.338 10.335 8.725 1.00 0.00 C ATOM 566 OE1 GLU A 41 4.778 9.718 9.656 1.00 0.00 O ATOM 567 OE2 GLU A 41 6.469 10.087 8.254 1.00 0.00 O ATOM 0 H GLU A 41 3.966 12.553 5.209 1.00 0.00 H new ATOM 0 HA GLU A 41 4.878 9.901 6.030 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.722 11.787 7.026 1.00 0.00 H new ATOM 0 HB3 GLU A 41 2.938 10.164 7.652 1.00 0.00 H new ATOM 0 HG2 GLU A 41 5.253 12.137 7.542 1.00 0.00 H new ATOM 0 HG3 GLU A 41 4.137 12.120 8.893 1.00 0.00 H new ATOM 574 N TRP A 42 2.155 10.500 4.314 1.00 0.00 N ATOM 575 CA TRP A 42 1.117 9.882 3.506 1.00 0.00 C ATOM 576 C TRP A 42 1.707 9.585 2.126 1.00 0.00 C ATOM 577 O TRP A 42 1.941 10.500 1.337 1.00 0.00 O ATOM 578 CB TRP A 42 -0.130 10.767 3.445 1.00 0.00 C ATOM 579 CG TRP A 42 -0.921 10.818 4.754 1.00 0.00 C ATOM 580 CD1 TRP A 42 -0.566 11.393 5.911 1.00 0.00 C ATOM 581 CD2 TRP A 42 -2.224 10.246 4.993 1.00 0.00 C ATOM 582 NE1 TRP A 42 -1.540 11.234 6.875 1.00 0.00 N ATOM 583 CE2 TRP A 42 -2.581 10.514 6.299 1.00 0.00 C ATOM 584 CE3 TRP A 42 -3.074 9.526 4.135 1.00 0.00 C ATOM 585 CZ2 TRP A 42 -3.793 10.099 6.864 1.00 0.00 C ATOM 586 CZ3 TRP A 42 -4.281 9.118 4.714 1.00 0.00 C ATOM 587 CH2 TRP A 42 -4.655 9.380 6.027 1.00 0.00 C ATOM 0 H TRP A 42 2.177 11.519 4.275 1.00 0.00 H new ATOM 0 HA TRP A 42 0.787 8.944 3.953 1.00 0.00 H new ATOM 0 HB2 TRP A 42 0.168 11.779 3.173 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -0.783 10.403 2.652 1.00 0.00 H new ATOM 0 HD1 TRP A 42 0.366 11.915 6.069 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -1.503 11.581 7.834 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -2.816 9.305 3.110 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -4.049 10.321 7.889 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -4.970 8.560 4.097 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -5.606 9.030 6.400 1.00 0.00 H new ATOM 598 N TRP A 43 1.929 8.303 1.876 1.00 0.00 N ATOM 599 CA TRP A 43 2.487 7.874 0.605 1.00 0.00 C ATOM 600 C TRP A 43 1.325 7.580 -0.346 1.00 0.00 C ATOM 601 O TRP A 43 0.187 7.417 0.091 1.00 0.00 O ATOM 602 CB TRP A 43 3.423 6.679 0.793 1.00 0.00 C ATOM 603 CG TRP A 43 4.466 6.872 1.896 1.00 0.00 C ATOM 604 CD1 TRP A 43 5.015 8.018 2.321 1.00 0.00 C ATOM 605 CD2 TRP A 43 5.066 5.836 2.702 1.00 0.00 C ATOM 606 NE1 TRP A 43 5.921 7.798 3.338 1.00 0.00 N ATOM 607 CE2 TRP A 43 5.954 6.429 3.577 1.00 0.00 C ATOM 608 CE3 TRP A 43 4.866 4.444 2.692 1.00 0.00 C ATOM 609 CZ2 TRP A 43 6.711 5.707 4.507 1.00 0.00 C ATOM 610 CZ3 TRP A 43 5.631 3.737 3.627 1.00 0.00 C ATOM 611 CH2 TRP A 43 6.529 4.319 4.515 1.00 0.00 C ATOM 0 H TRP A 43 1.732 7.547 2.532 1.00 0.00 H new ATOM 0 HA TRP A 43 3.103 8.660 0.169 1.00 0.00 H new ATOM 0 HB2 TRP A 43 2.826 5.796 1.022 1.00 0.00 H new ATOM 0 HB3 TRP A 43 3.937 6.481 -0.148 1.00 0.00 H new ATOM 0 HD1 TRP A 43 4.778 8.992 1.918 1.00 0.00 H new ATOM 0 HE1 TRP A 43 6.466 8.509 3.825 1.00 0.00 H new ATOM 0 HE3 TRP A 43 4.177 3.959 2.017 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 7.399 6.195 5.182 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 5.516 2.664 3.661 1.00 0.00 H new ATOM 0 HH2 TRP A 43 7.083 3.703 5.208 1.00 0.00 H new ATOM 622 N THR A 44 1.653 7.522 -1.629 1.00 0.00 N ATOM 623 CA THR A 44 0.651 7.251 -2.645 1.00 0.00 C ATOM 624 C THR A 44 0.716 5.786 -3.081 1.00 0.00 C ATOM 625 O THR A 44 1.716 5.346 -3.645 1.00 0.00 O ATOM 626 CB THR A 44 0.865 8.237 -3.795 1.00 0.00 C ATOM 627 OG1 THR A 44 0.522 9.502 -3.237 1.00 0.00 O ATOM 628 CG2 THR A 44 -0.146 8.044 -4.928 1.00 0.00 C ATOM 0 H THR A 44 2.598 7.658 -1.987 1.00 0.00 H new ATOM 0 HA THR A 44 -0.356 7.397 -2.256 1.00 0.00 H new ATOM 0 HB THR A 44 1.876 8.123 -4.186 1.00 0.00 H new ATOM 0 HG1 THR A 44 0.634 10.200 -3.916 1.00 0.00 H new ATOM 0 HG21 THR A 44 0.050 8.769 -5.718 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.054 7.035 -5.330 1.00 0.00 H new ATOM 0 HG23 THR A 44 -1.155 8.191 -4.544 1.00 0.00 H new ATOM 636 N GLY A 45 -0.364 5.070 -2.802 1.00 0.00 N ATOM 637 CA GLY A 45 -0.442 3.663 -3.158 1.00 0.00 C ATOM 638 C GLY A 45 -1.223 3.469 -4.459 1.00 0.00 C ATOM 639 O GLY A 45 -1.892 4.389 -4.928 1.00 0.00 O ATOM 0 H GLY A 45 -1.192 5.438 -2.334 1.00 0.00 H new ATOM 0 HA2 GLY A 45 0.563 3.256 -3.269 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -0.924 3.107 -2.354 1.00 0.00 H new ATOM 643 N SER A 46 -1.113 2.267 -5.004 1.00 0.00 N ATOM 644 CA SER A 46 -1.800 1.941 -6.242 1.00 0.00 C ATOM 645 C SER A 46 -2.295 0.494 -6.200 1.00 0.00 C ATOM 646 O SER A 46 -1.639 -0.374 -5.626 1.00 0.00 O ATOM 647 CB SER A 46 -0.888 2.155 -7.452 1.00 0.00 C ATOM 648 OG SER A 46 -1.618 2.566 -8.604 1.00 0.00 O ATOM 0 H SER A 46 -0.558 1.507 -4.611 1.00 0.00 H new ATOM 0 HA SER A 46 -2.656 2.609 -6.344 1.00 0.00 H new ATOM 0 HB2 SER A 46 -0.137 2.907 -7.211 1.00 0.00 H new ATOM 0 HB3 SER A 46 -0.354 1.230 -7.672 1.00 0.00 H new ATOM 0 HG SER A 46 -2.573 2.396 -8.464 1.00 0.00 H new ATOM 654 N ILE A 47 -3.449 0.279 -6.815 1.00 0.00 N ATOM 655 CA ILE A 47 -4.040 -1.048 -6.855 1.00 0.00 C ATOM 656 C ILE A 47 -4.612 -1.306 -8.250 1.00 0.00 C ATOM 657 O ILE A 47 -5.604 -0.693 -8.640 1.00 0.00 O ATOM 658 CB ILE A 47 -5.064 -1.213 -5.730 1.00 0.00 C ATOM 659 CG1 ILE A 47 -4.403 -1.058 -4.359 1.00 0.00 C ATOM 660 CG2 ILE A 47 -5.811 -2.542 -5.859 1.00 0.00 C ATOM 661 CD1 ILE A 47 -5.447 -0.785 -3.274 1.00 0.00 C ATOM 0 H ILE A 47 -3.990 1.002 -7.290 1.00 0.00 H new ATOM 0 HA ILE A 47 -3.280 -1.808 -6.677 1.00 0.00 H new ATOM 0 HB ILE A 47 -5.803 -0.418 -5.822 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -3.848 -1.964 -4.115 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -3.682 -0.241 -4.389 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -6.533 -2.634 -5.047 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -6.334 -2.574 -6.815 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -5.099 -3.366 -5.807 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -4.950 -0.679 -2.310 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -5.984 0.134 -3.509 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -6.152 -1.615 -3.230 1.00 0.00 H new ATOM 673 N GLY A 48 -3.961 -2.213 -8.963 1.00 0.00 N ATOM 674 CA GLY A 48 -4.393 -2.559 -10.307 1.00 0.00 C ATOM 675 C GLY A 48 -4.270 -1.359 -11.248 1.00 0.00 C ATOM 676 O GLY A 48 -3.374 -1.314 -12.090 1.00 0.00 O ATOM 0 H GLY A 48 -3.138 -2.719 -8.636 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -3.791 -3.385 -10.685 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -5.427 -2.903 -10.283 1.00 0.00 H new ATOM 680 N ASP A 49 -5.183 -0.415 -11.074 1.00 0.00 N ATOM 681 CA ASP A 49 -5.189 0.782 -11.898 1.00 0.00 C ATOM 682 C ASP A 49 -5.757 1.950 -11.089 1.00 0.00 C ATOM 683 O ASP A 49 -6.221 2.937 -11.658 1.00 0.00 O ATOM 684 CB ASP A 49 -6.066 0.595 -13.137 1.00 0.00 C ATOM 685 CG ASP A 49 -5.774 1.560 -14.288 1.00 0.00 C ATOM 686 OD1 ASP A 49 -4.599 1.969 -14.402 1.00 0.00 O ATOM 687 OD2 ASP A 49 -6.734 1.868 -15.027 1.00 0.00 O ATOM 0 H ASP A 49 -5.924 -0.455 -10.374 1.00 0.00 H new ATOM 0 HA ASP A 49 -4.164 0.981 -12.209 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -5.944 -0.426 -13.499 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -7.110 0.707 -12.845 1.00 0.00 H new ATOM 692 N ARG A 50 -5.703 1.799 -9.774 1.00 0.00 N ATOM 693 CA ARG A 50 -6.207 2.829 -8.881 1.00 0.00 C ATOM 694 C ARG A 50 -5.045 3.596 -8.246 1.00 0.00 C ATOM 695 O ARG A 50 -3.921 3.099 -8.198 1.00 0.00 O ATOM 696 CB ARG A 50 -7.073 2.223 -7.775 1.00 0.00 C ATOM 697 CG ARG A 50 -8.242 1.431 -8.366 1.00 0.00 C ATOM 698 CD ARG A 50 -9.157 0.898 -7.261 1.00 0.00 C ATOM 699 NE ARG A 50 -9.188 -0.581 -7.299 1.00 0.00 N ATOM 700 CZ ARG A 50 -10.083 -1.331 -6.642 1.00 0.00 C ATOM 701 NH1 ARG A 50 -11.028 -0.745 -5.894 1.00 0.00 N ATOM 702 NH2 ARG A 50 -10.035 -2.667 -6.734 1.00 0.00 N ATOM 0 H ARG A 50 -5.318 0.979 -9.305 1.00 0.00 H new ATOM 0 HA ARG A 50 -6.817 3.511 -9.473 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -6.465 1.569 -7.149 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -7.454 3.016 -7.131 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -8.814 2.068 -9.041 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -7.860 0.600 -8.959 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -8.802 1.238 -6.288 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -10.164 1.294 -7.389 1.00 0.00 H new ATOM 0 HE ARG A 50 -8.484 -1.060 -7.861 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -11.066 0.272 -5.825 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -11.709 -1.316 -5.394 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -9.317 -3.113 -7.304 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -10.717 -3.237 -6.234 1.00 0.00 H new ATOM 716 N SER A 51 -5.356 4.795 -7.775 1.00 0.00 N ATOM 717 CA SER A 51 -4.352 5.635 -7.146 1.00 0.00 C ATOM 718 C SER A 51 -4.993 6.478 -6.041 1.00 0.00 C ATOM 719 O SER A 51 -6.176 6.809 -6.115 1.00 0.00 O ATOM 720 CB SER A 51 -3.668 6.539 -8.173 1.00 0.00 C ATOM 721 OG SER A 51 -4.299 6.471 -9.449 1.00 0.00 O ATOM 0 H SER A 51 -6.289 5.204 -7.817 1.00 0.00 H new ATOM 0 HA SER A 51 -3.592 4.989 -6.707 1.00 0.00 H new ATOM 0 HB2 SER A 51 -3.682 7.569 -7.816 1.00 0.00 H new ATOM 0 HB3 SER A 51 -2.622 6.250 -8.270 1.00 0.00 H new ATOM 0 HG SER A 51 -3.834 7.063 -10.076 1.00 0.00 H new ATOM 727 N GLY A 52 -4.185 6.800 -5.043 1.00 0.00 N ATOM 728 CA GLY A 52 -4.658 7.598 -3.924 1.00 0.00 C ATOM 729 C GLY A 52 -3.608 7.662 -2.813 1.00 0.00 C ATOM 730 O GLY A 52 -2.531 7.081 -2.938 1.00 0.00 O ATOM 0 H GLY A 52 -3.205 6.523 -4.985 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -4.893 8.606 -4.265 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -5.581 7.171 -3.533 1.00 0.00 H new ATOM 734 N ILE A 53 -3.958 8.373 -1.752 1.00 0.00 N ATOM 735 CA ILE A 53 -3.060 8.521 -0.619 1.00 0.00 C ATOM 736 C ILE A 53 -3.506 7.584 0.505 1.00 0.00 C ATOM 737 O ILE A 53 -4.657 7.153 0.539 1.00 0.00 O ATOM 738 CB ILE A 53 -2.966 9.988 -0.197 1.00 0.00 C ATOM 739 CG1 ILE A 53 -4.335 10.526 0.226 1.00 0.00 C ATOM 740 CG2 ILE A 53 -2.333 10.837 -1.301 1.00 0.00 C ATOM 741 CD1 ILE A 53 -4.190 11.640 1.264 1.00 0.00 C ATOM 0 H ILE A 53 -4.852 8.854 -1.653 1.00 0.00 H new ATOM 0 HA ILE A 53 -2.047 8.228 -0.895 1.00 0.00 H new ATOM 0 HB ILE A 53 -2.312 10.052 0.673 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -4.866 10.905 -0.647 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -4.936 9.716 0.639 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -2.278 11.876 -0.975 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -1.329 10.469 -1.512 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -2.940 10.772 -2.204 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -5.178 12.004 1.547 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -3.680 11.252 2.146 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -3.609 12.459 0.840 1.00 0.00 H new ATOM 753 N PHE A 54 -2.571 7.298 1.399 1.00 0.00 N ATOM 754 CA PHE A 54 -2.853 6.421 2.523 1.00 0.00 C ATOM 755 C PHE A 54 -1.818 6.604 3.635 1.00 0.00 C ATOM 756 O PHE A 54 -0.732 7.130 3.397 1.00 0.00 O ATOM 757 CB PHE A 54 -2.774 4.985 2.000 1.00 0.00 C ATOM 758 CG PHE A 54 -1.358 4.531 1.641 1.00 0.00 C ATOM 759 CD1 PHE A 54 -0.476 4.211 2.626 1.00 0.00 C ATOM 760 CD2 PHE A 54 -0.981 4.447 0.337 1.00 0.00 C ATOM 761 CE1 PHE A 54 0.839 3.790 2.293 1.00 0.00 C ATOM 762 CE2 PHE A 54 0.334 4.025 0.004 1.00 0.00 C ATOM 763 CZ PHE A 54 1.216 3.706 0.989 1.00 0.00 C ATOM 0 H PHE A 54 -1.617 7.658 1.368 1.00 0.00 H new ATOM 0 HA PHE A 54 -3.835 6.650 2.937 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -3.180 4.311 2.755 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -3.408 4.895 1.118 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -0.776 4.277 3.661 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -1.681 4.701 -0.445 1.00 0.00 H new ATOM 0 HE1 PHE A 54 1.539 3.537 3.075 1.00 0.00 H new ATOM 0 HE2 PHE A 54 0.633 3.957 -1.031 1.00 0.00 H new ATOM 0 HZ PHE A 54 2.216 3.386 0.736 1.00 0.00 H new ATOM 773 N PRO A 55 -2.202 6.148 4.858 1.00 0.00 N ATOM 774 CA PRO A 55 -1.320 6.256 6.007 1.00 0.00 C ATOM 775 C PRO A 55 -0.195 5.221 5.935 1.00 0.00 C ATOM 776 O PRO A 55 -0.456 4.021 5.854 1.00 0.00 O ATOM 777 CB PRO A 55 -2.223 6.069 7.215 1.00 0.00 C ATOM 778 CG PRO A 55 -3.486 5.403 6.692 1.00 0.00 C ATOM 779 CD PRO A 55 -3.480 5.519 5.177 1.00 0.00 C ATOM 0 HA PRO A 55 -0.807 7.217 6.055 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -1.740 5.451 7.972 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -2.452 7.026 7.684 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -3.519 4.356 6.995 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -4.371 5.883 7.108 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -3.569 4.541 4.705 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -4.317 6.121 4.823 1.00 0.00 H new ATOM 787 N SER A 56 1.031 5.722 5.967 1.00 0.00 N ATOM 788 CA SER A 56 2.195 4.856 5.906 1.00 0.00 C ATOM 789 C SER A 56 2.353 4.098 7.226 1.00 0.00 C ATOM 790 O SER A 56 3.225 3.240 7.353 1.00 0.00 O ATOM 791 CB SER A 56 3.462 5.657 5.600 1.00 0.00 C ATOM 792 OG SER A 56 3.944 6.354 6.746 1.00 0.00 O ATOM 0 H SER A 56 1.243 6.717 6.034 1.00 0.00 H new ATOM 0 HA SER A 56 2.046 4.140 5.098 1.00 0.00 H new ATOM 0 HB2 SER A 56 4.237 4.984 5.233 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.256 6.370 4.802 1.00 0.00 H new ATOM 0 HG SER A 56 3.805 7.317 6.626 1.00 0.00 H new ATOM 798 N ASN A 57 1.496 4.443 8.176 1.00 0.00 N ATOM 799 CA ASN A 57 1.529 3.806 9.481 1.00 0.00 C ATOM 800 C ASN A 57 0.473 2.700 9.531 1.00 0.00 C ATOM 801 O ASN A 57 0.264 2.083 10.575 1.00 0.00 O ATOM 802 CB ASN A 57 1.216 4.810 10.592 1.00 0.00 C ATOM 803 CG ASN A 57 1.366 4.165 11.972 1.00 0.00 C ATOM 804 OD1 ASN A 57 2.199 3.302 12.195 1.00 0.00 O ATOM 805 ND2 ASN A 57 0.515 4.631 12.882 1.00 0.00 N ATOM 0 H ASN A 57 0.774 5.156 8.068 1.00 0.00 H new ATOM 0 HA ASN A 57 2.529 3.401 9.633 1.00 0.00 H new ATOM 0 HB2 ASN A 57 1.885 5.667 10.512 1.00 0.00 H new ATOM 0 HB3 ASN A 57 0.200 5.187 10.471 1.00 0.00 H new ATOM 0 HD21 ASN A 57 0.535 4.265 13.834 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -0.157 5.355 12.628 1.00 0.00 H new ATOM 812 N TYR A 58 -0.165 2.483 8.391 1.00 0.00 N ATOM 813 CA TYR A 58 -1.194 1.462 8.291 1.00 0.00 C ATOM 814 C TYR A 58 -0.812 0.395 7.264 1.00 0.00 C ATOM 815 O TYR A 58 -1.601 -0.501 6.971 1.00 0.00 O ATOM 816 CB TYR A 58 -2.457 2.182 7.815 1.00 0.00 C ATOM 817 CG TYR A 58 -3.182 2.960 8.915 1.00 0.00 C ATOM 818 CD1 TYR A 58 -2.506 3.918 9.643 1.00 0.00 C ATOM 819 CD2 TYR A 58 -4.513 2.704 9.179 1.00 0.00 C ATOM 820 CE1 TYR A 58 -3.189 4.650 10.679 1.00 0.00 C ATOM 821 CE2 TYR A 58 -5.195 3.436 10.215 1.00 0.00 C ATOM 822 CZ TYR A 58 -4.500 4.373 10.913 1.00 0.00 C ATOM 823 OH TYR A 58 -5.144 5.064 11.891 1.00 0.00 O ATOM 0 H TYR A 58 0.011 2.997 7.528 1.00 0.00 H new ATOM 0 HA TYR A 58 -1.333 0.963 9.250 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -2.190 2.870 7.013 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -3.143 1.449 7.391 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -1.465 4.119 9.436 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -5.042 1.955 8.609 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -2.672 5.402 11.257 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -6.235 3.245 10.433 1.00 0.00 H new ATOM 0 HH TYR A 58 -6.075 4.762 11.946 1.00 0.00 H new ATOM 833 N VAL A 59 0.400 0.527 6.744 1.00 0.00 N ATOM 834 CA VAL A 59 0.897 -0.414 5.755 1.00 0.00 C ATOM 835 C VAL A 59 2.310 -0.855 6.142 1.00 0.00 C ATOM 836 O VAL A 59 3.101 -0.053 6.637 1.00 0.00 O ATOM 837 CB VAL A 59 0.826 0.208 4.359 1.00 0.00 C ATOM 838 CG1 VAL A 59 -0.616 0.560 3.988 1.00 0.00 C ATOM 839 CG2 VAL A 59 1.734 1.435 4.259 1.00 0.00 C ATOM 0 H VAL A 59 1.052 1.272 6.989 1.00 0.00 H new ATOM 0 HA VAL A 59 0.273 -1.307 5.730 1.00 0.00 H new ATOM 0 HB VAL A 59 1.184 -0.532 3.644 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -0.638 1.000 2.991 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -1.225 -0.344 3.999 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -1.013 1.274 4.709 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.665 1.858 3.257 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.420 2.180 4.990 1.00 0.00 H new ATOM 0 HG23 VAL A 59 2.765 1.142 4.459 1.00 0.00 H new ATOM 849 N LYS A 60 2.585 -2.129 5.902 1.00 0.00 N ATOM 850 CA LYS A 60 3.888 -2.686 6.219 1.00 0.00 C ATOM 851 C LYS A 60 4.564 -3.158 4.930 1.00 0.00 C ATOM 852 O LYS A 60 3.895 -3.400 3.927 1.00 0.00 O ATOM 853 CB LYS A 60 3.760 -3.780 7.282 1.00 0.00 C ATOM 854 CG LYS A 60 3.362 -5.115 6.649 1.00 0.00 C ATOM 855 CD LYS A 60 2.850 -6.093 7.708 1.00 0.00 C ATOM 856 CE LYS A 60 3.359 -7.510 7.439 1.00 0.00 C ATOM 857 NZ LYS A 60 3.294 -8.327 8.671 1.00 0.00 N ATOM 0 H LYS A 60 1.927 -2.791 5.491 1.00 0.00 H new ATOM 0 HA LYS A 60 4.532 -1.923 6.656 1.00 0.00 H new ATOM 0 HB2 LYS A 60 4.707 -3.892 7.810 1.00 0.00 H new ATOM 0 HB3 LYS A 60 3.015 -3.488 8.022 1.00 0.00 H new ATOM 0 HG2 LYS A 60 2.590 -4.949 5.898 1.00 0.00 H new ATOM 0 HG3 LYS A 60 4.220 -5.547 6.134 1.00 0.00 H new ATOM 0 HD2 LYS A 60 3.176 -5.768 8.696 1.00 0.00 H new ATOM 0 HD3 LYS A 60 1.760 -6.090 7.714 1.00 0.00 H new ATOM 0 HE2 LYS A 60 2.761 -7.975 6.655 1.00 0.00 H new ATOM 0 HE3 LYS A 60 4.386 -7.471 7.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 3.643 -9.286 8.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 3.884 -7.891 9.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 2.309 -8.379 9.001 1.00 0.00 H new ATOM 871 N PRO A 61 5.917 -3.278 5.001 1.00 0.00 N ATOM 872 CA PRO A 61 6.690 -3.716 3.852 1.00 0.00 C ATOM 873 C PRO A 61 6.534 -5.222 3.628 1.00 0.00 C ATOM 874 O PRO A 61 6.887 -6.022 4.493 1.00 0.00 O ATOM 875 CB PRO A 61 8.121 -3.308 4.162 1.00 0.00 C ATOM 876 CG PRO A 61 8.173 -3.076 5.663 1.00 0.00 C ATOM 877 CD PRO A 61 6.743 -3.000 6.173 1.00 0.00 C ATOM 0 HA PRO A 61 6.353 -3.262 2.920 1.00 0.00 H new ATOM 0 HB2 PRO A 61 8.823 -4.087 3.863 1.00 0.00 H new ATOM 0 HB3 PRO A 61 8.396 -2.405 3.618 1.00 0.00 H new ATOM 0 HG2 PRO A 61 8.711 -3.885 6.156 1.00 0.00 H new ATOM 0 HG3 PRO A 61 8.708 -2.154 5.888 1.00 0.00 H new ATOM 0 HD2 PRO A 61 6.565 -3.728 6.964 1.00 0.00 H new ATOM 0 HD3 PRO A 61 6.522 -2.017 6.589 1.00 0.00 H new ATOM 885 N LYS A 62 6.004 -5.562 2.462 1.00 0.00 N ATOM 886 CA LYS A 62 5.797 -6.957 2.113 1.00 0.00 C ATOM 887 C LYS A 62 7.120 -7.714 2.246 1.00 0.00 C ATOM 888 O LYS A 62 7.952 -7.679 1.341 1.00 0.00 O ATOM 889 CB LYS A 62 5.158 -7.074 0.728 1.00 0.00 C ATOM 890 CG LYS A 62 4.171 -8.242 0.676 1.00 0.00 C ATOM 891 CD LYS A 62 3.277 -8.150 -0.563 1.00 0.00 C ATOM 892 CE LYS A 62 3.850 -8.978 -1.715 1.00 0.00 C ATOM 893 NZ LYS A 62 4.999 -8.279 -2.333 1.00 0.00 N ATOM 0 H LYS A 62 5.712 -4.895 1.747 1.00 0.00 H new ATOM 0 HA LYS A 62 5.093 -7.422 2.804 1.00 0.00 H new ATOM 0 HB2 LYS A 62 4.642 -6.146 0.482 1.00 0.00 H new ATOM 0 HB3 LYS A 62 5.934 -7.216 -0.024 1.00 0.00 H new ATOM 0 HG2 LYS A 62 4.718 -9.185 0.665 1.00 0.00 H new ATOM 0 HG3 LYS A 62 3.554 -8.242 1.575 1.00 0.00 H new ATOM 0 HD2 LYS A 62 2.275 -8.503 -0.320 1.00 0.00 H new ATOM 0 HD3 LYS A 62 3.182 -7.109 -0.871 1.00 0.00 H new ATOM 0 HE2 LYS A 62 4.165 -9.954 -1.347 1.00 0.00 H new ATOM 0 HE3 LYS A 62 3.078 -9.154 -2.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 4.745 -7.976 -3.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 5.246 -7.446 -1.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 5.814 -8.923 -2.377 1.00 0.00 H new ATOM 907 N ASP A 63 7.273 -8.380 3.381 1.00 0.00 N ATOM 908 CA ASP A 63 8.480 -9.144 3.644 1.00 0.00 C ATOM 909 C ASP A 63 8.326 -9.895 4.967 1.00 0.00 C ATOM 910 O ASP A 63 7.454 -9.570 5.772 1.00 0.00 O ATOM 911 CB ASP A 63 9.698 -8.226 3.761 1.00 0.00 C ATOM 912 CG ASP A 63 10.955 -8.724 3.044 1.00 0.00 C ATOM 913 OD1 ASP A 63 11.730 -9.453 3.699 1.00 0.00 O ATOM 914 OD2 ASP A 63 11.112 -8.364 1.858 1.00 0.00 O ATOM 0 H ASP A 63 6.580 -8.406 4.129 1.00 0.00 H new ATOM 0 HA ASP A 63 8.628 -9.836 2.815 1.00 0.00 H new ATOM 0 HB2 ASP A 63 9.435 -7.246 3.363 1.00 0.00 H new ATOM 0 HB3 ASP A 63 9.931 -8.089 4.817 1.00 0.00 H new ATOM 919 N SER A 64 9.186 -10.886 5.153 1.00 0.00 N ATOM 920 CA SER A 64 9.155 -11.687 6.365 1.00 0.00 C ATOM 921 C SER A 64 7.935 -12.609 6.353 1.00 0.00 C ATOM 922 O SER A 64 8.076 -13.830 6.309 1.00 0.00 O ATOM 923 CB SER A 64 9.137 -10.798 7.611 1.00 0.00 C ATOM 924 OG SER A 64 9.521 -11.514 8.782 1.00 0.00 O ATOM 0 H SER A 64 9.909 -11.152 4.484 1.00 0.00 H new ATOM 0 HA SER A 64 10.060 -12.294 6.397 1.00 0.00 H new ATOM 0 HB2 SER A 64 9.811 -9.954 7.464 1.00 0.00 H new ATOM 0 HB3 SER A 64 8.137 -10.387 7.749 1.00 0.00 H new ATOM 0 HG SER A 64 9.499 -10.912 9.555 1.00 0.00 H new ATOM 930 N GLY A 65 6.764 -11.990 6.392 1.00 0.00 N ATOM 931 CA GLY A 65 5.520 -12.740 6.386 1.00 0.00 C ATOM 932 C GLY A 65 4.665 -12.374 5.171 1.00 0.00 C ATOM 933 O GLY A 65 3.703 -11.616 5.290 1.00 0.00 O ATOM 0 H GLY A 65 6.651 -10.977 6.428 1.00 0.00 H new ATOM 0 HA2 GLY A 65 5.735 -13.808 6.375 1.00 0.00 H new ATOM 0 HA3 GLY A 65 4.964 -12.536 7.301 1.00 0.00 H new ATOM 937 N PRO A 66 5.056 -12.944 4.001 1.00 0.00 N ATOM 938 CA PRO A 66 4.337 -12.686 2.765 1.00 0.00 C ATOM 939 C PRO A 66 3.010 -13.449 2.733 1.00 0.00 C ATOM 940 O PRO A 66 2.959 -14.594 2.288 1.00 0.00 O ATOM 941 CB PRO A 66 5.290 -13.107 1.659 1.00 0.00 C ATOM 942 CG PRO A 66 6.318 -14.013 2.317 1.00 0.00 C ATOM 943 CD PRO A 66 6.190 -13.847 3.822 1.00 0.00 C ATOM 0 HA PRO A 66 4.056 -11.639 2.653 1.00 0.00 H new ATOM 0 HB2 PRO A 66 4.759 -13.631 0.864 1.00 0.00 H new ATOM 0 HB3 PRO A 66 5.768 -12.239 1.204 1.00 0.00 H new ATOM 0 HG2 PRO A 66 6.150 -15.051 2.032 1.00 0.00 H new ATOM 0 HG3 PRO A 66 7.324 -13.751 1.988 1.00 0.00 H new ATOM 0 HD2 PRO A 66 6.015 -14.805 4.312 1.00 0.00 H new ATOM 0 HD3 PRO A 66 7.100 -13.430 4.253 1.00 0.00 H new ATOM 951 N SER A 67 1.970 -12.783 3.212 1.00 0.00 N ATOM 952 CA SER A 67 0.647 -13.383 3.244 1.00 0.00 C ATOM 953 C SER A 67 0.304 -13.966 1.872 1.00 0.00 C ATOM 954 O SER A 67 0.671 -13.400 0.844 1.00 0.00 O ATOM 955 CB SER A 67 -0.411 -12.363 3.668 1.00 0.00 C ATOM 956 OG SER A 67 -1.725 -12.912 3.636 1.00 0.00 O ATOM 0 H SER A 67 2.017 -11.833 3.581 1.00 0.00 H new ATOM 0 HA SER A 67 0.653 -14.186 3.981 1.00 0.00 H new ATOM 0 HB2 SER A 67 -0.190 -12.009 4.675 1.00 0.00 H new ATOM 0 HB3 SER A 67 -0.364 -11.497 3.008 1.00 0.00 H new ATOM 0 HG SER A 67 -2.371 -12.230 3.915 1.00 0.00 H new ATOM 962 N SER A 68 -0.397 -15.090 1.900 1.00 0.00 N ATOM 963 CA SER A 68 -0.794 -15.756 0.671 1.00 0.00 C ATOM 964 C SER A 68 0.444 -16.228 -0.092 1.00 0.00 C ATOM 965 O SER A 68 0.877 -15.580 -1.043 1.00 0.00 O ATOM 966 CB SER A 68 -1.638 -14.830 -0.208 1.00 0.00 C ATOM 967 OG SER A 68 -2.655 -15.541 -0.909 1.00 0.00 O ATOM 0 H SER A 68 -0.700 -15.557 2.755 1.00 0.00 H new ATOM 0 HA SER A 68 -1.403 -16.621 0.932 1.00 0.00 H new ATOM 0 HB2 SER A 68 -2.096 -14.059 0.412 1.00 0.00 H new ATOM 0 HB3 SER A 68 -0.992 -14.321 -0.924 1.00 0.00 H new ATOM 0 HG SER A 68 -3.173 -14.915 -1.457 1.00 0.00 H new ATOM 973 N GLY A 69 0.981 -17.355 0.354 1.00 0.00 N ATOM 974 CA GLY A 69 2.161 -17.922 -0.274 1.00 0.00 C ATOM 975 C GLY A 69 3.435 -17.475 0.447 1.00 0.00 C ATOM 976 O GLY A 69 3.844 -18.090 1.430 1.00 0.00 O ATOM 0 H GLY A 69 0.620 -17.890 1.143 1.00 0.00 H new ATOM 0 HA2 GLY A 69 2.096 -19.010 -0.263 1.00 0.00 H new ATOM 0 HA3 GLY A 69 2.204 -17.615 -1.319 1.00 0.00 H new TER 980 GLY A 69