USER MOD reduce.3.24.130724 H: found=0, std=0, add=493, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 494 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 26 TYR OH : rot 120:sc= -1.53! USER MOD Set 1.2: A 36 THR OG1 : rot 77:sc= 0.295 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 60:sc= 1 USER MOD Single : A 10 ASN : amide:sc= -6.31! C(o=-6.3!,f=-9.9!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 ASN : amide:sc= -6.06! C(o=-6.1!,f=-12!) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 ASN :FLIP amide:sc= -2.48 F(o=-4.6!,f=-2.5) USER MOD Single : A 38 ASN : amide:sc= -1.81! C(o=-1.8!,f=-5.5!) USER MOD Single : A 42 ASN : amide:sc= -10.7! C(o=-11!,f=-15!) USER MOD Single : A 48 ASN : amide:sc= -0.186 X(o=-0.19,f=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot -167:sc= -1.08 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 28:sc= 0.176 USER MOD ----------------------------------------------------------------- ATOM 43 N LYS A 4 0.670 10.621 8.489 1.00 0.00 N ATOM 44 CA LYS A 4 0.859 9.194 8.684 1.00 0.00 C ATOM 45 C LYS A 4 0.485 8.454 7.398 1.00 0.00 C ATOM 46 O LYS A 4 -0.669 8.068 7.213 1.00 0.00 O ATOM 47 CB LYS A 4 0.088 8.715 9.915 1.00 0.00 C ATOM 48 CG LYS A 4 1.037 8.449 11.087 1.00 0.00 C ATOM 49 CD LYS A 4 1.366 9.745 11.831 1.00 0.00 C ATOM 50 CE LYS A 4 2.617 9.579 12.693 1.00 0.00 C ATOM 51 NZ LYS A 4 3.151 10.900 13.093 1.00 0.00 N ATOM 0 HA LYS A 4 1.907 8.973 8.887 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -0.649 9.465 10.202 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -0.461 7.805 9.673 1.00 0.00 H new ATOM 0 HG2 LYS A 4 0.581 7.737 11.774 1.00 0.00 H new ATOM 0 HG3 LYS A 4 1.956 7.993 10.719 1.00 0.00 H new ATOM 0 HD2 LYS A 4 1.519 10.552 11.114 1.00 0.00 H new ATOM 0 HD3 LYS A 4 0.523 10.032 12.459 1.00 0.00 H new ATOM 0 HE2 LYS A 4 2.379 8.993 13.581 1.00 0.00 H new ATOM 0 HE3 LYS A 4 3.376 9.026 12.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 4.001 10.768 13.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 3.397 11.447 12.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 2.431 11.415 13.639 1.00 0.00 H new ATOM 65 N LEU A 5 1.481 8.277 6.543 1.00 0.00 N ATOM 66 CA LEU A 5 1.270 7.590 5.280 1.00 0.00 C ATOM 67 C LEU A 5 2.147 6.336 5.235 1.00 0.00 C ATOM 68 O LEU A 5 3.237 6.316 5.804 1.00 0.00 O ATOM 69 CB LEU A 5 1.500 8.544 4.106 1.00 0.00 C ATOM 70 CG LEU A 5 0.248 8.984 3.344 1.00 0.00 C ATOM 71 CD1 LEU A 5 -0.633 9.886 4.212 1.00 0.00 C ATOM 72 CD2 LEU A 5 0.618 9.649 2.018 1.00 0.00 C ATOM 0 H LEU A 5 2.437 8.597 6.700 1.00 0.00 H new ATOM 0 HA LEU A 5 0.235 7.260 5.194 1.00 0.00 H new ATOM 0 HB2 LEU A 5 2.005 9.434 4.481 1.00 0.00 H new ATOM 0 HB3 LEU A 5 2.180 8.065 3.402 1.00 0.00 H new ATOM 0 HG LEU A 5 -0.337 8.095 3.106 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -1.516 10.185 3.647 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -0.941 9.343 5.106 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -0.071 10.773 4.502 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -0.290 9.952 1.497 1.00 0.00 H new ATOM 0 HD22 LEU A 5 1.235 10.526 2.211 1.00 0.00 H new ATOM 0 HD23 LEU A 5 1.173 8.944 1.400 1.00 0.00 H new ATOM 84 N TYR A 6 1.638 5.322 4.552 1.00 0.00 N ATOM 85 CA TYR A 6 2.360 4.068 4.424 1.00 0.00 C ATOM 86 C TYR A 6 2.710 3.783 2.962 1.00 0.00 C ATOM 87 O TYR A 6 1.887 3.256 2.214 1.00 0.00 O ATOM 88 CB TYR A 6 1.410 2.981 4.930 1.00 0.00 C ATOM 89 CG TYR A 6 1.962 1.559 4.795 1.00 0.00 C ATOM 90 CD1 TYR A 6 1.730 0.836 3.644 1.00 0.00 C ATOM 91 CD2 TYR A 6 2.692 1.003 5.826 1.00 0.00 C ATOM 92 CE1 TYR A 6 2.250 -0.501 3.517 1.00 0.00 C ATOM 93 CE2 TYR A 6 3.212 -0.334 5.699 1.00 0.00 C ATOM 94 CZ TYR A 6 2.965 -1.021 4.551 1.00 0.00 C ATOM 95 OH TYR A 6 3.456 -2.283 4.431 1.00 0.00 O ATOM 0 H TYR A 6 0.734 5.343 4.081 1.00 0.00 H new ATOM 0 HA TYR A 6 3.293 4.103 4.987 1.00 0.00 H new ATOM 0 HB2 TYR A 6 1.181 3.173 5.978 1.00 0.00 H new ATOM 0 HB3 TYR A 6 0.471 3.049 4.381 1.00 0.00 H new ATOM 0 HD1 TYR A 6 1.159 1.272 2.838 1.00 0.00 H new ATOM 0 HD2 TYR A 6 2.873 1.570 6.727 1.00 0.00 H new ATOM 0 HE1 TYR A 6 2.076 -1.078 2.621 1.00 0.00 H new ATOM 0 HE2 TYR A 6 3.785 -0.781 6.497 1.00 0.00 H new ATOM 0 HH TYR A 6 4.064 -2.326 3.664 1.00 0.00 H new ATOM 105 N GLY A 7 3.932 4.143 2.598 1.00 0.00 N ATOM 106 CA GLY A 7 4.401 3.933 1.239 1.00 0.00 C ATOM 107 C GLY A 7 3.242 4.000 0.243 1.00 0.00 C ATOM 108 O GLY A 7 3.021 3.062 -0.522 1.00 0.00 O ATOM 0 H GLY A 7 4.612 4.579 3.221 1.00 0.00 H new ATOM 0 HA2 GLY A 7 5.146 4.688 0.987 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.893 2.963 1.166 1.00 0.00 H new ATOM 112 N ASP A 8 2.531 5.117 0.285 1.00 0.00 N ATOM 113 CA ASP A 8 1.399 5.318 -0.604 1.00 0.00 C ATOM 114 C ASP A 8 1.863 5.163 -2.054 1.00 0.00 C ATOM 115 O ASP A 8 3.020 5.434 -2.373 1.00 0.00 O ATOM 116 CB ASP A 8 0.814 6.722 -0.442 1.00 0.00 C ATOM 117 CG ASP A 8 -0.195 6.874 0.696 1.00 0.00 C ATOM 118 OD1 ASP A 8 0.118 6.381 1.803 1.00 0.00 O ATOM 119 OD2 ASP A 8 -1.258 7.479 0.437 1.00 0.00 O ATOM 0 H ASP A 8 2.717 5.893 0.921 1.00 0.00 H new ATOM 0 HA ASP A 8 0.637 4.580 -0.354 1.00 0.00 H new ATOM 0 HB2 ASP A 8 1.632 7.423 -0.278 1.00 0.00 H new ATOM 0 HB3 ASP A 8 0.331 7.008 -1.376 1.00 0.00 H new ATOM 124 N VAL A 9 0.936 4.727 -2.895 1.00 0.00 N ATOM 125 CA VAL A 9 1.234 4.534 -4.304 1.00 0.00 C ATOM 126 C VAL A 9 1.198 5.886 -5.019 1.00 0.00 C ATOM 127 O VAL A 9 2.195 6.311 -5.603 1.00 0.00 O ATOM 128 CB VAL A 9 0.269 3.512 -4.908 1.00 0.00 C ATOM 129 CG1 VAL A 9 -0.020 3.832 -6.375 1.00 0.00 C ATOM 130 CG2 VAL A 9 0.810 2.089 -4.753 1.00 0.00 C ATOM 0 H VAL A 9 -0.022 4.502 -2.627 1.00 0.00 H new ATOM 0 HA VAL A 9 2.237 4.127 -4.430 1.00 0.00 H new ATOM 0 HB VAL A 9 -0.671 3.574 -4.360 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -0.708 3.090 -6.780 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.468 4.823 -6.450 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.911 3.811 -6.942 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.105 1.382 -5.191 1.00 0.00 H new ATOM 0 HG22 VAL A 9 1.770 2.007 -5.263 1.00 0.00 H new ATOM 0 HG23 VAL A 9 0.941 1.863 -3.695 1.00 0.00 H new ATOM 140 N ASN A 10 0.041 6.525 -4.950 1.00 0.00 N ATOM 141 CA ASN A 10 -0.139 7.820 -5.585 1.00 0.00 C ATOM 142 C ASN A 10 -0.149 8.911 -4.512 1.00 0.00 C ATOM 143 O ASN A 10 -0.601 10.028 -4.761 1.00 0.00 O ATOM 144 CB ASN A 10 -1.469 7.886 -6.337 1.00 0.00 C ATOM 145 CG ASN A 10 -2.586 7.216 -5.536 1.00 0.00 C ATOM 146 OD1 ASN A 10 -2.645 7.293 -4.320 1.00 0.00 O ATOM 147 ND2 ASN A 10 -3.468 6.556 -6.283 1.00 0.00 N ATOM 0 H ASN A 10 -0.783 6.171 -4.464 1.00 0.00 H new ATOM 0 HA ASN A 10 0.680 7.967 -6.289 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -1.730 8.926 -6.531 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -1.368 7.397 -7.306 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -4.252 6.075 -5.841 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -3.360 6.531 -7.297 1.00 0.00 H new ATOM 154 N ASP A 11 0.356 8.549 -3.341 1.00 0.00 N ATOM 155 CA ASP A 11 0.410 9.484 -2.229 1.00 0.00 C ATOM 156 C ASP A 11 -0.955 10.154 -2.065 1.00 0.00 C ATOM 157 O ASP A 11 -1.052 11.380 -2.058 1.00 0.00 O ATOM 158 CB ASP A 11 1.448 10.579 -2.481 1.00 0.00 C ATOM 159 CG ASP A 11 2.655 10.148 -3.316 1.00 0.00 C ATOM 160 OD1 ASP A 11 2.421 9.497 -4.358 1.00 0.00 O ATOM 161 OD2 ASP A 11 3.784 10.477 -2.893 1.00 0.00 O ATOM 0 H ASP A 11 0.731 7.622 -3.138 1.00 0.00 H new ATOM 0 HA ASP A 11 0.684 8.927 -1.333 1.00 0.00 H new ATOM 0 HB2 ASP A 11 0.958 11.414 -2.982 1.00 0.00 H new ATOM 0 HB3 ASP A 11 1.804 10.949 -1.520 1.00 0.00 H new ATOM 166 N ASP A 12 -1.977 9.320 -1.935 1.00 0.00 N ATOM 167 CA ASP A 12 -3.332 9.817 -1.771 1.00 0.00 C ATOM 168 C ASP A 12 -3.902 9.304 -0.447 1.00 0.00 C ATOM 169 O ASP A 12 -4.423 10.082 0.351 1.00 0.00 O ATOM 170 CB ASP A 12 -4.240 9.324 -2.899 1.00 0.00 C ATOM 171 CG ASP A 12 -4.987 8.021 -2.604 1.00 0.00 C ATOM 172 OD1 ASP A 12 -4.322 6.963 -2.644 1.00 0.00 O ATOM 173 OD2 ASP A 12 -6.207 8.112 -2.346 1.00 0.00 O ATOM 0 H ASP A 12 -1.893 8.303 -1.940 1.00 0.00 H new ATOM 0 HA ASP A 12 -3.296 10.906 -1.787 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -4.970 10.101 -3.123 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -3.637 9.185 -3.796 1.00 0.00 H new ATOM 178 N GLY A 13 -3.783 7.998 -0.254 1.00 0.00 N ATOM 179 CA GLY A 13 -4.279 7.373 0.960 1.00 0.00 C ATOM 180 C GLY A 13 -3.292 6.326 1.480 1.00 0.00 C ATOM 181 O GLY A 13 -2.763 6.461 2.583 1.00 0.00 O ATOM 0 H GLY A 13 -3.350 7.356 -0.918 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -4.444 8.133 1.723 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -5.243 6.904 0.764 1.00 0.00 H new ATOM 185 N LYS A 14 -3.073 5.308 0.663 1.00 0.00 N ATOM 186 CA LYS A 14 -2.159 4.238 1.027 1.00 0.00 C ATOM 187 C LYS A 14 -2.021 3.269 -0.149 1.00 0.00 C ATOM 188 O LYS A 14 -2.831 3.288 -1.072 1.00 0.00 O ATOM 189 CB LYS A 14 -2.608 3.569 2.327 1.00 0.00 C ATOM 190 CG LYS A 14 -4.112 3.289 2.308 1.00 0.00 C ATOM 191 CD LYS A 14 -4.862 4.252 3.231 1.00 0.00 C ATOM 192 CE LYS A 14 -6.149 4.751 2.573 1.00 0.00 C ATOM 193 NZ LYS A 14 -6.850 5.703 3.463 1.00 0.00 N ATOM 0 H LYS A 14 -3.513 5.200 -0.251 1.00 0.00 H new ATOM 0 HA LYS A 14 -1.165 4.638 1.229 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -2.062 2.636 2.467 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -2.365 4.211 3.174 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -4.491 3.386 1.290 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -4.298 2.261 2.620 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -5.100 3.751 4.169 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -4.222 5.100 3.475 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -5.916 5.235 1.625 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -6.801 3.907 2.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -7.722 6.032 3.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -7.089 5.230 4.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -6.232 6.517 3.656 1.00 0.00 H new ATOM 207 N VAL A 15 -0.986 2.444 -0.075 1.00 0.00 N ATOM 208 CA VAL A 15 -0.731 1.468 -1.121 1.00 0.00 C ATOM 209 C VAL A 15 -1.636 0.252 -0.910 1.00 0.00 C ATOM 210 O VAL A 15 -1.265 -0.687 -0.207 1.00 0.00 O ATOM 211 CB VAL A 15 0.756 1.109 -1.151 1.00 0.00 C ATOM 212 CG1 VAL A 15 1.212 0.551 0.199 1.00 0.00 C ATOM 213 CG2 VAL A 15 1.059 0.126 -2.282 1.00 0.00 C ATOM 0 H VAL A 15 -0.315 2.432 0.693 1.00 0.00 H new ATOM 0 HA VAL A 15 -0.970 1.885 -2.099 1.00 0.00 H new ATOM 0 HB VAL A 15 1.318 2.023 -1.343 1.00 0.00 H new ATOM 0 HG11 VAL A 15 2.272 0.304 0.151 1.00 0.00 H new ATOM 0 HG12 VAL A 15 1.048 1.298 0.976 1.00 0.00 H new ATOM 0 HG13 VAL A 15 0.640 -0.347 0.433 1.00 0.00 H new ATOM 0 HG21 VAL A 15 2.123 -0.113 -2.281 1.00 0.00 H new ATOM 0 HG22 VAL A 15 0.482 -0.787 -2.135 1.00 0.00 H new ATOM 0 HG23 VAL A 15 0.789 0.576 -3.237 1.00 0.00 H new ATOM 223 N ASN A 16 -2.805 0.309 -1.532 1.00 0.00 N ATOM 224 CA ASN A 16 -3.764 -0.776 -1.421 1.00 0.00 C ATOM 225 C ASN A 16 -4.545 -0.896 -2.731 1.00 0.00 C ATOM 226 O ASN A 16 -4.242 -0.208 -3.704 1.00 0.00 O ATOM 227 CB ASN A 16 -4.767 -0.511 -0.295 1.00 0.00 C ATOM 228 CG ASN A 16 -5.410 0.869 -0.447 1.00 0.00 C ATOM 229 OD1 ASN A 16 -4.906 1.745 -1.130 1.00 0.00 O ATOM 230 ND2 ASN A 16 -6.548 1.012 0.226 1.00 0.00 N ATOM 0 H ASN A 16 -3.109 1.090 -2.114 1.00 0.00 H new ATOM 0 HA ASN A 16 -3.214 -1.692 -1.206 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -5.540 -1.279 -0.304 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -4.263 -0.577 0.669 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -7.055 1.897 0.189 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -6.914 0.237 0.779 1.00 0.00 H new ATOM 237 N SER A 17 -5.536 -1.776 -2.714 1.00 0.00 N ATOM 238 CA SER A 17 -6.363 -1.995 -3.888 1.00 0.00 C ATOM 239 C SER A 17 -6.794 -0.654 -4.482 1.00 0.00 C ATOM 240 O SER A 17 -6.834 -0.494 -5.702 1.00 0.00 O ATOM 241 CB SER A 17 -7.589 -2.845 -3.548 1.00 0.00 C ATOM 242 OG SER A 17 -8.234 -3.342 -4.717 1.00 0.00 O ATOM 0 H SER A 17 -5.784 -2.346 -1.905 1.00 0.00 H new ATOM 0 HA SER A 17 -5.772 -2.538 -4.626 1.00 0.00 H new ATOM 0 HB2 SER A 17 -7.287 -3.681 -2.917 1.00 0.00 H new ATOM 0 HB3 SER A 17 -8.295 -2.248 -2.970 1.00 0.00 H new ATOM 0 HG SER A 17 -9.011 -3.881 -4.458 1.00 0.00 H new ATOM 248 N THR A 18 -7.107 0.277 -3.593 1.00 0.00 N ATOM 249 CA THR A 18 -7.535 1.601 -4.015 1.00 0.00 C ATOM 250 C THR A 18 -6.506 2.217 -4.965 1.00 0.00 C ATOM 251 O THR A 18 -6.844 3.070 -5.783 1.00 0.00 O ATOM 252 CB THR A 18 -7.780 2.440 -2.759 1.00 0.00 C ATOM 253 OG1 THR A 18 -9.152 2.209 -2.450 1.00 0.00 O ATOM 254 CG2 THR A 18 -7.709 3.944 -3.036 1.00 0.00 C ATOM 0 H THR A 18 -7.073 0.141 -2.583 1.00 0.00 H new ATOM 0 HA THR A 18 -8.466 1.554 -4.580 1.00 0.00 H new ATOM 0 HB THR A 18 -7.046 2.176 -1.997 1.00 0.00 H new ATOM 0 HG1 THR A 18 -9.396 2.714 -1.647 1.00 0.00 H new ATOM 0 HG21 THR A 18 -7.890 4.493 -2.112 1.00 0.00 H new ATOM 0 HG22 THR A 18 -6.721 4.197 -3.421 1.00 0.00 H new ATOM 0 HG23 THR A 18 -8.465 4.214 -3.773 1.00 0.00 H new ATOM 262 N ASP A 19 -5.270 1.758 -4.826 1.00 0.00 N ATOM 263 CA ASP A 19 -4.190 2.253 -5.661 1.00 0.00 C ATOM 264 C ASP A 19 -3.748 1.149 -6.623 1.00 0.00 C ATOM 265 O ASP A 19 -2.629 1.176 -7.134 1.00 0.00 O ATOM 266 CB ASP A 19 -2.980 2.656 -4.816 1.00 0.00 C ATOM 267 CG ASP A 19 -3.152 3.949 -4.015 1.00 0.00 C ATOM 268 OD1 ASP A 19 -4.014 3.945 -3.110 1.00 0.00 O ATOM 269 OD2 ASP A 19 -2.418 4.911 -4.326 1.00 0.00 O ATOM 0 H ASP A 19 -4.994 1.049 -4.147 1.00 0.00 H new ATOM 0 HA ASP A 19 -4.556 3.124 -6.204 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -2.753 1.845 -4.124 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -2.117 2.765 -5.473 1.00 0.00 H new ATOM 274 N ALA A 20 -4.649 0.202 -6.841 1.00 0.00 N ATOM 275 CA ALA A 20 -4.366 -0.910 -7.732 1.00 0.00 C ATOM 276 C ALA A 20 -4.064 -0.372 -9.133 1.00 0.00 C ATOM 277 O ALA A 20 -3.444 -1.056 -9.944 1.00 0.00 O ATOM 278 CB ALA A 20 -5.546 -1.884 -7.724 1.00 0.00 C ATOM 0 H ALA A 20 -5.576 0.182 -6.416 1.00 0.00 H new ATOM 0 HA ALA A 20 -3.487 -1.459 -7.393 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -5.334 -2.718 -8.393 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -5.701 -2.260 -6.713 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -6.445 -1.369 -8.061 1.00 0.00 H new ATOM 284 N VAL A 21 -4.517 0.850 -9.372 1.00 0.00 N ATOM 285 CA VAL A 21 -4.304 1.488 -10.661 1.00 0.00 C ATOM 286 C VAL A 21 -2.802 1.561 -10.945 1.00 0.00 C ATOM 287 O VAL A 21 -2.329 1.019 -11.942 1.00 0.00 O ATOM 288 CB VAL A 21 -4.984 2.859 -10.685 1.00 0.00 C ATOM 289 CG1 VAL A 21 -4.515 3.681 -11.886 1.00 0.00 C ATOM 290 CG2 VAL A 21 -6.507 2.714 -10.680 1.00 0.00 C ATOM 0 H VAL A 21 -5.030 1.415 -8.696 1.00 0.00 H new ATOM 0 HA VAL A 21 -4.759 0.901 -11.459 1.00 0.00 H new ATOM 0 HB VAL A 21 -4.695 3.394 -9.780 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -5.013 4.651 -11.880 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -3.436 3.827 -11.828 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.761 3.153 -12.807 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -6.967 3.702 -10.697 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -6.822 2.152 -11.559 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -6.819 2.184 -9.780 1.00 0.00 H new ATOM 300 N ALA A 22 -2.094 2.237 -10.051 1.00 0.00 N ATOM 301 CA ALA A 22 -0.657 2.389 -10.194 1.00 0.00 C ATOM 302 C ALA A 22 0.019 1.036 -9.965 1.00 0.00 C ATOM 303 O ALA A 22 0.832 0.597 -10.778 1.00 0.00 O ATOM 304 CB ALA A 22 -0.157 3.462 -9.224 1.00 0.00 C ATOM 0 H ALA A 22 -2.490 2.685 -9.225 1.00 0.00 H new ATOM 0 HA ALA A 22 -0.404 2.718 -11.202 1.00 0.00 H new ATOM 0 HB1 ALA A 22 0.922 3.576 -9.332 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -0.646 4.410 -9.447 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -0.390 3.165 -8.201 1.00 0.00 H new ATOM 310 N LEU A 23 -0.340 0.411 -8.853 1.00 0.00 N ATOM 311 CA LEU A 23 0.221 -0.882 -8.505 1.00 0.00 C ATOM 312 C LEU A 23 0.162 -1.804 -9.725 1.00 0.00 C ATOM 313 O LEU A 23 1.185 -2.329 -10.162 1.00 0.00 O ATOM 314 CB LEU A 23 -0.475 -1.455 -7.269 1.00 0.00 C ATOM 315 CG LEU A 23 -0.485 -2.980 -7.151 1.00 0.00 C ATOM 316 CD1 LEU A 23 0.880 -3.505 -6.700 1.00 0.00 C ATOM 317 CD2 LEU A 23 -1.613 -3.451 -6.229 1.00 0.00 C ATOM 0 H LEU A 23 -1.014 0.778 -8.181 1.00 0.00 H new ATOM 0 HA LEU A 23 1.271 -0.779 -8.232 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.008 -1.045 -6.382 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.507 -1.103 -7.262 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.680 -3.397 -8.139 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.845 -4.592 -6.624 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.639 -3.216 -7.427 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.129 -3.081 -5.727 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.598 -4.539 -6.162 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.473 -3.025 -5.236 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.572 -3.125 -6.632 1.00 0.00 H new ATOM 329 N LYS A 24 -1.048 -1.972 -10.242 1.00 0.00 N ATOM 330 CA LYS A 24 -1.253 -2.820 -11.403 1.00 0.00 C ATOM 331 C LYS A 24 -0.158 -2.542 -12.434 1.00 0.00 C ATOM 332 O LYS A 24 0.442 -3.471 -12.974 1.00 0.00 O ATOM 333 CB LYS A 24 -2.671 -2.643 -11.951 1.00 0.00 C ATOM 334 CG LYS A 24 -2.858 -3.424 -13.253 1.00 0.00 C ATOM 335 CD LYS A 24 -4.338 -3.717 -13.510 1.00 0.00 C ATOM 336 CE LYS A 24 -4.828 -2.997 -14.768 1.00 0.00 C ATOM 337 NZ LYS A 24 -6.152 -3.515 -15.179 1.00 0.00 N ATOM 0 H LYS A 24 -1.895 -1.535 -9.878 1.00 0.00 H new ATOM 0 HA LYS A 24 -1.170 -3.871 -11.126 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -3.396 -2.984 -11.211 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -2.868 -1.585 -12.126 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -2.447 -2.853 -14.086 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -2.302 -4.360 -13.203 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -4.486 -4.791 -13.620 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -4.930 -3.400 -12.651 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -4.893 -1.925 -14.579 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -4.110 -3.135 -15.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -6.470 -3.016 -16.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -6.080 -4.533 -15.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -6.838 -3.361 -14.413 1.00 0.00 H new ATOM 351 N ARG A 25 0.072 -1.259 -12.676 1.00 0.00 N ATOM 352 CA ARG A 25 1.085 -0.847 -13.631 1.00 0.00 C ATOM 353 C ARG A 25 2.478 -1.223 -13.122 1.00 0.00 C ATOM 354 O ARG A 25 3.359 -1.567 -13.910 1.00 0.00 O ATOM 355 CB ARG A 25 1.029 0.662 -13.878 1.00 0.00 C ATOM 356 CG ARG A 25 0.153 0.987 -15.089 1.00 0.00 C ATOM 357 CD ARG A 25 -1.241 1.442 -14.652 1.00 0.00 C ATOM 358 NE ARG A 25 -2.048 1.811 -15.836 1.00 0.00 N ATOM 359 CZ ARG A 25 -1.859 2.926 -16.555 1.00 0.00 C ATOM 360 NH1 ARG A 25 -0.891 3.787 -16.215 1.00 0.00 N ATOM 361 NH2 ARG A 25 -2.639 3.180 -17.615 1.00 0.00 N ATOM 0 H ARG A 25 -0.427 -0.491 -12.226 1.00 0.00 H new ATOM 0 HA ARG A 25 0.886 -1.364 -14.570 1.00 0.00 H new ATOM 0 HB2 ARG A 25 0.635 1.164 -12.994 1.00 0.00 H new ATOM 0 HB3 ARG A 25 2.036 1.045 -14.040 1.00 0.00 H new ATOM 0 HG2 ARG A 25 0.625 1.769 -15.684 1.00 0.00 H new ATOM 0 HG3 ARG A 25 0.069 0.108 -15.728 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -1.736 0.644 -14.099 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -1.159 2.294 -13.977 1.00 0.00 H new ATOM 0 HE ARG A 25 -2.794 1.178 -16.123 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -0.297 3.594 -15.408 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -0.748 4.635 -16.763 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -3.376 2.525 -17.874 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -2.495 4.029 -18.162 1.00 0.00 H new ATOM 375 N TYR A 26 2.636 -1.142 -11.810 1.00 0.00 N ATOM 376 CA TYR A 26 3.907 -1.468 -11.186 1.00 0.00 C ATOM 377 C TYR A 26 4.172 -2.975 -11.236 1.00 0.00 C ATOM 378 O TYR A 26 5.288 -3.404 -11.520 1.00 0.00 O ATOM 379 CB TYR A 26 3.785 -1.031 -9.725 1.00 0.00 C ATOM 380 CG TYR A 26 5.112 -1.030 -8.964 1.00 0.00 C ATOM 381 CD1 TYR A 26 5.744 -2.222 -8.675 1.00 0.00 C ATOM 382 CD2 TYR A 26 5.677 0.165 -8.566 1.00 0.00 C ATOM 383 CE1 TYR A 26 6.993 -2.220 -7.958 1.00 0.00 C ATOM 384 CE2 TYR A 26 6.927 0.166 -7.848 1.00 0.00 C ATOM 385 CZ TYR A 26 7.522 -1.026 -7.580 1.00 0.00 C ATOM 386 OH TYR A 26 8.702 -1.023 -6.903 1.00 0.00 O ATOM 0 H TYR A 26 1.904 -0.855 -11.160 1.00 0.00 H new ATOM 0 HA TYR A 26 4.727 -0.970 -11.703 1.00 0.00 H new ATOM 0 HB2 TYR A 26 3.357 -0.029 -9.690 1.00 0.00 H new ATOM 0 HB3 TYR A 26 3.086 -1.694 -9.215 1.00 0.00 H new ATOM 0 HD1 TYR A 26 5.302 -3.157 -8.987 1.00 0.00 H new ATOM 0 HD2 TYR A 26 5.183 1.098 -8.792 1.00 0.00 H new ATOM 0 HE1 TYR A 26 7.498 -3.146 -7.726 1.00 0.00 H new ATOM 0 HE2 TYR A 26 7.380 1.093 -7.530 1.00 0.00 H new ATOM 0 HH TYR A 26 9.370 -0.519 -7.412 1.00 0.00 H new ATOM 396 N VAL A 27 3.123 -3.736 -10.954 1.00 0.00 N ATOM 397 CA VAL A 27 3.229 -5.186 -10.963 1.00 0.00 C ATOM 398 C VAL A 27 3.467 -5.667 -12.396 1.00 0.00 C ATOM 399 O VAL A 27 4.235 -6.601 -12.620 1.00 0.00 O ATOM 400 CB VAL A 27 1.984 -5.804 -10.324 1.00 0.00 C ATOM 401 CG1 VAL A 27 2.105 -7.327 -10.249 1.00 0.00 C ATOM 402 CG2 VAL A 27 1.723 -5.206 -8.940 1.00 0.00 C ATOM 0 H VAL A 27 2.198 -3.376 -10.718 1.00 0.00 H new ATOM 0 HA VAL A 27 4.081 -5.511 -10.366 1.00 0.00 H new ATOM 0 HB VAL A 27 1.130 -5.566 -10.958 1.00 0.00 H new ATOM 0 HG11 VAL A 27 1.207 -7.741 -9.791 1.00 0.00 H new ATOM 0 HG12 VAL A 27 2.220 -7.733 -11.254 1.00 0.00 H new ATOM 0 HG13 VAL A 27 2.975 -7.594 -9.649 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.832 -5.663 -8.508 1.00 0.00 H new ATOM 0 HG22 VAL A 27 2.579 -5.398 -8.293 1.00 0.00 H new ATOM 0 HG23 VAL A 27 1.571 -4.130 -9.031 1.00 0.00 H new ATOM 412 N LEU A 28 2.794 -5.007 -13.328 1.00 0.00 N ATOM 413 CA LEU A 28 2.924 -5.356 -14.732 1.00 0.00 C ATOM 414 C LEU A 28 4.352 -5.061 -15.197 1.00 0.00 C ATOM 415 O LEU A 28 4.936 -5.839 -15.949 1.00 0.00 O ATOM 416 CB LEU A 28 1.849 -4.649 -15.561 1.00 0.00 C ATOM 417 CG LEU A 28 0.430 -5.207 -15.433 1.00 0.00 C ATOM 418 CD1 LEU A 28 -0.583 -4.285 -16.115 1.00 0.00 C ATOM 419 CD2 LEU A 28 0.353 -6.637 -15.967 1.00 0.00 C ATOM 0 H LEU A 28 2.158 -4.233 -13.138 1.00 0.00 H new ATOM 0 HA LEU A 28 2.756 -6.423 -14.876 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.832 -3.597 -15.276 1.00 0.00 H new ATOM 0 HB3 LEU A 28 2.141 -4.690 -16.610 1.00 0.00 H new ATOM 0 HG LEU A 28 0.171 -5.245 -14.375 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.584 -4.703 -16.010 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.551 -3.300 -15.648 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -0.337 -4.193 -17.173 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.666 -7.009 -15.864 1.00 0.00 H new ATOM 0 HD22 LEU A 28 0.639 -6.649 -17.019 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.031 -7.274 -15.400 1.00 0.00 H new ATOM 431 N ARG A 29 4.871 -3.936 -14.729 1.00 0.00 N ATOM 432 CA ARG A 29 6.220 -3.529 -15.088 1.00 0.00 C ATOM 433 C ARG A 29 6.704 -2.417 -14.156 1.00 0.00 C ATOM 434 O ARG A 29 5.899 -1.757 -13.500 1.00 0.00 O ATOM 435 CB ARG A 29 6.280 -3.035 -16.534 1.00 0.00 C ATOM 436 CG ARG A 29 5.622 -1.661 -16.673 1.00 0.00 C ATOM 437 CD ARG A 29 4.097 -1.782 -16.695 1.00 0.00 C ATOM 438 NE ARG A 29 3.591 -1.553 -18.066 1.00 0.00 N ATOM 439 CZ ARG A 29 3.368 -2.530 -18.957 1.00 0.00 C ATOM 440 NH1 ARG A 29 3.607 -3.806 -18.626 1.00 0.00 N ATOM 441 NH2 ARG A 29 2.909 -2.229 -20.179 1.00 0.00 N ATOM 0 H ARG A 29 4.383 -3.294 -14.105 1.00 0.00 H new ATOM 0 HA ARG A 29 6.867 -4.400 -14.987 1.00 0.00 H new ATOM 0 HB2 ARG A 29 7.319 -2.979 -16.860 1.00 0.00 H new ATOM 0 HB3 ARG A 29 5.779 -3.750 -17.187 1.00 0.00 H new ATOM 0 HG2 ARG A 29 5.928 -1.022 -15.844 1.00 0.00 H new ATOM 0 HG3 ARG A 29 5.965 -1.181 -17.589 1.00 0.00 H new ATOM 0 HD2 ARG A 29 3.797 -2.771 -16.348 1.00 0.00 H new ATOM 0 HD3 ARG A 29 3.657 -1.057 -16.010 1.00 0.00 H new ATOM 0 HE ARG A 29 3.400 -0.593 -18.351 1.00 0.00 H new ATOM 0 HH11 ARG A 29 3.959 -4.034 -17.696 1.00 0.00 H new ATOM 0 HH12 ARG A 29 3.437 -4.549 -19.304 1.00 0.00 H new ATOM 0 HH21 ARG A 29 2.729 -1.257 -20.431 1.00 0.00 H new ATOM 0 HH22 ARG A 29 2.739 -2.972 -20.857 1.00 0.00 H new ATOM 455 N SER A 30 8.017 -2.242 -14.127 1.00 0.00 N ATOM 456 CA SER A 30 8.617 -1.220 -13.287 1.00 0.00 C ATOM 457 C SER A 30 8.747 0.090 -14.066 1.00 0.00 C ATOM 458 O SER A 30 9.846 0.478 -14.457 1.00 0.00 O ATOM 459 CB SER A 30 9.987 -1.667 -12.770 1.00 0.00 C ATOM 460 OG SER A 30 10.163 -1.360 -11.390 1.00 0.00 O ATOM 0 H SER A 30 8.682 -2.791 -14.672 1.00 0.00 H new ATOM 0 HA SER A 30 7.967 -1.060 -12.427 1.00 0.00 H new ATOM 0 HB2 SER A 30 10.098 -2.741 -12.919 1.00 0.00 H new ATOM 0 HB3 SER A 30 10.770 -1.181 -13.352 1.00 0.00 H new ATOM 0 HG SER A 30 11.048 -1.662 -11.098 1.00 0.00 H new ATOM 466 N GLY A 31 7.608 0.736 -14.269 1.00 0.00 N ATOM 467 CA GLY A 31 7.579 1.993 -14.994 1.00 0.00 C ATOM 468 C GLY A 31 6.993 3.112 -14.130 1.00 0.00 C ATOM 469 O GLY A 31 7.623 4.152 -13.943 1.00 0.00 O ATOM 0 H GLY A 31 6.698 0.411 -13.943 1.00 0.00 H new ATOM 0 HA2 GLY A 31 8.589 2.260 -15.306 1.00 0.00 H new ATOM 0 HA3 GLY A 31 6.985 1.880 -15.901 1.00 0.00 H new ATOM 473 N ILE A 32 5.793 2.860 -13.627 1.00 0.00 N ATOM 474 CA ILE A 32 5.115 3.833 -12.787 1.00 0.00 C ATOM 475 C ILE A 32 5.969 4.115 -11.549 1.00 0.00 C ATOM 476 O ILE A 32 6.770 3.277 -11.139 1.00 0.00 O ATOM 477 CB ILE A 32 3.696 3.363 -12.461 1.00 0.00 C ATOM 478 CG1 ILE A 32 2.879 4.487 -11.823 1.00 0.00 C ATOM 479 CG2 ILE A 32 3.722 2.106 -11.589 1.00 0.00 C ATOM 480 CD1 ILE A 32 2.977 4.438 -10.296 1.00 0.00 C ATOM 0 H ILE A 32 5.273 1.997 -13.785 1.00 0.00 H new ATOM 0 HA ILE A 32 4.999 4.778 -13.317 1.00 0.00 H new ATOM 0 HB ILE A 32 3.201 3.097 -13.395 1.00 0.00 H new ATOM 0 HG12 ILE A 32 3.237 5.451 -12.183 1.00 0.00 H new ATOM 0 HG13 ILE A 32 1.836 4.401 -12.127 1.00 0.00 H new ATOM 0 HG21 ILE A 32 2.701 1.793 -11.372 1.00 0.00 H new ATOM 0 HG22 ILE A 32 4.242 1.307 -12.118 1.00 0.00 H new ATOM 0 HG23 ILE A 32 4.242 2.321 -10.655 1.00 0.00 H new ATOM 0 HD11 ILE A 32 2.387 5.248 -9.867 1.00 0.00 H new ATOM 0 HD12 ILE A 32 2.595 3.482 -9.937 1.00 0.00 H new ATOM 0 HD13 ILE A 32 4.019 4.549 -9.995 1.00 0.00 H new ATOM 492 N SER A 33 5.769 5.299 -10.990 1.00 0.00 N ATOM 493 CA SER A 33 6.510 5.702 -9.806 1.00 0.00 C ATOM 494 C SER A 33 5.592 5.690 -8.583 1.00 0.00 C ATOM 495 O SER A 33 4.526 6.303 -8.597 1.00 0.00 O ATOM 496 CB SER A 33 7.131 7.089 -9.991 1.00 0.00 C ATOM 497 OG SER A 33 8.552 7.054 -9.902 1.00 0.00 O ATOM 0 H SER A 33 5.105 5.992 -11.334 1.00 0.00 H new ATOM 0 HA SER A 33 7.319 4.989 -9.650 1.00 0.00 H new ATOM 0 HB2 SER A 33 6.838 7.491 -10.961 1.00 0.00 H new ATOM 0 HB3 SER A 33 6.737 7.767 -9.234 1.00 0.00 H new ATOM 0 HG SER A 33 8.910 7.958 -10.027 1.00 0.00 H new ATOM 503 N ILE A 34 6.039 4.985 -7.554 1.00 0.00 N ATOM 504 CA ILE A 34 5.269 4.885 -6.325 1.00 0.00 C ATOM 505 C ILE A 34 6.219 4.964 -5.127 1.00 0.00 C ATOM 506 O ILE A 34 7.436 4.899 -5.290 1.00 0.00 O ATOM 507 CB ILE A 34 4.399 3.626 -6.339 1.00 0.00 C ATOM 508 CG1 ILE A 34 5.254 2.367 -6.188 1.00 0.00 C ATOM 509 CG2 ILE A 34 3.524 3.579 -7.593 1.00 0.00 C ATOM 510 CD1 ILE A 34 4.425 1.203 -5.642 1.00 0.00 C ATOM 0 H ILE A 34 6.924 4.478 -7.546 1.00 0.00 H new ATOM 0 HA ILE A 34 4.576 5.722 -6.239 1.00 0.00 H new ATOM 0 HB ILE A 34 3.729 3.664 -5.480 1.00 0.00 H new ATOM 0 HG12 ILE A 34 5.679 2.094 -7.154 1.00 0.00 H new ATOM 0 HG13 ILE A 34 6.090 2.569 -5.518 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.916 2.675 -7.578 1.00 0.00 H new ATOM 0 HG22 ILE A 34 2.874 4.453 -7.616 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.158 3.575 -8.479 1.00 0.00 H new ATOM 0 HD11 ILE A 34 5.057 0.320 -5.544 1.00 0.00 H new ATOM 0 HD12 ILE A 34 4.022 1.470 -4.665 1.00 0.00 H new ATOM 0 HD13 ILE A 34 3.605 0.988 -6.327 1.00 0.00 H new ATOM 522 N ASN A 35 5.625 5.101 -3.951 1.00 0.00 N ATOM 523 CA ASN A 35 6.401 5.190 -2.727 1.00 0.00 C ATOM 524 C ASN A 35 6.673 3.780 -2.197 1.00 0.00 C ATOM 525 O ASN A 35 6.487 3.513 -1.011 1.00 0.00 O ATOM 526 CB ASN A 35 5.641 5.962 -1.646 1.00 0.00 C ATOM 527 CG ASN A 35 5.017 7.236 -2.219 1.00 0.00 C ATOM 528 OD1 ASN A 35 3.884 7.598 -1.624 1.00 0.00 O flip ATOM 529 ND2 ASN A 35 5.530 7.848 -3.141 1.00 0.00 N flip ATOM 0 H ASN A 35 4.615 5.153 -3.820 1.00 0.00 H new ATOM 0 HA ASN A 35 7.331 5.711 -2.955 1.00 0.00 H new ATOM 0 HB2 ASN A 35 4.861 5.329 -1.223 1.00 0.00 H new ATOM 0 HB3 ASN A 35 6.319 6.219 -0.833 1.00 0.00 H new ATOM 0 HD21 ASN A 35 6.402 7.514 -3.552 1.00 0.00 H new ATOM 0 HD22 ASN A 35 5.087 8.694 -3.501 1.00 0.00 H new ATOM 536 N THR A 36 7.109 2.917 -3.102 1.00 0.00 N ATOM 537 CA THR A 36 7.408 1.542 -2.741 1.00 0.00 C ATOM 538 C THR A 36 8.550 1.494 -1.725 1.00 0.00 C ATOM 539 O THR A 36 8.849 0.436 -1.172 1.00 0.00 O ATOM 540 CB THR A 36 7.708 0.770 -4.028 1.00 0.00 C ATOM 541 OG1 THR A 36 7.779 -0.590 -3.609 1.00 0.00 O ATOM 542 CG2 THR A 36 9.106 1.064 -4.576 1.00 0.00 C ATOM 0 H THR A 36 7.262 3.143 -4.085 1.00 0.00 H new ATOM 0 HA THR A 36 6.558 1.068 -2.251 1.00 0.00 H new ATOM 0 HB THR A 36 6.962 1.021 -4.783 1.00 0.00 H new ATOM 0 HG1 THR A 36 6.873 -0.937 -3.470 1.00 0.00 H new ATOM 0 HG21 THR A 36 9.267 0.491 -5.489 1.00 0.00 H new ATOM 0 HG22 THR A 36 9.195 2.128 -4.795 1.00 0.00 H new ATOM 0 HG23 THR A 36 9.854 0.783 -3.835 1.00 0.00 H new ATOM 550 N ASP A 37 9.157 2.651 -1.509 1.00 0.00 N ATOM 551 CA ASP A 37 10.259 2.754 -0.568 1.00 0.00 C ATOM 552 C ASP A 37 9.763 2.391 0.833 1.00 0.00 C ATOM 553 O ASP A 37 10.420 1.639 1.553 1.00 0.00 O ATOM 554 CB ASP A 37 10.810 4.181 -0.519 1.00 0.00 C ATOM 555 CG ASP A 37 12.188 4.364 -1.158 1.00 0.00 C ATOM 556 OD1 ASP A 37 12.630 3.412 -1.836 1.00 0.00 O ATOM 557 OD2 ASP A 37 12.768 5.452 -0.954 1.00 0.00 O ATOM 0 H ASP A 37 8.907 3.526 -1.970 1.00 0.00 H new ATOM 0 HA ASP A 37 11.046 2.074 -0.895 1.00 0.00 H new ATOM 0 HB2 ASP A 37 10.104 4.845 -1.018 1.00 0.00 H new ATOM 0 HB3 ASP A 37 10.864 4.498 0.522 1.00 0.00 H new ATOM 562 N ASN A 38 8.610 2.942 1.180 1.00 0.00 N ATOM 563 CA ASN A 38 8.018 2.686 2.483 1.00 0.00 C ATOM 564 C ASN A 38 6.632 2.066 2.295 1.00 0.00 C ATOM 565 O ASN A 38 5.724 2.318 3.086 1.00 0.00 O ATOM 566 CB ASN A 38 7.853 3.982 3.277 1.00 0.00 C ATOM 567 CG ASN A 38 7.765 5.191 2.343 1.00 0.00 C ATOM 568 OD1 ASN A 38 8.602 5.405 1.481 1.00 0.00 O ATOM 569 ND2 ASN A 38 6.707 5.967 2.560 1.00 0.00 N ATOM 0 H ASN A 38 8.069 3.566 0.581 1.00 0.00 H new ATOM 0 HA ASN A 38 8.679 2.012 3.028 1.00 0.00 H new ATOM 0 HB2 ASN A 38 6.953 3.925 3.890 1.00 0.00 H new ATOM 0 HB3 ASN A 38 8.695 4.105 3.958 1.00 0.00 H new ATOM 0 HD21 ASN A 38 6.558 6.798 1.988 1.00 0.00 H new ATOM 0 HD22 ASN A 38 6.044 5.731 3.298 1.00 0.00 H new ATOM 576 N ALA A 39 6.513 1.267 1.245 1.00 0.00 N ATOM 577 CA ALA A 39 5.253 0.609 0.944 1.00 0.00 C ATOM 578 C ALA A 39 5.348 -0.868 1.333 1.00 0.00 C ATOM 579 O ALA A 39 4.771 -1.287 2.335 1.00 0.00 O ATOM 580 CB ALA A 39 4.917 0.802 -0.537 1.00 0.00 C ATOM 0 H ALA A 39 7.269 1.060 0.592 1.00 0.00 H new ATOM 0 HA ALA A 39 4.442 1.051 1.523 1.00 0.00 H new ATOM 0 HB1 ALA A 39 3.972 0.308 -0.763 1.00 0.00 H new ATOM 0 HB2 ALA A 39 4.832 1.867 -0.755 1.00 0.00 H new ATOM 0 HB3 ALA A 39 5.708 0.369 -1.149 1.00 0.00 H new ATOM 586 N ASP A 40 6.080 -1.614 0.520 1.00 0.00 N ATOM 587 CA ASP A 40 6.258 -3.035 0.765 1.00 0.00 C ATOM 588 C ASP A 40 7.109 -3.228 2.023 1.00 0.00 C ATOM 589 O ASP A 40 8.201 -2.671 2.128 1.00 0.00 O ATOM 590 CB ASP A 40 6.979 -3.711 -0.402 1.00 0.00 C ATOM 591 CG ASP A 40 7.909 -4.861 -0.010 1.00 0.00 C ATOM 592 OD1 ASP A 40 7.369 -5.936 0.332 1.00 0.00 O ATOM 593 OD2 ASP A 40 9.138 -4.640 -0.061 1.00 0.00 O ATOM 0 H ASP A 40 6.557 -1.261 -0.310 1.00 0.00 H new ATOM 0 HA ASP A 40 5.271 -3.482 0.885 1.00 0.00 H new ATOM 0 HB2 ASP A 40 6.232 -4.090 -1.100 1.00 0.00 H new ATOM 0 HB3 ASP A 40 7.561 -2.959 -0.934 1.00 0.00 H new ATOM 598 N LEU A 41 6.577 -4.018 2.944 1.00 0.00 N ATOM 599 CA LEU A 41 7.274 -4.292 4.188 1.00 0.00 C ATOM 600 C LEU A 41 7.425 -5.804 4.363 1.00 0.00 C ATOM 601 O LEU A 41 7.720 -6.280 5.458 1.00 0.00 O ATOM 602 CB LEU A 41 6.570 -3.605 5.360 1.00 0.00 C ATOM 603 CG LEU A 41 7.043 -2.188 5.690 1.00 0.00 C ATOM 604 CD1 LEU A 41 7.247 -1.366 4.415 1.00 0.00 C ATOM 605 CD2 LEU A 41 6.084 -1.502 6.666 1.00 0.00 C ATOM 0 H LEU A 41 5.671 -4.477 2.853 1.00 0.00 H new ATOM 0 HA LEU A 41 8.280 -3.873 4.160 1.00 0.00 H new ATOM 0 HB2 LEU A 41 5.502 -3.569 5.146 1.00 0.00 H new ATOM 0 HB3 LEU A 41 6.697 -4.225 6.248 1.00 0.00 H new ATOM 0 HG LEU A 41 8.011 -2.259 6.186 1.00 0.00 H new ATOM 0 HD11 LEU A 41 7.583 -0.363 4.679 1.00 0.00 H new ATOM 0 HD12 LEU A 41 7.998 -1.847 3.788 1.00 0.00 H new ATOM 0 HD13 LEU A 41 6.306 -1.301 3.869 1.00 0.00 H new ATOM 0 HD21 LEU A 41 6.444 -0.496 6.884 1.00 0.00 H new ATOM 0 HD22 LEU A 41 5.091 -1.443 6.220 1.00 0.00 H new ATOM 0 HD23 LEU A 41 6.033 -2.077 7.591 1.00 0.00 H new ATOM 617 N ASN A 42 7.215 -6.518 3.266 1.00 0.00 N ATOM 618 CA ASN A 42 7.323 -7.966 3.284 1.00 0.00 C ATOM 619 C ASN A 42 8.323 -8.412 2.215 1.00 0.00 C ATOM 620 O ASN A 42 8.568 -9.606 2.049 1.00 0.00 O ATOM 621 CB ASN A 42 5.977 -8.623 2.975 1.00 0.00 C ATOM 622 CG ASN A 42 4.861 -7.579 2.900 1.00 0.00 C ATOM 623 OD1 ASN A 42 4.959 -6.577 2.212 1.00 0.00 O ATOM 624 ND2 ASN A 42 3.799 -7.867 3.647 1.00 0.00 N ATOM 0 H ASN A 42 6.971 -6.120 2.359 1.00 0.00 H new ATOM 0 HA ASN A 42 7.651 -8.267 4.279 1.00 0.00 H new ATOM 0 HB2 ASN A 42 6.040 -9.162 2.030 1.00 0.00 H new ATOM 0 HB3 ASN A 42 5.742 -9.357 3.745 1.00 0.00 H new ATOM 0 HD21 ASN A 42 3.002 -7.231 3.667 1.00 0.00 H new ATOM 0 HD22 ASN A 42 3.782 -8.724 4.200 1.00 0.00 H new ATOM 631 N GLU A 43 8.875 -7.429 1.520 1.00 0.00 N ATOM 632 CA GLU A 43 9.843 -7.704 0.472 1.00 0.00 C ATOM 633 C GLU A 43 9.160 -8.386 -0.715 1.00 0.00 C ATOM 634 O GLU A 43 9.666 -9.375 -1.242 1.00 0.00 O ATOM 635 CB GLU A 43 10.998 -8.556 1.003 1.00 0.00 C ATOM 636 CG GLU A 43 12.346 -8.007 0.532 1.00 0.00 C ATOM 637 CD GLU A 43 13.480 -8.982 0.856 1.00 0.00 C ATOM 638 OE1 GLU A 43 13.906 -8.986 2.032 1.00 0.00 O ATOM 639 OE2 GLU A 43 13.894 -9.702 -0.078 1.00 0.00 O ATOM 0 H GLU A 43 8.670 -6.440 1.662 1.00 0.00 H new ATOM 0 HA GLU A 43 10.260 -6.756 0.131 1.00 0.00 H new ATOM 0 HB2 GLU A 43 10.970 -8.575 2.092 1.00 0.00 H new ATOM 0 HB3 GLU A 43 10.882 -9.585 0.663 1.00 0.00 H new ATOM 0 HG2 GLU A 43 12.313 -7.826 -0.542 1.00 0.00 H new ATOM 0 HG3 GLU A 43 12.539 -7.047 1.011 1.00 0.00 H new ATOM 646 N ASP A 44 8.022 -7.828 -1.102 1.00 0.00 N ATOM 647 CA ASP A 44 7.265 -8.370 -2.217 1.00 0.00 C ATOM 648 C ASP A 44 7.234 -7.345 -3.353 1.00 0.00 C ATOM 649 O ASP A 44 7.292 -7.711 -4.525 1.00 0.00 O ATOM 650 CB ASP A 44 5.820 -8.668 -1.810 1.00 0.00 C ATOM 651 CG ASP A 44 5.620 -8.993 -0.329 1.00 0.00 C ATOM 652 OD1 ASP A 44 6.033 -10.104 0.069 1.00 0.00 O ATOM 653 OD2 ASP A 44 5.060 -8.123 0.373 1.00 0.00 O ATOM 0 H ASP A 44 7.606 -7.006 -0.663 1.00 0.00 H new ATOM 0 HA ASP A 44 7.748 -9.294 -2.534 1.00 0.00 H new ATOM 0 HB2 ASP A 44 5.202 -7.807 -2.064 1.00 0.00 H new ATOM 0 HB3 ASP A 44 5.457 -9.507 -2.403 1.00 0.00 H new ATOM 658 N GLY A 45 7.143 -6.082 -2.964 1.00 0.00 N ATOM 659 CA GLY A 45 7.105 -5.001 -3.935 1.00 0.00 C ATOM 660 C GLY A 45 6.263 -3.831 -3.420 1.00 0.00 C ATOM 661 O GLY A 45 6.802 -2.788 -3.056 1.00 0.00 O ATOM 0 H GLY A 45 7.094 -5.783 -1.990 1.00 0.00 H new ATOM 0 HA2 GLY A 45 8.119 -4.660 -4.145 1.00 0.00 H new ATOM 0 HA3 GLY A 45 6.691 -5.366 -4.875 1.00 0.00 H new ATOM 665 N ARG A 46 4.955 -4.045 -3.406 1.00 0.00 N ATOM 666 CA ARG A 46 4.034 -3.022 -2.942 1.00 0.00 C ATOM 667 C ARG A 46 2.835 -3.665 -2.243 1.00 0.00 C ATOM 668 O ARG A 46 2.623 -3.460 -1.049 1.00 0.00 O ATOM 669 CB ARG A 46 3.537 -2.160 -4.103 1.00 0.00 C ATOM 670 CG ARG A 46 4.549 -2.152 -5.252 1.00 0.00 C ATOM 671 CD ARG A 46 4.420 -3.416 -6.104 1.00 0.00 C ATOM 672 NE ARG A 46 5.763 -3.959 -6.410 1.00 0.00 N ATOM 673 CZ ARG A 46 5.984 -4.999 -7.225 1.00 0.00 C ATOM 674 NH1 ARG A 46 4.954 -5.614 -7.821 1.00 0.00 N ATOM 675 NH2 ARG A 46 7.236 -5.423 -7.443 1.00 0.00 N ATOM 0 H ARG A 46 4.512 -4.912 -3.709 1.00 0.00 H new ATOM 0 HA ARG A 46 4.572 -2.387 -2.238 1.00 0.00 H new ATOM 0 HB2 ARG A 46 2.580 -2.540 -4.459 1.00 0.00 H new ATOM 0 HB3 ARG A 46 3.366 -1.141 -3.757 1.00 0.00 H new ATOM 0 HG2 ARG A 46 4.391 -1.272 -5.875 1.00 0.00 H new ATOM 0 HG3 ARG A 46 5.560 -2.081 -4.851 1.00 0.00 H new ATOM 0 HD2 ARG A 46 3.829 -4.163 -5.574 1.00 0.00 H new ATOM 0 HD3 ARG A 46 3.891 -3.188 -7.029 1.00 0.00 H new ATOM 0 HE ARG A 46 6.570 -3.514 -5.973 1.00 0.00 H new ATOM 0 HH11 ARG A 46 4.001 -5.290 -7.654 1.00 0.00 H new ATOM 0 HH12 ARG A 46 5.123 -6.406 -8.442 1.00 0.00 H new ATOM 0 HH21 ARG A 46 8.020 -4.954 -6.989 1.00 0.00 H new ATOM 0 HH22 ARG A 46 7.406 -6.215 -8.063 1.00 0.00 H new ATOM 689 N VAL A 47 2.080 -4.430 -3.017 1.00 0.00 N ATOM 690 CA VAL A 47 0.907 -5.105 -2.488 1.00 0.00 C ATOM 691 C VAL A 47 0.489 -6.220 -3.449 1.00 0.00 C ATOM 692 O VAL A 47 -0.277 -5.985 -4.383 1.00 0.00 O ATOM 693 CB VAL A 47 -0.208 -4.089 -2.230 1.00 0.00 C ATOM 694 CG1 VAL A 47 -0.122 -2.918 -3.211 1.00 0.00 C ATOM 695 CG2 VAL A 47 -1.584 -4.757 -2.294 1.00 0.00 C ATOM 0 H VAL A 47 2.258 -4.598 -4.007 1.00 0.00 H new ATOM 0 HA VAL A 47 1.134 -5.571 -1.529 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.073 -3.693 -1.223 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -0.926 -2.211 -3.005 1.00 0.00 H new ATOM 0 HG12 VAL A 47 0.839 -2.417 -3.097 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -0.218 -3.290 -4.231 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -2.359 -4.013 -2.107 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -1.731 -5.194 -3.282 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -1.644 -5.540 -1.539 1.00 0.00 H new ATOM 705 N ASN A 48 1.009 -7.410 -3.184 1.00 0.00 N ATOM 706 CA ASN A 48 0.699 -8.563 -4.013 1.00 0.00 C ATOM 707 C ASN A 48 -0.673 -9.114 -3.620 1.00 0.00 C ATOM 708 O ASN A 48 -1.505 -9.391 -4.482 1.00 0.00 O ATOM 709 CB ASN A 48 1.730 -9.676 -3.817 1.00 0.00 C ATOM 710 CG ASN A 48 2.968 -9.435 -4.684 1.00 0.00 C ATOM 711 OD1 ASN A 48 3.267 -10.176 -5.604 1.00 0.00 O ATOM 712 ND2 ASN A 48 3.670 -8.359 -4.337 1.00 0.00 N ATOM 0 H ASN A 48 1.642 -7.601 -2.408 1.00 0.00 H new ATOM 0 HA ASN A 48 0.709 -8.242 -5.055 1.00 0.00 H new ATOM 0 HB2 ASN A 48 2.021 -9.727 -2.768 1.00 0.00 H new ATOM 0 HB3 ASN A 48 1.285 -10.638 -4.071 1.00 0.00 H new ATOM 0 HD21 ASN A 48 4.515 -8.113 -4.853 1.00 0.00 H new ATOM 0 HD22 ASN A 48 3.363 -7.780 -3.555 1.00 0.00 H new ATOM 719 N SER A 49 -0.866 -9.257 -2.317 1.00 0.00 N ATOM 720 CA SER A 49 -2.123 -9.770 -1.799 1.00 0.00 C ATOM 721 C SER A 49 -2.067 -9.844 -0.272 1.00 0.00 C ATOM 722 O SER A 49 -3.064 -9.584 0.402 1.00 0.00 O ATOM 723 CB SER A 49 -2.438 -11.148 -2.385 1.00 0.00 C ATOM 724 OG SER A 49 -1.436 -12.108 -2.062 1.00 0.00 O ATOM 0 H SER A 49 -0.173 -9.027 -1.605 1.00 0.00 H new ATOM 0 HA SER A 49 -2.920 -9.088 -2.095 1.00 0.00 H new ATOM 0 HB2 SER A 49 -3.402 -11.490 -2.009 1.00 0.00 H new ATOM 0 HB3 SER A 49 -2.528 -11.069 -3.468 1.00 0.00 H new ATOM 0 HG SER A 49 -1.675 -12.974 -2.453 1.00 0.00 H new ATOM 730 N THR A 50 -0.894 -10.200 0.230 1.00 0.00 N ATOM 731 CA THR A 50 -0.696 -10.310 1.666 1.00 0.00 C ATOM 732 C THR A 50 -0.774 -8.931 2.323 1.00 0.00 C ATOM 733 O THR A 50 -1.446 -8.761 3.338 1.00 0.00 O ATOM 734 CB THR A 50 0.636 -11.024 1.905 1.00 0.00 C ATOM 735 OG1 THR A 50 0.365 -12.384 1.576 1.00 0.00 O ATOM 736 CG2 THR A 50 1.018 -11.069 3.386 1.00 0.00 C ATOM 0 H THR A 50 -0.071 -10.416 -0.332 1.00 0.00 H new ATOM 0 HA THR A 50 -1.486 -10.900 2.131 1.00 0.00 H new ATOM 0 HB THR A 50 1.423 -10.522 1.342 1.00 0.00 H new ATOM 0 HG1 THR A 50 1.177 -12.919 1.701 1.00 0.00 H new ATOM 0 HG21 THR A 50 1.971 -11.586 3.500 1.00 0.00 H new ATOM 0 HG22 THR A 50 1.108 -10.053 3.769 1.00 0.00 H new ATOM 0 HG23 THR A 50 0.247 -11.600 3.945 1.00 0.00 H new ATOM 744 N ASP A 51 -0.076 -7.982 1.717 1.00 0.00 N ATOM 745 CA ASP A 51 -0.057 -6.623 2.231 1.00 0.00 C ATOM 746 C ASP A 51 -1.458 -6.018 2.112 1.00 0.00 C ATOM 747 O ASP A 51 -1.958 -5.412 3.058 1.00 0.00 O ATOM 748 CB ASP A 51 0.906 -5.745 1.430 1.00 0.00 C ATOM 749 CG ASP A 51 2.390 -6.034 1.662 1.00 0.00 C ATOM 750 OD1 ASP A 51 2.802 -7.172 1.348 1.00 0.00 O ATOM 751 OD2 ASP A 51 3.079 -5.112 2.148 1.00 0.00 O ATOM 0 H ASP A 51 0.481 -8.127 0.875 1.00 0.00 H new ATOM 0 HA ASP A 51 0.268 -6.660 3.271 1.00 0.00 H new ATOM 0 HB2 ASP A 51 0.689 -5.868 0.369 1.00 0.00 H new ATOM 0 HB3 ASP A 51 0.712 -4.701 1.676 1.00 0.00 H new ATOM 756 N LEU A 52 -2.051 -6.205 0.942 1.00 0.00 N ATOM 757 CA LEU A 52 -3.384 -5.685 0.687 1.00 0.00 C ATOM 758 C LEU A 52 -4.278 -5.973 1.896 1.00 0.00 C ATOM 759 O LEU A 52 -4.811 -5.050 2.512 1.00 0.00 O ATOM 760 CB LEU A 52 -3.933 -6.239 -0.629 1.00 0.00 C ATOM 761 CG LEU A 52 -5.364 -6.778 -0.585 1.00 0.00 C ATOM 762 CD1 LEU A 52 -6.337 -5.712 -0.077 1.00 0.00 C ATOM 763 CD2 LEU A 52 -5.783 -7.334 -1.948 1.00 0.00 C ATOM 0 H LEU A 52 -1.633 -6.709 0.160 1.00 0.00 H new ATOM 0 HA LEU A 52 -3.353 -4.603 0.562 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -3.886 -5.450 -1.380 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -3.275 -7.040 -0.966 1.00 0.00 H new ATOM 0 HG LEU A 52 -5.395 -7.606 0.124 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -7.347 -6.122 -0.056 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -6.048 -5.406 0.928 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -6.310 -4.848 -0.741 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -6.804 -7.711 -1.889 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -5.731 -6.542 -2.696 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -5.113 -8.145 -2.232 1.00 0.00 H new ATOM 775 N GLY A 53 -4.415 -7.255 2.198 1.00 0.00 N ATOM 776 CA GLY A 53 -5.235 -7.675 3.322 1.00 0.00 C ATOM 777 C GLY A 53 -5.022 -6.760 4.529 1.00 0.00 C ATOM 778 O GLY A 53 -5.871 -5.926 4.838 1.00 0.00 O ATOM 0 H GLY A 53 -3.972 -8.017 1.684 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -6.286 -7.664 3.034 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -4.989 -8.702 3.592 1.00 0.00 H new ATOM 782 N ILE A 54 -3.883 -6.947 5.179 1.00 0.00 N ATOM 783 CA ILE A 54 -3.548 -6.149 6.346 1.00 0.00 C ATOM 784 C ILE A 54 -3.900 -4.684 6.075 1.00 0.00 C ATOM 785 O ILE A 54 -4.521 -4.028 6.909 1.00 0.00 O ATOM 786 CB ILE A 54 -2.086 -6.366 6.741 1.00 0.00 C ATOM 787 CG1 ILE A 54 -1.971 -6.769 8.213 1.00 0.00 C ATOM 788 CG2 ILE A 54 -1.240 -5.133 6.416 1.00 0.00 C ATOM 789 CD1 ILE A 54 -2.511 -5.667 9.127 1.00 0.00 C ATOM 0 H ILE A 54 -3.180 -7.639 4.920 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.138 -6.466 7.206 1.00 0.00 H new ATOM 0 HB ILE A 54 -1.691 -7.191 6.149 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -2.524 -7.693 8.385 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -0.928 -6.971 8.458 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.205 -5.315 6.707 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -1.286 -4.932 5.346 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -1.625 -4.273 6.964 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.418 -5.979 10.167 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.940 -4.752 8.970 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -3.560 -5.484 8.896 1.00 0.00 H new ATOM 801 N LEU A 55 -3.488 -4.216 4.906 1.00 0.00 N ATOM 802 CA LEU A 55 -3.753 -2.842 4.515 1.00 0.00 C ATOM 803 C LEU A 55 -5.248 -2.553 4.665 1.00 0.00 C ATOM 804 O LEU A 55 -5.638 -1.667 5.424 1.00 0.00 O ATOM 805 CB LEU A 55 -3.212 -2.572 3.109 1.00 0.00 C ATOM 806 CG LEU A 55 -1.773 -2.055 3.031 1.00 0.00 C ATOM 807 CD1 LEU A 55 -0.867 -3.063 2.323 1.00 0.00 C ATOM 808 CD2 LEU A 55 -1.722 -0.676 2.373 1.00 0.00 C ATOM 0 H LEU A 55 -2.973 -4.764 4.217 1.00 0.00 H new ATOM 0 HA LEU A 55 -3.227 -2.150 5.173 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -3.277 -3.495 2.533 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -3.864 -1.846 2.623 1.00 0.00 H new ATOM 0 HG LEU A 55 -1.394 -1.941 4.047 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.149 -2.672 2.281 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.871 -4.004 2.872 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -1.233 -3.232 1.310 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.689 -0.331 2.330 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -2.126 -0.740 1.363 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -2.315 0.028 2.957 1.00 0.00 H new ATOM 820 N LYS A 56 -6.043 -3.315 3.929 1.00 0.00 N ATOM 821 CA LYS A 56 -7.486 -3.151 3.970 1.00 0.00 C ATOM 822 C LYS A 56 -7.974 -3.335 5.409 1.00 0.00 C ATOM 823 O LYS A 56 -9.131 -3.056 5.716 1.00 0.00 O ATOM 824 CB LYS A 56 -8.160 -4.088 2.967 1.00 0.00 C ATOM 825 CG LYS A 56 -9.680 -4.076 3.143 1.00 0.00 C ATOM 826 CD LYS A 56 -10.389 -4.102 1.787 1.00 0.00 C ATOM 827 CE LYS A 56 -11.856 -4.506 1.943 1.00 0.00 C ATOM 828 NZ LYS A 56 -12.279 -5.368 0.816 1.00 0.00 N ATOM 0 H LYS A 56 -5.715 -4.048 3.300 1.00 0.00 H new ATOM 0 HA LYS A 56 -7.765 -2.142 3.665 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -7.905 -3.784 1.952 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -7.783 -5.102 3.100 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -9.988 -4.938 3.735 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -9.979 -3.186 3.697 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -10.327 -3.119 1.321 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -9.884 -4.802 1.122 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -11.995 -5.035 2.886 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -12.483 -3.615 1.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -13.277 -5.633 0.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -12.165 -4.850 -0.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -11.693 -6.227 0.797 1.00 0.00 H new ATOM 842 N ARG A 57 -7.067 -3.807 6.252 1.00 0.00 N ATOM 843 CA ARG A 57 -7.391 -4.033 7.650 1.00 0.00 C ATOM 844 C ARG A 57 -7.100 -2.775 8.472 1.00 0.00 C ATOM 845 O ARG A 57 -7.922 -2.356 9.285 1.00 0.00 O ATOM 846 CB ARG A 57 -6.587 -5.203 8.220 1.00 0.00 C ATOM 847 CG ARG A 57 -7.514 -6.275 8.797 1.00 0.00 C ATOM 848 CD ARG A 57 -6.790 -7.118 9.848 1.00 0.00 C ATOM 849 NE ARG A 57 -7.488 -8.410 10.029 1.00 0.00 N ATOM 850 CZ ARG A 57 -7.042 -9.401 10.813 1.00 0.00 C ATOM 851 NH1 ARG A 57 -5.896 -9.255 11.493 1.00 0.00 N ATOM 852 NH2 ARG A 57 -7.741 -10.540 10.917 1.00 0.00 N ATOM 0 H ARG A 57 -6.108 -4.039 5.993 1.00 0.00 H new ATOM 0 HA ARG A 57 -8.452 -4.273 7.710 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -5.965 -5.638 7.437 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -5.914 -4.842 8.998 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -8.388 -5.802 9.244 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -7.875 -6.919 7.995 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -5.759 -7.292 9.539 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -6.752 -6.580 10.795 1.00 0.00 H new ATOM 0 HE ARG A 57 -8.363 -8.555 9.526 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -5.363 -8.389 11.414 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -5.557 -10.010 12.090 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -8.613 -10.653 10.399 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -7.401 -11.294 11.514 1.00 0.00 H new ATOM 866 N TYR A 58 -5.926 -2.207 8.231 1.00 0.00 N ATOM 867 CA TYR A 58 -5.516 -1.007 8.939 1.00 0.00 C ATOM 868 C TYR A 58 -5.956 0.250 8.186 1.00 0.00 C ATOM 869 O TYR A 58 -6.386 1.228 8.798 1.00 0.00 O ATOM 870 CB TYR A 58 -3.989 -1.048 8.989 1.00 0.00 C ATOM 871 CG TYR A 58 -3.308 -0.162 7.943 1.00 0.00 C ATOM 872 CD1 TYR A 58 -3.475 1.207 7.984 1.00 0.00 C ATOM 873 CD2 TYR A 58 -2.525 -0.733 6.961 1.00 0.00 C ATOM 874 CE1 TYR A 58 -2.834 2.041 7.000 1.00 0.00 C ATOM 875 CE2 TYR A 58 -1.884 0.101 5.976 1.00 0.00 C ATOM 876 CZ TYR A 58 -2.070 1.446 6.045 1.00 0.00 C ATOM 877 OH TYR A 58 -1.465 2.233 5.115 1.00 0.00 O ATOM 0 H TYR A 58 -5.247 -2.557 7.555 1.00 0.00 H new ATOM 0 HA TYR A 58 -5.966 -0.974 9.931 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -3.660 -0.740 9.981 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -3.659 -2.077 8.849 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -4.087 1.653 8.754 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -2.393 -1.804 6.931 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -2.957 3.114 7.020 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -1.270 -0.333 5.201 1.00 0.00 H new ATOM 0 HH TYR A 58 -1.128 1.675 4.383 1.00 0.00 H new ATOM 887 N ILE A 59 -5.836 0.185 6.869 1.00 0.00 N ATOM 888 CA ILE A 59 -6.215 1.307 6.025 1.00 0.00 C ATOM 889 C ILE A 59 -7.698 1.620 6.238 1.00 0.00 C ATOM 890 O ILE A 59 -8.147 2.731 5.963 1.00 0.00 O ATOM 891 CB ILE A 59 -5.849 1.027 4.566 1.00 0.00 C ATOM 892 CG1 ILE A 59 -6.817 0.021 3.940 1.00 0.00 C ATOM 893 CG2 ILE A 59 -4.393 0.574 4.443 1.00 0.00 C ATOM 894 CD1 ILE A 59 -7.780 0.716 2.973 1.00 0.00 C ATOM 0 H ILE A 59 -5.482 -0.627 6.364 1.00 0.00 H new ATOM 0 HA ILE A 59 -5.656 2.200 6.304 1.00 0.00 H new ATOM 0 HB ILE A 59 -5.945 1.957 4.006 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -6.255 -0.748 3.410 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -7.383 -0.481 4.724 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -4.159 0.382 3.396 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -3.735 1.355 4.824 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -4.246 -0.338 5.021 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -8.457 -0.021 2.542 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -8.357 1.468 3.512 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -7.212 1.197 2.177 1.00 0.00 H new ATOM 906 N LEU A 60 -8.417 0.619 6.727 1.00 0.00 N ATOM 907 CA LEU A 60 -9.839 0.775 6.980 1.00 0.00 C ATOM 908 C LEU A 60 -10.074 2.059 7.778 1.00 0.00 C ATOM 909 O LEU A 60 -10.857 2.915 7.368 1.00 0.00 O ATOM 910 CB LEU A 60 -10.403 -0.478 7.652 1.00 0.00 C ATOM 911 CG LEU A 60 -11.760 -0.962 7.137 1.00 0.00 C ATOM 912 CD1 LEU A 60 -11.597 -1.807 5.872 1.00 0.00 C ATOM 913 CD2 LEU A 60 -12.528 -1.709 8.230 1.00 0.00 C ATOM 0 H LEU A 60 -8.041 -0.302 6.954 1.00 0.00 H new ATOM 0 HA LEU A 60 -10.384 0.879 6.042 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -9.682 -1.286 7.532 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -10.490 -0.285 8.721 1.00 0.00 H new ATOM 0 HG LEU A 60 -12.353 -0.088 6.867 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -12.576 -2.138 5.527 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -11.121 -1.210 5.094 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -10.977 -2.676 6.092 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -13.489 -2.042 7.837 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -11.950 -2.574 8.555 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -12.694 -1.044 9.078 1.00 0.00 H new ATOM 925 N LYS A 61 -9.381 2.153 8.903 1.00 0.00 N ATOM 926 CA LYS A 61 -9.505 3.319 9.763 1.00 0.00 C ATOM 927 C LYS A 61 -8.492 3.213 10.905 1.00 0.00 C ATOM 928 O LYS A 61 -8.768 3.643 12.024 1.00 0.00 O ATOM 929 CB LYS A 61 -10.951 3.485 10.236 1.00 0.00 C ATOM 930 CG LYS A 61 -11.107 4.746 11.088 1.00 0.00 C ATOM 931 CD LYS A 61 -10.267 5.895 10.527 1.00 0.00 C ATOM 932 CE LYS A 61 -10.791 7.246 11.015 1.00 0.00 C ATOM 933 NZ LYS A 61 -9.737 8.279 10.912 1.00 0.00 N ATOM 0 H LYS A 61 -8.732 1.442 9.239 1.00 0.00 H new ATOM 0 HA LYS A 61 -9.269 4.228 9.210 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -11.616 3.540 9.374 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -11.251 2.611 10.815 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -12.156 5.040 11.120 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -10.803 4.536 12.114 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -9.228 5.773 10.831 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -10.286 5.866 9.438 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -11.657 7.542 10.423 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -11.125 7.161 12.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -10.110 9.190 11.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -8.922 8.003 11.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -9.437 8.372 9.920 1.00 0.00 H new ATOM 947 N GLU A 62 -7.342 2.641 10.583 1.00 0.00 N ATOM 948 CA GLU A 62 -6.288 2.474 11.569 1.00 0.00 C ATOM 949 C GLU A 62 -5.011 3.178 11.104 1.00 0.00 C ATOM 950 O GLU A 62 -4.037 3.263 11.852 1.00 0.00 O ATOM 951 CB GLU A 62 -6.026 0.992 11.847 1.00 0.00 C ATOM 952 CG GLU A 62 -6.320 0.650 13.308 1.00 0.00 C ATOM 953 CD GLU A 62 -6.141 -0.848 13.567 1.00 0.00 C ATOM 954 OE1 GLU A 62 -6.730 -1.633 12.794 1.00 0.00 O ATOM 955 OE2 GLU A 62 -5.416 -1.174 14.533 1.00 0.00 O ATOM 0 H GLU A 62 -7.117 2.287 9.653 1.00 0.00 H new ATOM 0 HA GLU A 62 -6.614 2.933 12.502 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -6.648 0.380 11.194 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -4.988 0.752 11.615 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -5.655 1.217 13.959 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -7.339 0.947 13.557 1.00 0.00 H new ATOM 962 N ILE A 63 -5.057 3.666 9.873 1.00 0.00 N ATOM 963 CA ILE A 63 -3.916 4.359 9.300 1.00 0.00 C ATOM 964 C ILE A 63 -3.278 5.250 10.367 1.00 0.00 C ATOM 965 O ILE A 63 -3.908 6.186 10.857 1.00 0.00 O ATOM 966 CB ILE A 63 -4.328 5.114 8.034 1.00 0.00 C ATOM 967 CG1 ILE A 63 -3.232 6.087 7.595 1.00 0.00 C ATOM 968 CG2 ILE A 63 -5.674 5.815 8.228 1.00 0.00 C ATOM 969 CD1 ILE A 63 -2.074 5.343 6.926 1.00 0.00 C ATOM 0 H ILE A 63 -5.867 3.595 9.257 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.156 3.645 8.984 1.00 0.00 H new ATOM 0 HB ILE A 63 -4.456 4.389 7.230 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -3.647 6.819 6.902 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -2.863 6.639 8.459 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -5.944 6.344 7.314 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -6.440 5.075 8.458 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -5.598 6.527 9.050 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -1.309 6.058 6.624 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -1.646 4.629 7.629 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -2.442 4.812 6.048 1.00 0.00 H new ATOM 981 N ASP A 64 -2.035 4.929 10.695 1.00 0.00 N ATOM 982 CA ASP A 64 -1.305 5.688 11.697 1.00 0.00 C ATOM 983 C ASP A 64 -0.203 4.811 12.293 1.00 0.00 C ATOM 984 O ASP A 64 0.803 5.320 12.785 1.00 0.00 O ATOM 985 CB ASP A 64 -2.227 6.128 12.834 1.00 0.00 C ATOM 986 CG ASP A 64 -2.744 7.565 12.731 1.00 0.00 C ATOM 987 OD1 ASP A 64 -2.398 8.220 11.724 1.00 0.00 O ATOM 988 OD2 ASP A 64 -3.473 7.974 13.658 1.00 0.00 O ATOM 0 H ASP A 64 -1.515 4.154 10.285 1.00 0.00 H new ATOM 0 HA ASP A 64 -0.885 6.569 11.212 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -3.082 5.452 12.870 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -1.693 6.017 13.778 1.00 0.00 H new ATOM 993 N THR A 65 -0.429 3.507 12.230 1.00 0.00 N ATOM 994 CA THR A 65 0.532 2.554 12.756 1.00 0.00 C ATOM 995 C THR A 65 0.593 1.309 11.869 1.00 0.00 C ATOM 996 O THR A 65 1.677 0.835 11.532 1.00 0.00 O ATOM 997 CB THR A 65 0.148 2.248 14.205 1.00 0.00 C ATOM 998 OG1 THR A 65 0.914 3.174 14.971 1.00 0.00 O ATOM 999 CG2 THR A 65 0.650 0.878 14.668 1.00 0.00 C ATOM 0 H THR A 65 -1.265 3.088 11.822 1.00 0.00 H new ATOM 0 HA THR A 65 1.541 2.967 12.750 1.00 0.00 H new ATOM 0 HB THR A 65 -0.936 2.292 14.309 1.00 0.00 H new ATOM 0 HG1 THR A 65 1.086 3.977 14.437 1.00 0.00 H new ATOM 0 HG21 THR A 65 0.350 0.711 15.703 1.00 0.00 H new ATOM 0 HG22 THR A 65 0.221 0.101 14.036 1.00 0.00 H new ATOM 0 HG23 THR A 65 1.737 0.845 14.595 1.00 0.00 H new ATOM 1007 N LEU A 66 -0.585 0.817 11.514 1.00 0.00 N ATOM 1008 CA LEU A 66 -0.679 -0.362 10.671 1.00 0.00 C ATOM 1009 C LEU A 66 -0.152 -1.576 11.439 1.00 0.00 C ATOM 1010 O LEU A 66 1.054 -1.714 11.636 1.00 0.00 O ATOM 1011 CB LEU A 66 0.028 -0.124 9.335 1.00 0.00 C ATOM 1012 CG LEU A 66 0.415 -1.379 8.549 1.00 0.00 C ATOM 1013 CD1 LEU A 66 0.398 -1.109 7.043 1.00 0.00 C ATOM 1014 CD2 LEU A 66 1.765 -1.925 9.018 1.00 0.00 C ATOM 0 H LEU A 66 -1.482 1.213 11.795 1.00 0.00 H new ATOM 0 HA LEU A 66 -1.719 -0.570 10.421 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -0.620 0.488 8.708 1.00 0.00 H new ATOM 0 HB3 LEU A 66 0.931 0.456 9.523 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.330 -2.150 8.747 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.677 -2.017 6.507 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -0.603 -0.801 6.740 1.00 0.00 H new ATOM 0 HD13 LEU A 66 1.108 -0.316 6.807 1.00 0.00 H new ATOM 0 HD21 LEU A 66 2.016 -2.817 8.443 1.00 0.00 H new ATOM 0 HD22 LEU A 66 2.535 -1.168 8.869 1.00 0.00 H new ATOM 0 HD23 LEU A 66 1.707 -2.180 10.076 1.00 0.00 H new