USER MOD reduce.3.24.130724 H: found=0, std=0, add=647, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 648 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 82 LYS NZ :NH3+ 180:sc= 1.27 (180deg=1.27) USER MOD Set 1.2: A 88 HIS : no HD1:sc=-0.00846 K(o=1.3,f=0.17) USER MOD Set 2.1: A 36 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 65 HIS : no HD1:sc= -0.0831 X(o=-0.083,f=-0.083) USER MOD Set 3.1: A 52 SER OG : rot 41:sc= -1.14! USER MOD Set 3.2: A 77 TYR OH : rot -7:sc= 0.833 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot -7:sc= -0.183 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 156:sc= 0.254 USER MOD Single : A 29 SER OG : rot 48:sc= 0.287 USER MOD Single : A 30 SER OG : rot 55:sc= 0.416 USER MOD Single : A 35 ASN : amide:sc= -0.34 X(o=-0.34,f=-0.68) USER MOD Single : A 38 ASN : amide:sc= -1.3 K(o=-1.3,f=-0.0068) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.71 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc=-0.00201 X(o=-0.002,f=-0.14) USER MOD Single : A 58 CYS SG : rot 180:sc=-0.00891 USER MOD Single : A 61 CYS SG : rot 110:sc= -5.32! USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot -178:sc= 0.276 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl -152:sc= -0.125 (180deg=-0.907) USER MOD Single : A 76 ASN : amide:sc= -0.0376 X(o=-0.038,f=-0.04) USER MOD Single : A 83 TYR OH : rot -35:sc= -0.147 USER MOD Single : A 87 GLN : amide:sc= -0.12 K(o=-0.12,f=-1.7!) USER MOD Single : A 92 SER OG : rot 0:sc= 2.05 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 THR OG1 : rot 180:sc= -0.0801 USER MOD ----------------------------------------------------------------- ATOM 83 N ASP A 10 7.252 -17.484 1.339 1.00 0.00 N ATOM 84 CA ASP A 10 6.260 -17.704 2.385 1.00 0.00 C ATOM 85 C ASP A 10 5.559 -16.400 2.753 1.00 0.00 C ATOM 86 O ASP A 10 6.118 -15.536 3.429 1.00 0.00 O ATOM 87 CB ASP A 10 6.920 -18.310 3.624 1.00 0.00 C ATOM 88 CG ASP A 10 7.175 -19.797 3.476 1.00 0.00 C ATOM 89 OD1 ASP A 10 6.215 -20.537 3.172 1.00 0.00 O ATOM 90 OD2 ASP A 10 8.334 -20.221 3.663 1.00 0.00 O ATOM 0 HA ASP A 10 5.514 -18.401 2.003 1.00 0.00 H new ATOM 0 HB2 ASP A 10 7.864 -17.800 3.815 1.00 0.00 H new ATOM 0 HB3 ASP A 10 6.283 -18.138 4.492 1.00 0.00 H new ATOM 95 N PRO A 11 4.307 -16.251 2.296 1.00 0.00 N ATOM 96 CA PRO A 11 3.503 -15.055 2.564 1.00 0.00 C ATOM 97 C PRO A 11 3.086 -14.952 4.027 1.00 0.00 C ATOM 98 O PRO A 11 2.824 -13.862 4.533 1.00 0.00 O ATOM 99 CB PRO A 11 2.275 -15.245 1.670 1.00 0.00 C ATOM 100 CG PRO A 11 2.168 -16.719 1.481 1.00 0.00 C ATOM 101 CD PRO A 11 3.579 -17.240 1.483 1.00 0.00 C ATOM 0 HA PRO A 11 4.057 -14.138 2.362 1.00 0.00 H new ATOM 0 HB2 PRO A 11 1.378 -14.840 2.138 1.00 0.00 H new ATOM 0 HB3 PRO A 11 2.396 -14.731 0.716 1.00 0.00 H new ATOM 0 HG2 PRO A 11 1.583 -17.174 2.281 1.00 0.00 H new ATOM 0 HG3 PRO A 11 1.665 -16.957 0.543 1.00 0.00 H new ATOM 0 HD2 PRO A 11 3.638 -18.238 1.917 1.00 0.00 H new ATOM 0 HD3 PRO A 11 3.984 -17.307 0.473 1.00 0.00 H new ATOM 109 N GLY A 12 3.027 -16.096 4.702 1.00 0.00 N ATOM 110 CA GLY A 12 2.642 -16.113 6.101 1.00 0.00 C ATOM 111 C GLY A 12 3.627 -15.370 6.983 1.00 0.00 C ATOM 112 O GLY A 12 3.311 -15.021 8.121 1.00 0.00 O ATOM 0 H GLY A 12 3.239 -17.011 4.305 1.00 0.00 H new ATOM 0 HA2 GLY A 12 1.654 -15.665 6.208 1.00 0.00 H new ATOM 0 HA3 GLY A 12 2.563 -17.146 6.440 1.00 0.00 H new ATOM 116 N LEU A 13 4.823 -15.130 6.458 1.00 0.00 N ATOM 117 CA LEU A 13 5.859 -14.425 7.206 1.00 0.00 C ATOM 118 C LEU A 13 6.074 -13.022 6.648 1.00 0.00 C ATOM 119 O LEU A 13 7.148 -12.440 6.799 1.00 0.00 O ATOM 120 CB LEU A 13 7.171 -15.210 7.162 1.00 0.00 C ATOM 121 CG LEU A 13 7.072 -16.700 7.490 1.00 0.00 C ATOM 122 CD1 LEU A 13 8.454 -17.337 7.502 1.00 0.00 C ATOM 123 CD2 LEU A 13 6.377 -16.907 8.828 1.00 0.00 C ATOM 0 H LEU A 13 5.100 -15.413 5.518 1.00 0.00 H new ATOM 0 HA LEU A 13 5.529 -14.338 8.241 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.601 -15.105 6.166 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.870 -14.750 7.861 1.00 0.00 H new ATOM 0 HG LEU A 13 6.477 -17.184 6.715 1.00 0.00 H new ATOM 0 HD11 LEU A 13 8.364 -18.397 7.737 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.917 -17.221 6.522 1.00 0.00 H new ATOM 0 HD13 LEU A 13 9.073 -16.850 8.255 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.316 -17.973 9.045 1.00 0.00 H new ATOM 0 HD22 LEU A 13 6.945 -16.409 9.614 1.00 0.00 H new ATOM 0 HD23 LEU A 13 5.372 -16.487 8.785 1.00 0.00 H new ATOM 135 N VAL A 14 5.044 -12.482 6.004 1.00 0.00 N ATOM 136 CA VAL A 14 5.118 -11.146 5.426 1.00 0.00 C ATOM 137 C VAL A 14 4.004 -10.253 5.960 1.00 0.00 C ATOM 138 O VAL A 14 2.830 -10.623 5.929 1.00 0.00 O ATOM 139 CB VAL A 14 5.031 -11.193 3.889 1.00 0.00 C ATOM 140 CG1 VAL A 14 4.820 -9.797 3.323 1.00 0.00 C ATOM 141 CG2 VAL A 14 6.283 -11.830 3.304 1.00 0.00 C ATOM 0 H VAL A 14 4.148 -12.950 5.870 1.00 0.00 H new ATOM 0 HA VAL A 14 6.083 -10.730 5.715 1.00 0.00 H new ATOM 0 HB VAL A 14 4.174 -11.806 3.610 1.00 0.00 H new ATOM 0 HG11 VAL A 14 4.761 -9.850 2.236 1.00 0.00 H new ATOM 0 HG12 VAL A 14 3.893 -9.381 3.717 1.00 0.00 H new ATOM 0 HG13 VAL A 14 5.655 -9.158 3.610 1.00 0.00 H new ATOM 0 HG21 VAL A 14 6.205 -11.855 2.217 1.00 0.00 H new ATOM 0 HG22 VAL A 14 7.157 -11.245 3.591 1.00 0.00 H new ATOM 0 HG23 VAL A 14 6.386 -12.846 3.684 1.00 0.00 H new ATOM 151 N SER A 15 4.379 -9.075 6.449 1.00 0.00 N ATOM 152 CA SER A 15 3.412 -8.130 6.994 1.00 0.00 C ATOM 153 C SER A 15 3.786 -6.698 6.626 1.00 0.00 C ATOM 154 O SER A 15 4.913 -6.425 6.214 1.00 0.00 O ATOM 155 CB SER A 15 3.327 -8.273 8.515 1.00 0.00 C ATOM 156 OG SER A 15 2.113 -7.736 9.011 1.00 0.00 O ATOM 0 H SER A 15 5.346 -8.753 6.479 1.00 0.00 H new ATOM 0 HA SER A 15 2.437 -8.355 6.561 1.00 0.00 H new ATOM 0 HB2 SER A 15 3.402 -9.325 8.789 1.00 0.00 H new ATOM 0 HB3 SER A 15 4.171 -7.762 8.979 1.00 0.00 H new ATOM 0 HG SER A 15 2.082 -7.841 9.985 1.00 0.00 H new ATOM 162 N ALA A 16 2.831 -5.786 6.779 1.00 0.00 N ATOM 163 CA ALA A 16 3.059 -4.381 6.466 1.00 0.00 C ATOM 164 C ALA A 16 2.652 -3.485 7.631 1.00 0.00 C ATOM 165 O ALA A 16 1.819 -3.862 8.455 1.00 0.00 O ATOM 166 CB ALA A 16 2.299 -3.990 5.207 1.00 0.00 C ATOM 0 H ALA A 16 1.892 -5.996 7.118 1.00 0.00 H new ATOM 0 HA ALA A 16 4.126 -4.243 6.291 1.00 0.00 H new ATOM 0 HB1 ALA A 16 2.479 -2.938 4.985 1.00 0.00 H new ATOM 0 HB2 ALA A 16 2.641 -4.600 4.371 1.00 0.00 H new ATOM 0 HB3 ALA A 16 1.232 -4.151 5.361 1.00 0.00 H new ATOM 172 N TYR A 17 3.246 -2.298 7.694 1.00 0.00 N ATOM 173 CA TYR A 17 2.947 -1.350 8.760 1.00 0.00 C ATOM 174 C TYR A 17 3.094 0.087 8.269 1.00 0.00 C ATOM 175 O TYR A 17 3.754 0.347 7.264 1.00 0.00 O ATOM 176 CB TYR A 17 3.870 -1.588 9.957 1.00 0.00 C ATOM 177 CG TYR A 17 5.289 -1.937 9.567 1.00 0.00 C ATOM 178 CD1 TYR A 17 6.172 -0.955 9.135 1.00 0.00 C ATOM 179 CD2 TYR A 17 5.745 -3.248 9.629 1.00 0.00 C ATOM 180 CE1 TYR A 17 7.469 -1.269 8.777 1.00 0.00 C ATOM 181 CE2 TYR A 17 7.041 -3.570 9.274 1.00 0.00 C ATOM 182 CZ TYR A 17 7.899 -2.578 8.849 1.00 0.00 C ATOM 183 OH TYR A 17 9.190 -2.895 8.493 1.00 0.00 O ATOM 0 H TYR A 17 3.937 -1.970 7.019 1.00 0.00 H new ATOM 0 HA TYR A 17 1.913 -1.505 9.069 1.00 0.00 H new ATOM 0 HB2 TYR A 17 3.883 -0.693 10.579 1.00 0.00 H new ATOM 0 HB3 TYR A 17 3.461 -2.394 10.566 1.00 0.00 H new ATOM 0 HD1 TYR A 17 5.839 0.071 9.078 1.00 0.00 H new ATOM 0 HD2 TYR A 17 5.076 -4.028 9.960 1.00 0.00 H new ATOM 0 HE1 TYR A 17 8.143 -0.494 8.443 1.00 0.00 H new ATOM 0 HE2 TYR A 17 7.380 -4.594 9.329 1.00 0.00 H new ATOM 0 HH TYR A 17 9.628 -2.105 8.114 1.00 0.00 H new ATOM 193 N GLY A 18 2.473 1.018 8.987 1.00 0.00 N ATOM 194 CA GLY A 18 2.546 2.417 8.611 1.00 0.00 C ATOM 195 C GLY A 18 1.210 3.122 8.737 1.00 0.00 C ATOM 196 O GLY A 18 0.156 2.491 8.818 1.00 0.00 O ATOM 0 H GLY A 18 1.920 0.828 9.823 1.00 0.00 H new ATOM 0 HA2 GLY A 18 3.280 2.921 9.240 1.00 0.00 H new ATOM 0 HA3 GLY A 18 2.899 2.496 7.583 1.00 0.00 H new ATOM 200 N PRO A 19 1.244 4.463 8.757 1.00 0.00 N ATOM 201 CA PRO A 19 0.035 5.284 8.876 1.00 0.00 C ATOM 202 C PRO A 19 -0.829 5.227 7.621 1.00 0.00 C ATOM 203 O PRO A 19 -1.980 5.662 7.628 1.00 0.00 O ATOM 204 CB PRO A 19 0.585 6.697 9.082 1.00 0.00 C ATOM 205 CG PRO A 19 1.937 6.673 8.456 1.00 0.00 C ATOM 206 CD PRO A 19 2.465 5.281 8.665 1.00 0.00 C ATOM 0 HA PRO A 19 -0.613 4.942 9.683 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -0.055 7.443 8.612 1.00 0.00 H new ATOM 0 HB3 PRO A 19 0.644 6.948 10.141 1.00 0.00 H new ATOM 0 HG2 PRO A 19 1.880 6.913 7.394 1.00 0.00 H new ATOM 0 HG3 PRO A 19 2.593 7.412 8.915 1.00 0.00 H new ATOM 0 HD2 PRO A 19 3.100 4.964 7.838 1.00 0.00 H new ATOM 0 HD3 PRO A 19 3.065 5.211 9.572 1.00 0.00 H new ATOM 214 N GLY A 20 -0.267 4.686 6.544 1.00 0.00 N ATOM 215 CA GLY A 20 -1.002 4.582 5.297 1.00 0.00 C ATOM 216 C GLY A 20 -1.990 3.432 5.300 1.00 0.00 C ATOM 217 O GLY A 20 -3.036 3.501 4.654 1.00 0.00 O ATOM 0 H GLY A 20 0.684 4.318 6.513 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -1.536 5.515 5.115 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -0.299 4.451 4.474 1.00 0.00 H new ATOM 221 N LEU A 21 -1.659 2.372 6.029 1.00 0.00 N ATOM 222 CA LEU A 21 -2.524 1.201 6.113 1.00 0.00 C ATOM 223 C LEU A 21 -3.712 1.466 7.032 1.00 0.00 C ATOM 224 O LEU A 21 -4.821 0.995 6.780 1.00 0.00 O ATOM 225 CB LEU A 21 -1.734 -0.007 6.619 1.00 0.00 C ATOM 226 CG LEU A 21 -0.396 -0.272 5.927 1.00 0.00 C ATOM 227 CD1 LEU A 21 0.462 -1.208 6.764 1.00 0.00 C ATOM 228 CD2 LEU A 21 -0.620 -0.850 4.537 1.00 0.00 C ATOM 0 H LEU A 21 -0.798 2.300 6.570 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.902 0.988 5.113 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -1.549 0.126 7.685 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.358 -0.894 6.512 1.00 0.00 H new ATOM 0 HG LEU A 21 0.132 0.676 5.824 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.410 -1.385 6.256 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.651 -0.755 7.737 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.059 -2.156 6.900 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.343 -1.032 4.059 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -1.169 -1.788 4.617 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.195 -0.144 3.938 1.00 0.00 H new ATOM 240 N GLU A 22 -3.473 2.225 8.096 1.00 0.00 N ATOM 241 CA GLU A 22 -4.524 2.555 9.051 1.00 0.00 C ATOM 242 C GLU A 22 -5.315 3.776 8.591 1.00 0.00 C ATOM 243 O GLU A 22 -6.427 4.021 9.056 1.00 0.00 O ATOM 244 CB GLU A 22 -3.924 2.814 10.435 1.00 0.00 C ATOM 245 CG GLU A 22 -3.780 1.560 11.281 1.00 0.00 C ATOM 246 CD GLU A 22 -3.479 1.868 12.734 1.00 0.00 C ATOM 247 OE1 GLU A 22 -2.373 2.374 13.017 1.00 0.00 O ATOM 248 OE2 GLU A 22 -4.350 1.604 13.589 1.00 0.00 O ATOM 0 H GLU A 22 -2.561 2.623 8.319 1.00 0.00 H new ATOM 0 HA GLU A 22 -5.204 1.705 9.111 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -2.944 3.276 10.316 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -4.552 3.530 10.966 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -4.699 0.978 11.220 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.982 0.940 10.872 1.00 0.00 H new ATOM 255 N GLY A 23 -4.731 4.540 7.672 1.00 0.00 N ATOM 256 CA GLY A 23 -5.394 5.727 7.164 1.00 0.00 C ATOM 257 C GLY A 23 -4.769 7.007 7.682 1.00 0.00 C ATOM 258 O GLY A 23 -3.819 6.970 8.463 1.00 0.00 O ATOM 0 H GLY A 23 -3.811 4.358 7.271 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -5.356 5.723 6.075 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -6.447 5.700 7.446 1.00 0.00 H new ATOM 262 N GLY A 24 -5.302 8.143 7.244 1.00 0.00 N ATOM 263 CA GLY A 24 -4.776 9.425 7.677 1.00 0.00 C ATOM 264 C GLY A 24 -5.671 10.582 7.282 1.00 0.00 C ATOM 265 O GLY A 24 -6.878 10.557 7.528 1.00 0.00 O ATOM 0 H GLY A 24 -6.089 8.199 6.597 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -4.654 9.417 8.760 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.786 9.572 7.246 1.00 0.00 H new ATOM 269 N THR A 25 -5.080 11.603 6.669 1.00 0.00 N ATOM 270 CA THR A 25 -5.831 12.777 6.241 1.00 0.00 C ATOM 271 C THR A 25 -5.664 13.022 4.746 1.00 0.00 C ATOM 272 O THR A 25 -4.707 12.550 4.131 1.00 0.00 O ATOM 273 CB THR A 25 -5.388 14.037 7.009 1.00 0.00 C ATOM 274 OG1 THR A 25 -5.810 13.952 8.375 1.00 0.00 O ATOM 275 CG2 THR A 25 -5.968 15.290 6.371 1.00 0.00 C ATOM 0 H THR A 25 -4.083 11.641 6.458 1.00 0.00 H new ATOM 0 HA THR A 25 -6.880 12.578 6.458 1.00 0.00 H new ATOM 0 HB THR A 25 -4.300 14.097 6.969 1.00 0.00 H new ATOM 0 HG1 THR A 25 -5.523 14.756 8.857 1.00 0.00 H new ATOM 0 HG21 THR A 25 -5.642 16.167 6.930 1.00 0.00 H new ATOM 0 HG22 THR A 25 -5.622 15.367 5.340 1.00 0.00 H new ATOM 0 HG23 THR A 25 -7.057 15.235 6.385 1.00 0.00 H new ATOM 283 N THR A 26 -6.601 13.764 4.164 1.00 0.00 N ATOM 284 CA THR A 26 -6.558 14.071 2.740 1.00 0.00 C ATOM 285 C THR A 26 -5.375 14.973 2.408 1.00 0.00 C ATOM 286 O THR A 26 -4.856 15.677 3.274 1.00 0.00 O ATOM 287 CB THR A 26 -7.857 14.754 2.274 1.00 0.00 C ATOM 288 OG1 THR A 26 -8.326 15.657 3.281 1.00 0.00 O ATOM 289 CG2 THR A 26 -8.933 13.722 1.971 1.00 0.00 C ATOM 0 H THR A 26 -7.399 14.164 4.657 1.00 0.00 H new ATOM 0 HA THR A 26 -6.446 13.122 2.215 1.00 0.00 H new ATOM 0 HB THR A 26 -7.641 15.309 1.361 1.00 0.00 H new ATOM 0 HG1 THR A 26 -8.885 16.347 2.867 1.00 0.00 H new ATOM 0 HG21 THR A 26 -9.841 14.228 1.644 1.00 0.00 H new ATOM 0 HG22 THR A 26 -8.585 13.055 1.182 1.00 0.00 H new ATOM 0 HG23 THR A 26 -9.145 13.142 2.870 1.00 0.00 H new ATOM 297 N GLY A 27 -4.954 14.949 1.147 1.00 0.00 N ATOM 298 CA GLY A 27 -3.835 15.770 0.723 1.00 0.00 C ATOM 299 C GLY A 27 -2.578 15.495 1.524 1.00 0.00 C ATOM 300 O GLY A 27 -1.624 16.273 1.483 1.00 0.00 O ATOM 0 H GLY A 27 -5.368 14.376 0.412 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -3.636 15.590 -0.333 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -4.102 16.822 0.822 1.00 0.00 H new ATOM 304 N VAL A 28 -2.575 14.386 2.257 1.00 0.00 N ATOM 305 CA VAL A 28 -1.426 14.011 3.072 1.00 0.00 C ATOM 306 C VAL A 28 -0.750 12.758 2.526 1.00 0.00 C ATOM 307 O VAL A 28 -1.357 11.689 2.467 1.00 0.00 O ATOM 308 CB VAL A 28 -1.833 13.764 4.537 1.00 0.00 C ATOM 309 CG1 VAL A 28 -0.638 13.291 5.351 1.00 0.00 C ATOM 310 CG2 VAL A 28 -2.437 15.023 5.141 1.00 0.00 C ATOM 0 H VAL A 28 -3.356 13.731 2.303 1.00 0.00 H new ATOM 0 HA VAL A 28 -0.725 14.845 3.033 1.00 0.00 H new ATOM 0 HB VAL A 28 -2.589 12.980 4.559 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.945 13.122 6.383 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -0.255 12.362 4.929 1.00 0.00 H new ATOM 0 HG13 VAL A 28 0.144 14.050 5.325 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -2.719 14.831 6.176 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -1.705 15.830 5.108 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -3.321 15.312 4.572 1.00 0.00 H new ATOM 320 N SER A 29 0.510 12.898 2.127 1.00 0.00 N ATOM 321 CA SER A 29 1.268 11.778 1.582 1.00 0.00 C ATOM 322 C SER A 29 1.273 10.602 2.553 1.00 0.00 C ATOM 323 O SER A 29 2.000 10.605 3.546 1.00 0.00 O ATOM 324 CB SER A 29 2.704 12.208 1.276 1.00 0.00 C ATOM 325 OG SER A 29 3.284 12.875 2.384 1.00 0.00 O ATOM 0 H SER A 29 1.027 13.776 2.171 1.00 0.00 H new ATOM 0 HA SER A 29 0.786 11.461 0.657 1.00 0.00 H new ATOM 0 HB2 SER A 29 3.302 11.333 1.020 1.00 0.00 H new ATOM 0 HB3 SER A 29 2.713 12.865 0.407 1.00 0.00 H new ATOM 0 HG SER A 29 3.123 12.356 3.199 1.00 0.00 H new ATOM 331 N SER A 30 0.455 9.596 2.258 1.00 0.00 N ATOM 332 CA SER A 30 0.361 8.414 3.106 1.00 0.00 C ATOM 333 C SER A 30 1.138 7.248 2.501 1.00 0.00 C ATOM 334 O SER A 30 0.929 6.883 1.345 1.00 0.00 O ATOM 335 CB SER A 30 -1.103 8.017 3.304 1.00 0.00 C ATOM 336 OG SER A 30 -1.854 9.092 3.841 1.00 0.00 O ATOM 0 H SER A 30 -0.152 9.576 1.438 1.00 0.00 H new ATOM 0 HA SER A 30 0.799 8.657 4.074 1.00 0.00 H new ATOM 0 HB2 SER A 30 -1.532 7.710 2.350 1.00 0.00 H new ATOM 0 HB3 SER A 30 -1.163 7.158 3.972 1.00 0.00 H new ATOM 0 HG SER A 30 -1.745 9.883 3.273 1.00 0.00 H new ATOM 342 N GLU A 31 2.035 6.669 3.293 1.00 0.00 N ATOM 343 CA GLU A 31 2.844 5.545 2.835 1.00 0.00 C ATOM 344 C GLU A 31 2.886 4.440 3.887 1.00 0.00 C ATOM 345 O GLU A 31 2.328 4.583 4.975 1.00 0.00 O ATOM 346 CB GLU A 31 4.266 6.010 2.512 1.00 0.00 C ATOM 347 CG GLU A 31 5.050 6.464 3.731 1.00 0.00 C ATOM 348 CD GLU A 31 4.468 7.711 4.368 1.00 0.00 C ATOM 349 OE1 GLU A 31 4.178 8.675 3.627 1.00 0.00 O ATOM 350 OE2 GLU A 31 4.302 7.724 5.605 1.00 0.00 O ATOM 0 H GLU A 31 2.220 6.959 4.253 1.00 0.00 H new ATOM 0 HA GLU A 31 2.385 5.145 1.931 1.00 0.00 H new ATOM 0 HB2 GLU A 31 4.804 5.195 2.027 1.00 0.00 H new ATOM 0 HB3 GLU A 31 4.217 6.830 1.796 1.00 0.00 H new ATOM 0 HG2 GLU A 31 5.069 5.660 4.467 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.083 6.656 3.443 1.00 0.00 H new ATOM 357 N PHE A 32 3.549 3.338 3.553 1.00 0.00 N ATOM 358 CA PHE A 32 3.663 2.208 4.467 1.00 0.00 C ATOM 359 C PHE A 32 4.767 1.255 4.019 1.00 0.00 C ATOM 360 O PHE A 32 5.032 1.112 2.825 1.00 0.00 O ATOM 361 CB PHE A 32 2.331 1.459 4.553 1.00 0.00 C ATOM 362 CG PHE A 32 1.867 0.908 3.235 1.00 0.00 C ATOM 363 CD1 PHE A 32 2.384 -0.279 2.744 1.00 0.00 C ATOM 364 CD2 PHE A 32 0.912 1.579 2.487 1.00 0.00 C ATOM 365 CE1 PHE A 32 1.959 -0.789 1.532 1.00 0.00 C ATOM 366 CE2 PHE A 32 0.483 1.074 1.274 1.00 0.00 C ATOM 367 CZ PHE A 32 1.008 -0.111 0.796 1.00 0.00 C ATOM 0 H PHE A 32 4.016 3.204 2.656 1.00 0.00 H new ATOM 0 HA PHE A 32 3.920 2.595 5.453 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.429 0.640 5.266 1.00 0.00 H new ATOM 0 HB3 PHE A 32 1.569 2.133 4.945 1.00 0.00 H new ATOM 0 HD1 PHE A 32 3.129 -0.813 3.315 1.00 0.00 H new ATOM 0 HD2 PHE A 32 0.499 2.506 2.856 1.00 0.00 H new ATOM 0 HE1 PHE A 32 2.370 -1.716 1.161 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -0.262 1.605 0.700 1.00 0.00 H new ATOM 0 HZ PHE A 32 0.675 -0.506 -0.152 1.00 0.00 H new ATOM 377 N ILE A 33 5.408 0.606 4.985 1.00 0.00 N ATOM 378 CA ILE A 33 6.482 -0.334 4.691 1.00 0.00 C ATOM 379 C ILE A 33 5.983 -1.774 4.740 1.00 0.00 C ATOM 380 O ILE A 33 5.013 -2.083 5.432 1.00 0.00 O ATOM 381 CB ILE A 33 7.654 -0.175 5.678 1.00 0.00 C ATOM 382 CG1 ILE A 33 8.443 1.099 5.367 1.00 0.00 C ATOM 383 CG2 ILE A 33 8.563 -1.394 5.621 1.00 0.00 C ATOM 384 CD1 ILE A 33 9.650 1.294 6.257 1.00 0.00 C ATOM 0 H ILE A 33 5.202 0.714 5.978 1.00 0.00 H new ATOM 0 HA ILE A 33 6.832 -0.108 3.684 1.00 0.00 H new ATOM 0 HB ILE A 33 7.251 -0.093 6.687 1.00 0.00 H new ATOM 0 HG12 ILE A 33 8.769 1.070 4.327 1.00 0.00 H new ATOM 0 HG13 ILE A 33 7.783 1.960 5.470 1.00 0.00 H new ATOM 0 HG21 ILE A 33 9.386 -1.267 6.324 1.00 0.00 H new ATOM 0 HG22 ILE A 33 7.994 -2.285 5.886 1.00 0.00 H new ATOM 0 HG23 ILE A 33 8.961 -1.504 4.612 1.00 0.00 H new ATOM 0 HD11 ILE A 33 10.161 2.216 5.980 1.00 0.00 H new ATOM 0 HD12 ILE A 33 9.329 1.355 7.297 1.00 0.00 H new ATOM 0 HD13 ILE A 33 10.331 0.451 6.136 1.00 0.00 H new ATOM 396 N VAL A 34 6.653 -2.652 4.001 1.00 0.00 N ATOM 397 CA VAL A 34 6.280 -4.061 3.961 1.00 0.00 C ATOM 398 C VAL A 34 7.456 -4.952 4.343 1.00 0.00 C ATOM 399 O VAL A 34 8.372 -5.162 3.550 1.00 0.00 O ATOM 400 CB VAL A 34 5.773 -4.468 2.565 1.00 0.00 C ATOM 401 CG1 VAL A 34 5.329 -5.923 2.562 1.00 0.00 C ATOM 402 CG2 VAL A 34 4.640 -3.555 2.123 1.00 0.00 C ATOM 0 H VAL A 34 7.457 -2.412 3.421 1.00 0.00 H new ATOM 0 HA VAL A 34 5.476 -4.196 4.685 1.00 0.00 H new ATOM 0 HB VAL A 34 6.592 -4.362 1.854 1.00 0.00 H new ATOM 0 HG11 VAL A 34 4.974 -6.193 1.567 1.00 0.00 H new ATOM 0 HG12 VAL A 34 6.171 -6.561 2.832 1.00 0.00 H new ATOM 0 HG13 VAL A 34 4.524 -6.059 3.284 1.00 0.00 H new ATOM 0 HG21 VAL A 34 4.294 -3.857 1.135 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.816 -3.627 2.833 1.00 0.00 H new ATOM 0 HG23 VAL A 34 4.996 -2.526 2.084 1.00 0.00 H new ATOM 412 N ASN A 35 7.423 -5.475 5.565 1.00 0.00 N ATOM 413 CA ASN A 35 8.487 -6.345 6.053 1.00 0.00 C ATOM 414 C ASN A 35 8.453 -7.696 5.346 1.00 0.00 C ATOM 415 O ASN A 35 7.684 -8.584 5.715 1.00 0.00 O ATOM 416 CB ASN A 35 8.358 -6.544 7.565 1.00 0.00 C ATOM 417 CG ASN A 35 8.964 -7.855 8.028 1.00 0.00 C ATOM 418 OD1 ASN A 35 8.248 -8.811 8.328 1.00 0.00 O ATOM 419 ND2 ASN A 35 10.289 -7.905 8.091 1.00 0.00 N ATOM 0 H ASN A 35 6.671 -5.311 6.235 1.00 0.00 H new ATOM 0 HA ASN A 35 9.442 -5.866 5.836 1.00 0.00 H new ATOM 0 HB2 ASN A 35 8.848 -5.718 8.081 1.00 0.00 H new ATOM 0 HB3 ASN A 35 7.305 -6.515 7.844 1.00 0.00 H new ATOM 0 HD21 ASN A 35 10.753 -8.760 8.398 1.00 0.00 H new ATOM 0 HD22 ASN A 35 10.843 -7.088 7.833 1.00 0.00 H new ATOM 426 N THR A 36 9.292 -7.845 4.326 1.00 0.00 N ATOM 427 CA THR A 36 9.358 -9.087 3.566 1.00 0.00 C ATOM 428 C THR A 36 10.668 -9.822 3.826 1.00 0.00 C ATOM 429 O THR A 36 10.944 -10.856 3.215 1.00 0.00 O ATOM 430 CB THR A 36 9.220 -8.829 2.054 1.00 0.00 C ATOM 431 OG1 THR A 36 10.168 -7.840 1.637 1.00 0.00 O ATOM 432 CG2 THR A 36 7.812 -8.365 1.711 1.00 0.00 C ATOM 0 H THR A 36 9.935 -7.121 4.007 1.00 0.00 H new ATOM 0 HA THR A 36 8.525 -9.705 3.899 1.00 0.00 H new ATOM 0 HB THR A 36 9.416 -9.764 1.529 1.00 0.00 H new ATOM 0 HG1 THR A 36 10.075 -7.683 0.674 1.00 0.00 H new ATOM 0 HG21 THR A 36 7.738 -8.189 0.638 1.00 0.00 H new ATOM 0 HG22 THR A 36 7.095 -9.132 2.003 1.00 0.00 H new ATOM 0 HG23 THR A 36 7.593 -7.441 2.246 1.00 0.00 H new ATOM 440 N LEU A 37 11.472 -9.285 4.737 1.00 0.00 N ATOM 441 CA LEU A 37 12.754 -9.890 5.079 1.00 0.00 C ATOM 442 C LEU A 37 12.558 -11.286 5.664 1.00 0.00 C ATOM 443 O LEU A 37 13.239 -12.233 5.275 1.00 0.00 O ATOM 444 CB LEU A 37 13.507 -9.008 6.076 1.00 0.00 C ATOM 445 CG LEU A 37 13.613 -7.526 5.715 1.00 0.00 C ATOM 446 CD1 LEU A 37 14.103 -6.720 6.907 1.00 0.00 C ATOM 447 CD2 LEU A 37 14.538 -7.333 4.522 1.00 0.00 C ATOM 0 H LEU A 37 11.258 -8.431 5.252 1.00 0.00 H new ATOM 0 HA LEU A 37 13.342 -9.978 4.165 1.00 0.00 H new ATOM 0 HB2 LEU A 37 13.017 -9.091 7.046 1.00 0.00 H new ATOM 0 HB3 LEU A 37 14.515 -9.406 6.193 1.00 0.00 H new ATOM 0 HG LEU A 37 12.621 -7.166 5.443 1.00 0.00 H new ATOM 0 HD11 LEU A 37 14.172 -5.668 6.631 1.00 0.00 H new ATOM 0 HD12 LEU A 37 13.403 -6.833 7.735 1.00 0.00 H new ATOM 0 HD13 LEU A 37 15.086 -7.081 7.211 1.00 0.00 H new ATOM 0 HD21 LEU A 37 14.602 -6.272 4.279 1.00 0.00 H new ATOM 0 HD22 LEU A 37 15.531 -7.709 4.767 1.00 0.00 H new ATOM 0 HD23 LEU A 37 14.145 -7.879 3.664 1.00 0.00 H new ATOM 459 N ASN A 38 11.621 -11.403 6.599 1.00 0.00 N ATOM 460 CA ASN A 38 11.334 -12.683 7.236 1.00 0.00 C ATOM 461 C ASN A 38 11.053 -13.760 6.193 1.00 0.00 C ATOM 462 O ASN A 38 11.492 -14.901 6.329 1.00 0.00 O ATOM 463 CB ASN A 38 10.138 -12.549 8.182 1.00 0.00 C ATOM 464 CG ASN A 38 10.538 -12.030 9.549 1.00 0.00 C ATOM 465 OD1 ASN A 38 9.859 -12.282 10.544 1.00 0.00 O ATOM 466 ND2 ASN A 38 11.646 -11.299 9.604 1.00 0.00 N ATOM 0 H ASN A 38 11.048 -10.628 6.932 1.00 0.00 H new ATOM 0 HA ASN A 38 12.212 -12.979 7.810 1.00 0.00 H new ATOM 0 HB2 ASN A 38 9.403 -11.875 7.741 1.00 0.00 H new ATOM 0 HB3 ASN A 38 9.655 -13.520 8.292 1.00 0.00 H new ATOM 0 HD21 ASN A 38 11.964 -10.922 10.497 1.00 0.00 H new ATOM 0 HD22 ASN A 38 12.178 -11.115 8.754 1.00 0.00 H new ATOM 473 N ALA A 39 10.318 -13.388 5.150 1.00 0.00 N ATOM 474 CA ALA A 39 9.981 -14.320 4.081 1.00 0.00 C ATOM 475 C ALA A 39 11.237 -14.864 3.410 1.00 0.00 C ATOM 476 O ALA A 39 11.407 -16.075 3.279 1.00 0.00 O ATOM 477 CB ALA A 39 9.082 -13.644 3.056 1.00 0.00 C ATOM 0 H ALA A 39 9.944 -12.447 5.023 1.00 0.00 H new ATOM 0 HA ALA A 39 9.444 -15.160 4.521 1.00 0.00 H new ATOM 0 HB1 ALA A 39 8.838 -14.351 2.263 1.00 0.00 H new ATOM 0 HB2 ALA A 39 8.164 -13.311 3.540 1.00 0.00 H new ATOM 0 HB3 ALA A 39 9.599 -12.785 2.629 1.00 0.00 H new ATOM 483 N GLY A 40 12.115 -13.960 2.986 1.00 0.00 N ATOM 484 CA GLY A 40 13.344 -14.369 2.333 1.00 0.00 C ATOM 485 C GLY A 40 13.527 -13.714 0.978 1.00 0.00 C ATOM 486 O GLY A 40 14.443 -12.914 0.786 1.00 0.00 O ATOM 0 H GLY A 40 11.997 -12.952 3.083 1.00 0.00 H new ATOM 0 HA2 GLY A 40 14.191 -14.119 2.971 1.00 0.00 H new ATOM 0 HA3 GLY A 40 13.345 -15.452 2.212 1.00 0.00 H new ATOM 490 N SER A 41 12.654 -14.054 0.035 1.00 0.00 N ATOM 491 CA SER A 41 12.727 -13.497 -1.311 1.00 0.00 C ATOM 492 C SER A 41 11.435 -13.761 -2.078 1.00 0.00 C ATOM 493 O SER A 41 10.765 -14.770 -1.860 1.00 0.00 O ATOM 494 CB SER A 41 13.915 -14.092 -2.068 1.00 0.00 C ATOM 495 OG SER A 41 13.679 -15.449 -2.401 1.00 0.00 O ATOM 0 H SER A 41 11.888 -14.712 0.178 1.00 0.00 H new ATOM 0 HA SER A 41 12.864 -12.419 -1.225 1.00 0.00 H new ATOM 0 HB2 SER A 41 14.096 -13.517 -2.976 1.00 0.00 H new ATOM 0 HB3 SER A 41 14.815 -14.015 -1.458 1.00 0.00 H new ATOM 0 HG SER A 41 14.452 -15.806 -2.886 1.00 0.00 H new ATOM 501 N GLY A 42 11.092 -12.846 -2.980 1.00 0.00 N ATOM 502 CA GLY A 42 9.882 -12.997 -3.767 1.00 0.00 C ATOM 503 C GLY A 42 9.351 -11.672 -4.274 1.00 0.00 C ATOM 504 O GLY A 42 9.826 -10.610 -3.872 1.00 0.00 O ATOM 0 H GLY A 42 11.631 -12.003 -3.180 1.00 0.00 H new ATOM 0 HA2 GLY A 42 10.083 -13.652 -4.614 1.00 0.00 H new ATOM 0 HA3 GLY A 42 9.117 -13.484 -3.162 1.00 0.00 H new ATOM 508 N ALA A 43 8.362 -11.732 -5.160 1.00 0.00 N ATOM 509 CA ALA A 43 7.766 -10.527 -5.723 1.00 0.00 C ATOM 510 C ALA A 43 6.685 -9.969 -4.803 1.00 0.00 C ATOM 511 O ALA A 43 6.172 -10.673 -3.933 1.00 0.00 O ATOM 512 CB ALA A 43 7.191 -10.816 -7.102 1.00 0.00 C ATOM 0 H ALA A 43 7.957 -12.603 -5.503 1.00 0.00 H new ATOM 0 HA ALA A 43 8.549 -9.775 -5.819 1.00 0.00 H new ATOM 0 HB1 ALA A 43 6.749 -9.907 -7.510 1.00 0.00 H new ATOM 0 HB2 ALA A 43 7.986 -11.161 -7.763 1.00 0.00 H new ATOM 0 HB3 ALA A 43 6.425 -11.587 -7.022 1.00 0.00 H new ATOM 518 N LEU A 44 6.344 -8.700 -5.001 1.00 0.00 N ATOM 519 CA LEU A 44 5.323 -8.047 -4.189 1.00 0.00 C ATOM 520 C LEU A 44 4.335 -7.284 -5.065 1.00 0.00 C ATOM 521 O LEU A 44 4.723 -6.642 -6.041 1.00 0.00 O ATOM 522 CB LEU A 44 5.975 -7.093 -3.186 1.00 0.00 C ATOM 523 CG LEU A 44 5.059 -6.030 -2.578 1.00 0.00 C ATOM 524 CD1 LEU A 44 4.065 -6.668 -1.620 1.00 0.00 C ATOM 525 CD2 LEU A 44 5.879 -4.963 -1.867 1.00 0.00 C ATOM 0 H LEU A 44 6.759 -8.103 -5.716 1.00 0.00 H new ATOM 0 HA LEU A 44 4.777 -8.819 -3.646 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.400 -7.685 -2.375 1.00 0.00 H new ATOM 0 HB3 LEU A 44 6.805 -6.589 -3.681 1.00 0.00 H new ATOM 0 HG LEU A 44 4.501 -5.553 -3.384 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.421 -5.897 -1.197 1.00 0.00 H new ATOM 0 HD12 LEU A 44 3.456 -7.394 -2.158 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.605 -7.171 -0.817 1.00 0.00 H new ATOM 0 HD21 LEU A 44 5.211 -4.215 -1.440 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.463 -5.424 -1.071 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.551 -4.485 -2.580 1.00 0.00 H new ATOM 537 N SER A 45 3.056 -7.359 -4.710 1.00 0.00 N ATOM 538 CA SER A 45 2.012 -6.677 -5.465 1.00 0.00 C ATOM 539 C SER A 45 1.223 -5.729 -4.567 1.00 0.00 C ATOM 540 O SER A 45 0.789 -6.105 -3.477 1.00 0.00 O ATOM 541 CB SER A 45 1.067 -7.696 -6.104 1.00 0.00 C ATOM 542 OG SER A 45 1.527 -8.082 -7.388 1.00 0.00 O ATOM 0 H SER A 45 2.718 -7.885 -3.904 1.00 0.00 H new ATOM 0 HA SER A 45 2.490 -6.092 -6.251 1.00 0.00 H new ATOM 0 HB2 SER A 45 0.987 -8.574 -5.464 1.00 0.00 H new ATOM 0 HB3 SER A 45 0.067 -7.269 -6.185 1.00 0.00 H new ATOM 0 HG SER A 45 0.907 -8.735 -7.775 1.00 0.00 H new ATOM 548 N VAL A 46 1.040 -4.498 -5.032 1.00 0.00 N ATOM 549 CA VAL A 46 0.302 -3.495 -4.273 1.00 0.00 C ATOM 550 C VAL A 46 -0.729 -2.791 -5.149 1.00 0.00 C ATOM 551 O VAL A 46 -0.482 -2.524 -6.325 1.00 0.00 O ATOM 552 CB VAL A 46 1.248 -2.443 -3.666 1.00 0.00 C ATOM 553 CG1 VAL A 46 0.472 -1.463 -2.799 1.00 0.00 C ATOM 554 CG2 VAL A 46 2.351 -3.118 -2.864 1.00 0.00 C ATOM 0 H VAL A 46 1.393 -4.171 -5.931 1.00 0.00 H new ATOM 0 HA VAL A 46 -0.209 -4.021 -3.467 1.00 0.00 H new ATOM 0 HB VAL A 46 1.711 -1.884 -4.479 1.00 0.00 H new ATOM 0 HG11 VAL A 46 1.158 -0.727 -2.379 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -0.278 -0.955 -3.406 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -0.020 -2.003 -1.991 1.00 0.00 H new ATOM 0 HG21 VAL A 46 3.010 -2.359 -2.442 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.909 -3.703 -2.058 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.925 -3.776 -3.517 1.00 0.00 H new ATOM 564 N THR A 47 -1.886 -2.492 -4.567 1.00 0.00 N ATOM 565 CA THR A 47 -2.955 -1.819 -5.293 1.00 0.00 C ATOM 566 C THR A 47 -3.915 -1.120 -4.337 1.00 0.00 C ATOM 567 O THR A 47 -4.197 -1.623 -3.249 1.00 0.00 O ATOM 568 CB THR A 47 -3.749 -2.808 -6.168 1.00 0.00 C ATOM 569 OG1 THR A 47 -4.059 -3.987 -5.416 1.00 0.00 O ATOM 570 CG2 THR A 47 -2.958 -3.186 -7.411 1.00 0.00 C ATOM 0 H THR A 47 -2.106 -2.706 -3.594 1.00 0.00 H new ATOM 0 HA THR A 47 -2.481 -1.076 -5.935 1.00 0.00 H new ATOM 0 HB THR A 47 -4.674 -2.323 -6.479 1.00 0.00 H new ATOM 0 HG1 THR A 47 -4.565 -4.610 -5.978 1.00 0.00 H new ATOM 0 HG21 THR A 47 -3.539 -3.885 -8.013 1.00 0.00 H new ATOM 0 HG22 THR A 47 -2.749 -2.290 -7.996 1.00 0.00 H new ATOM 0 HG23 THR A 47 -2.019 -3.654 -7.116 1.00 0.00 H new ATOM 578 N ILE A 48 -4.414 0.040 -4.750 1.00 0.00 N ATOM 579 CA ILE A 48 -5.344 0.806 -3.929 1.00 0.00 C ATOM 580 C ILE A 48 -6.615 1.137 -4.703 1.00 0.00 C ATOM 581 O ILE A 48 -6.563 1.484 -5.884 1.00 0.00 O ATOM 582 CB ILE A 48 -4.706 2.115 -3.428 1.00 0.00 C ATOM 583 CG1 ILE A 48 -3.354 1.830 -2.770 1.00 0.00 C ATOM 584 CG2 ILE A 48 -5.637 2.819 -2.453 1.00 0.00 C ATOM 585 CD1 ILE A 48 -2.557 3.078 -2.462 1.00 0.00 C ATOM 0 H ILE A 48 -4.190 0.470 -5.647 1.00 0.00 H new ATOM 0 HA ILE A 48 -5.595 0.182 -3.071 1.00 0.00 H new ATOM 0 HB ILE A 48 -4.542 2.772 -4.282 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -3.518 1.276 -1.846 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -2.768 1.187 -3.427 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -5.172 3.742 -2.108 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -6.578 3.051 -2.952 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -5.829 2.169 -1.600 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -1.611 2.800 -1.997 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -2.361 3.622 -3.386 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -3.124 3.713 -1.780 1.00 0.00 H new ATOM 597 N ASP A 49 -7.755 1.030 -4.030 1.00 0.00 N ATOM 598 CA ASP A 49 -9.041 1.321 -4.654 1.00 0.00 C ATOM 599 C ASP A 49 -9.920 2.152 -3.724 1.00 0.00 C ATOM 600 O ASP A 49 -10.297 1.702 -2.643 1.00 0.00 O ATOM 601 CB ASP A 49 -9.757 0.022 -5.026 1.00 0.00 C ATOM 602 CG ASP A 49 -10.680 0.191 -6.217 1.00 0.00 C ATOM 603 OD1 ASP A 49 -10.218 0.701 -7.259 1.00 0.00 O ATOM 604 OD2 ASP A 49 -11.865 -0.187 -6.107 1.00 0.00 O ATOM 0 H ASP A 49 -7.815 0.744 -3.053 1.00 0.00 H new ATOM 0 HA ASP A 49 -8.855 1.897 -5.561 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -9.017 -0.746 -5.250 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -10.333 -0.330 -4.170 1.00 0.00 H new ATOM 609 N GLY A 50 -10.242 3.369 -4.153 1.00 0.00 N ATOM 610 CA GLY A 50 -11.073 4.244 -3.346 1.00 0.00 C ATOM 611 C GLY A 50 -12.015 5.085 -4.185 1.00 0.00 C ATOM 612 O GLY A 50 -12.211 4.836 -5.375 1.00 0.00 O ATOM 0 H GLY A 50 -9.942 3.764 -5.044 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -11.653 3.644 -2.645 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -10.436 4.900 -2.753 1.00 0.00 H new ATOM 616 N PRO A 51 -12.619 6.106 -3.560 1.00 0.00 N ATOM 617 CA PRO A 51 -13.556 7.006 -4.238 1.00 0.00 C ATOM 618 C PRO A 51 -12.863 7.909 -5.252 1.00 0.00 C ATOM 619 O PRO A 51 -13.512 8.513 -6.106 1.00 0.00 O ATOM 620 CB PRO A 51 -14.140 7.838 -3.093 1.00 0.00 C ATOM 621 CG PRO A 51 -13.096 7.806 -2.031 1.00 0.00 C ATOM 622 CD PRO A 51 -12.432 6.462 -2.143 1.00 0.00 C ATOM 0 HA PRO A 51 -14.304 6.458 -4.811 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -14.349 8.859 -3.412 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -15.080 7.417 -2.737 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -12.374 8.611 -2.169 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -13.539 7.941 -1.044 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -11.376 6.512 -1.877 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -12.893 5.730 -1.480 1.00 0.00 H new ATOM 630 N SER A 52 -11.540 7.996 -5.153 1.00 0.00 N ATOM 631 CA SER A 52 -10.759 8.828 -6.061 1.00 0.00 C ATOM 632 C SER A 52 -9.376 8.226 -6.295 1.00 0.00 C ATOM 633 O SER A 52 -8.566 8.123 -5.374 1.00 0.00 O ATOM 634 CB SER A 52 -10.621 10.244 -5.498 1.00 0.00 C ATOM 635 OG SER A 52 -10.524 10.224 -4.084 1.00 0.00 O ATOM 0 H SER A 52 -10.987 7.501 -4.453 1.00 0.00 H new ATOM 0 HA SER A 52 -11.284 8.873 -7.015 1.00 0.00 H new ATOM 0 HB2 SER A 52 -9.737 10.722 -5.920 1.00 0.00 H new ATOM 0 HB3 SER A 52 -11.481 10.843 -5.798 1.00 0.00 H new ATOM 0 HG SER A 52 -9.947 9.482 -3.806 1.00 0.00 H new ATOM 641 N LYS A 53 -9.114 7.829 -7.536 1.00 0.00 N ATOM 642 CA LYS A 53 -7.831 7.238 -7.895 1.00 0.00 C ATOM 643 C LYS A 53 -6.689 7.923 -7.152 1.00 0.00 C ATOM 644 O LYS A 53 -6.621 9.151 -7.094 1.00 0.00 O ATOM 645 CB LYS A 53 -7.604 7.339 -9.405 1.00 0.00 C ATOM 646 CG LYS A 53 -6.506 6.423 -9.918 1.00 0.00 C ATOM 647 CD LYS A 53 -6.381 6.496 -11.431 1.00 0.00 C ATOM 648 CE LYS A 53 -5.076 5.881 -11.913 1.00 0.00 C ATOM 649 NZ LYS A 53 -5.109 5.582 -13.371 1.00 0.00 N ATOM 0 H LYS A 53 -9.774 7.906 -8.310 1.00 0.00 H new ATOM 0 HA LYS A 53 -7.850 6.187 -7.606 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -8.534 7.101 -9.920 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -7.354 8.369 -9.658 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -5.556 6.699 -9.460 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -6.718 5.397 -9.618 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -7.221 5.977 -11.892 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -6.434 7.536 -11.752 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -4.253 6.563 -11.701 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -4.880 4.963 -11.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -4.202 5.164 -13.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -5.878 4.911 -13.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -5.270 6.461 -13.902 1.00 0.00 H new ATOM 663 N VAL A 54 -5.792 7.122 -6.585 1.00 0.00 N ATOM 664 CA VAL A 54 -4.651 7.652 -5.848 1.00 0.00 C ATOM 665 C VAL A 54 -3.348 7.402 -6.598 1.00 0.00 C ATOM 666 O VAL A 54 -3.198 6.389 -7.281 1.00 0.00 O ATOM 667 CB VAL A 54 -4.551 7.026 -4.444 1.00 0.00 C ATOM 668 CG1 VAL A 54 -5.647 7.566 -3.539 1.00 0.00 C ATOM 669 CG2 VAL A 54 -4.619 5.509 -4.531 1.00 0.00 C ATOM 0 H VAL A 54 -5.834 6.104 -6.622 1.00 0.00 H new ATOM 0 HA VAL A 54 -4.809 8.726 -5.749 1.00 0.00 H new ATOM 0 HB VAL A 54 -3.589 7.299 -4.011 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -5.560 7.112 -2.552 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -5.546 8.648 -3.451 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -6.621 7.326 -3.964 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -4.547 5.084 -3.530 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.565 5.213 -4.984 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -3.794 5.142 -5.141 1.00 0.00 H new ATOM 679 N GLN A 55 -2.407 8.332 -6.466 1.00 0.00 N ATOM 680 CA GLN A 55 -1.116 8.212 -7.132 1.00 0.00 C ATOM 681 C GLN A 55 -0.073 7.613 -6.193 1.00 0.00 C ATOM 682 O GLN A 55 0.538 8.323 -5.393 1.00 0.00 O ATOM 683 CB GLN A 55 -0.646 9.579 -7.629 1.00 0.00 C ATOM 684 CG GLN A 55 0.333 9.501 -8.790 1.00 0.00 C ATOM 685 CD GLN A 55 -0.352 9.227 -10.114 1.00 0.00 C ATOM 686 OE1 GLN A 55 -0.603 8.076 -10.470 1.00 0.00 O ATOM 687 NE2 GLN A 55 -0.659 10.288 -10.852 1.00 0.00 N ATOM 0 H GLN A 55 -2.515 9.176 -5.904 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.236 7.545 -7.986 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -1.514 10.163 -7.935 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -0.176 10.114 -6.804 1.00 0.00 H new ATOM 0 HG2 GLN A 55 0.885 10.438 -8.858 1.00 0.00 H new ATOM 0 HG3 GLN A 55 1.062 8.715 -8.593 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -0.432 11.225 -10.518 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -1.121 10.166 -11.753 1.00 0.00 H new ATOM 696 N LEU A 56 0.126 6.304 -6.296 1.00 0.00 N ATOM 697 CA LEU A 56 1.095 5.609 -5.456 1.00 0.00 C ATOM 698 C LEU A 56 2.472 5.592 -6.113 1.00 0.00 C ATOM 699 O LEU A 56 2.586 5.564 -7.339 1.00 0.00 O ATOM 700 CB LEU A 56 0.630 4.177 -5.184 1.00 0.00 C ATOM 701 CG LEU A 56 0.504 3.268 -6.407 1.00 0.00 C ATOM 702 CD1 LEU A 56 1.836 2.603 -6.717 1.00 0.00 C ATOM 703 CD2 LEU A 56 -0.578 2.221 -6.185 1.00 0.00 C ATOM 0 H LEU A 56 -0.371 5.702 -6.953 1.00 0.00 H new ATOM 0 HA LEU A 56 1.170 6.146 -4.510 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.328 3.717 -4.484 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.339 4.219 -4.686 1.00 0.00 H new ATOM 0 HG LEU A 56 0.219 3.880 -7.263 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.727 1.960 -7.590 1.00 0.00 H new ATOM 0 HD12 LEU A 56 2.586 3.368 -6.921 1.00 0.00 H new ATOM 0 HD13 LEU A 56 2.151 2.004 -5.863 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.653 1.583 -7.066 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.323 1.613 -5.317 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -1.534 2.716 -6.013 1.00 0.00 H new ATOM 715 N ASP A 57 3.515 5.607 -5.290 1.00 0.00 N ATOM 716 CA ASP A 57 4.884 5.590 -5.791 1.00 0.00 C ATOM 717 C ASP A 57 5.698 4.493 -5.110 1.00 0.00 C ATOM 718 O ASP A 57 6.045 4.604 -3.934 1.00 0.00 O ATOM 719 CB ASP A 57 5.549 6.949 -5.566 1.00 0.00 C ATOM 720 CG ASP A 57 5.372 7.882 -6.748 1.00 0.00 C ATOM 721 OD1 ASP A 57 5.112 7.384 -7.864 1.00 0.00 O ATOM 722 OD2 ASP A 57 5.493 9.110 -6.558 1.00 0.00 O ATOM 0 H ASP A 57 3.438 5.631 -4.273 1.00 0.00 H new ATOM 0 HA ASP A 57 4.851 5.383 -6.861 1.00 0.00 H new ATOM 0 HB2 ASP A 57 5.128 7.413 -4.674 1.00 0.00 H new ATOM 0 HB3 ASP A 57 6.613 6.803 -5.378 1.00 0.00 H new ATOM 727 N CYS A 58 5.997 3.436 -5.857 1.00 0.00 N ATOM 728 CA CYS A 58 6.769 2.318 -5.325 1.00 0.00 C ATOM 729 C CYS A 58 8.243 2.686 -5.200 1.00 0.00 C ATOM 730 O CYS A 58 8.806 3.343 -6.076 1.00 0.00 O ATOM 731 CB CYS A 58 6.612 1.090 -6.223 1.00 0.00 C ATOM 732 SG CYS A 58 7.595 -0.335 -5.704 1.00 0.00 S ATOM 0 H CYS A 58 5.717 3.329 -6.832 1.00 0.00 H new ATOM 0 HA CYS A 58 6.386 2.084 -4.332 1.00 0.00 H new ATOM 0 HB2 CYS A 58 5.561 0.803 -6.247 1.00 0.00 H new ATOM 0 HB3 CYS A 58 6.892 1.360 -7.241 1.00 0.00 H new ATOM 0 HG CYS A 58 7.393 -1.323 -6.524 1.00 0.00 H new ATOM 738 N ARG A 59 8.863 2.261 -4.103 1.00 0.00 N ATOM 739 CA ARG A 59 10.271 2.548 -3.862 1.00 0.00 C ATOM 740 C ARG A 59 10.917 1.443 -3.030 1.00 0.00 C ATOM 741 O ARG A 59 10.235 0.542 -2.543 1.00 0.00 O ATOM 742 CB ARG A 59 10.424 3.893 -3.149 1.00 0.00 C ATOM 743 CG ARG A 59 10.510 5.078 -4.097 1.00 0.00 C ATOM 744 CD ARG A 59 11.156 6.281 -3.428 1.00 0.00 C ATOM 745 NE ARG A 59 12.613 6.232 -3.501 1.00 0.00 N ATOM 746 CZ ARG A 59 13.410 7.089 -2.872 1.00 0.00 C ATOM 747 NH1 ARG A 59 12.893 8.055 -2.125 1.00 0.00 N ATOM 748 NH2 ARG A 59 14.728 6.979 -2.988 1.00 0.00 N ATOM 0 H ARG A 59 8.412 1.717 -3.368 1.00 0.00 H new ATOM 0 HA ARG A 59 10.777 2.596 -4.827 1.00 0.00 H new ATOM 0 HB2 ARG A 59 9.578 4.037 -2.477 1.00 0.00 H new ATOM 0 HB3 ARG A 59 11.321 3.867 -2.531 1.00 0.00 H new ATOM 0 HG2 ARG A 59 11.086 4.798 -4.979 1.00 0.00 H new ATOM 0 HG3 ARG A 59 9.510 5.344 -4.440 1.00 0.00 H new ATOM 0 HD2 ARG A 59 10.800 7.195 -3.904 1.00 0.00 H new ATOM 0 HD3 ARG A 59 10.847 6.324 -2.384 1.00 0.00 H new ATOM 0 HE ARG A 59 13.043 5.500 -4.066 1.00 0.00 H new ATOM 0 HH11 ARG A 59 11.881 8.142 -2.032 1.00 0.00 H new ATOM 0 HH12 ARG A 59 13.507 8.711 -1.643 1.00 0.00 H new ATOM 0 HH21 ARG A 59 15.129 6.236 -3.560 1.00 0.00 H new ATOM 0 HH22 ARG A 59 15.339 7.637 -2.505 1.00 0.00 H new ATOM 762 N GLU A 60 12.234 1.521 -2.872 1.00 0.00 N ATOM 763 CA GLU A 60 12.971 0.527 -2.101 1.00 0.00 C ATOM 764 C GLU A 60 13.192 1.005 -0.669 1.00 0.00 C ATOM 765 O GLU A 60 13.335 2.202 -0.418 1.00 0.00 O ATOM 766 CB GLU A 60 14.316 0.228 -2.765 1.00 0.00 C ATOM 767 CG GLU A 60 14.193 -0.525 -4.079 1.00 0.00 C ATOM 768 CD GLU A 60 15.522 -1.066 -4.568 1.00 0.00 C ATOM 769 OE1 GLU A 60 16.101 -1.930 -3.876 1.00 0.00 O ATOM 770 OE2 GLU A 60 15.983 -0.627 -5.642 1.00 0.00 O ATOM 0 H GLU A 60 12.813 2.262 -3.268 1.00 0.00 H new ATOM 0 HA GLU A 60 12.378 -0.387 -2.073 1.00 0.00 H new ATOM 0 HB2 GLU A 60 14.841 1.167 -2.942 1.00 0.00 H new ATOM 0 HB3 GLU A 60 14.929 -0.355 -2.078 1.00 0.00 H new ATOM 0 HG2 GLU A 60 13.492 -1.351 -3.956 1.00 0.00 H new ATOM 0 HG3 GLU A 60 13.774 0.138 -4.836 1.00 0.00 H new ATOM 777 N CYS A 61 13.220 0.061 0.266 1.00 0.00 N ATOM 778 CA CYS A 61 13.423 0.385 1.674 1.00 0.00 C ATOM 779 C CYS A 61 14.240 -0.700 2.368 1.00 0.00 C ATOM 780 O CYS A 61 14.216 -1.870 1.987 1.00 0.00 O ATOM 781 CB CYS A 61 12.077 0.556 2.378 1.00 0.00 C ATOM 782 SG CYS A 61 11.141 -0.979 2.566 1.00 0.00 S ATOM 0 H CYS A 61 13.105 -0.934 0.075 1.00 0.00 H new ATOM 0 HA CYS A 61 13.976 1.323 1.730 1.00 0.00 H new ATOM 0 HB2 CYS A 61 12.247 0.988 3.364 1.00 0.00 H new ATOM 0 HB3 CYS A 61 11.474 1.270 1.817 1.00 0.00 H new ATOM 0 HG CYS A 61 11.119 -1.323 3.819 1.00 0.00 H new ATOM 788 N PRO A 62 14.983 -0.304 3.412 1.00 0.00 N ATOM 789 CA PRO A 62 15.823 -1.226 4.182 1.00 0.00 C ATOM 790 C PRO A 62 14.999 -2.203 5.014 1.00 0.00 C ATOM 791 O PRO A 62 15.549 -3.036 5.734 1.00 0.00 O ATOM 792 CB PRO A 62 16.630 -0.297 5.092 1.00 0.00 C ATOM 793 CG PRO A 62 15.787 0.923 5.230 1.00 0.00 C ATOM 794 CD PRO A 62 15.061 1.076 3.922 1.00 0.00 C ATOM 0 HA PRO A 62 16.439 -1.852 3.536 1.00 0.00 H new ATOM 0 HB2 PRO A 62 16.820 -0.759 6.061 1.00 0.00 H new ATOM 0 HB3 PRO A 62 17.601 -0.060 4.656 1.00 0.00 H new ATOM 0 HG2 PRO A 62 15.084 0.820 6.057 1.00 0.00 H new ATOM 0 HG3 PRO A 62 16.400 1.799 5.441 1.00 0.00 H new ATOM 0 HD2 PRO A 62 14.071 1.510 4.060 1.00 0.00 H new ATOM 0 HD3 PRO A 62 15.602 1.728 3.236 1.00 0.00 H new ATOM 802 N GLU A 63 13.678 -2.095 4.909 1.00 0.00 N ATOM 803 CA GLU A 63 12.780 -2.970 5.653 1.00 0.00 C ATOM 804 C GLU A 63 11.937 -3.818 4.705 1.00 0.00 C ATOM 805 O GLU A 63 11.023 -4.522 5.130 1.00 0.00 O ATOM 806 CB GLU A 63 11.868 -2.145 6.564 1.00 0.00 C ATOM 807 CG GLU A 63 12.535 -1.703 7.855 1.00 0.00 C ATOM 808 CD GLU A 63 11.555 -1.099 8.842 1.00 0.00 C ATOM 809 OE1 GLU A 63 10.422 -0.775 8.428 1.00 0.00 O ATOM 810 OE2 GLU A 63 11.920 -0.950 10.026 1.00 0.00 O ATOM 0 H GLU A 63 13.207 -1.411 4.317 1.00 0.00 H new ATOM 0 HA GLU A 63 13.388 -3.636 6.265 1.00 0.00 H new ATOM 0 HB2 GLU A 63 11.527 -1.264 6.021 1.00 0.00 H new ATOM 0 HB3 GLU A 63 10.982 -2.733 6.805 1.00 0.00 H new ATOM 0 HG2 GLU A 63 13.028 -2.559 8.316 1.00 0.00 H new ATOM 0 HG3 GLU A 63 13.311 -0.973 7.627 1.00 0.00 H new ATOM 817 N GLY A 64 12.253 -3.745 3.415 1.00 0.00 N ATOM 818 CA GLY A 64 11.517 -4.510 2.426 1.00 0.00 C ATOM 819 C GLY A 64 11.040 -3.654 1.269 1.00 0.00 C ATOM 820 O GLY A 64 11.819 -3.310 0.380 1.00 0.00 O ATOM 0 H GLY A 64 13.006 -3.169 3.038 1.00 0.00 H new ATOM 0 HA2 GLY A 64 12.151 -5.310 2.045 1.00 0.00 H new ATOM 0 HA3 GLY A 64 10.658 -4.983 2.902 1.00 0.00 H new ATOM 824 N HIS A 65 9.756 -3.311 1.279 1.00 0.00 N ATOM 825 CA HIS A 65 9.176 -2.491 0.221 1.00 0.00 C ATOM 826 C HIS A 65 8.321 -1.372 0.808 1.00 0.00 C ATOM 827 O HIS A 65 7.677 -1.546 1.842 1.00 0.00 O ATOM 828 CB HIS A 65 8.333 -3.354 -0.718 1.00 0.00 C ATOM 829 CG HIS A 65 9.135 -4.344 -1.504 1.00 0.00 C ATOM 830 ND1 HIS A 65 9.731 -4.042 -2.711 1.00 0.00 N ATOM 831 CD2 HIS A 65 9.440 -5.638 -1.250 1.00 0.00 C ATOM 832 CE1 HIS A 65 10.366 -5.107 -3.165 1.00 0.00 C ATOM 833 NE2 HIS A 65 10.206 -6.089 -2.297 1.00 0.00 N ATOM 0 H HIS A 65 9.098 -3.588 2.007 1.00 0.00 H new ATOM 0 HA HIS A 65 9.992 -2.042 -0.345 1.00 0.00 H new ATOM 0 HB2 HIS A 65 7.584 -3.888 -0.133 1.00 0.00 H new ATOM 0 HB3 HIS A 65 7.794 -2.705 -1.409 1.00 0.00 H new ATOM 0 HD2 HIS A 65 9.137 -6.210 -0.385 1.00 0.00 H new ATOM 0 HE1 HIS A 65 10.922 -5.165 -4.089 1.00 0.00 H new ATOM 0 HE2 HIS A 65 10.589 -7.030 -2.389 1.00 0.00 H new ATOM 842 N VAL A 66 8.322 -0.222 0.141 1.00 0.00 N ATOM 843 CA VAL A 66 7.547 0.926 0.596 1.00 0.00 C ATOM 844 C VAL A 66 6.755 1.545 -0.551 1.00 0.00 C ATOM 845 O VAL A 66 7.199 1.541 -1.699 1.00 0.00 O ATOM 846 CB VAL A 66 8.453 2.004 1.220 1.00 0.00 C ATOM 847 CG1 VAL A 66 9.277 2.697 0.145 1.00 0.00 C ATOM 848 CG2 VAL A 66 7.622 3.012 1.999 1.00 0.00 C ATOM 0 H VAL A 66 8.851 -0.061 -0.716 1.00 0.00 H new ATOM 0 HA VAL A 66 6.856 0.559 1.355 1.00 0.00 H new ATOM 0 HB VAL A 66 9.140 1.520 1.914 1.00 0.00 H new ATOM 0 HG11 VAL A 66 9.911 3.455 0.605 1.00 0.00 H new ATOM 0 HG12 VAL A 66 9.901 1.963 -0.365 1.00 0.00 H new ATOM 0 HG13 VAL A 66 8.610 3.170 -0.576 1.00 0.00 H new ATOM 0 HG21 VAL A 66 8.278 3.766 2.433 1.00 0.00 H new ATOM 0 HG22 VAL A 66 6.910 3.493 1.328 1.00 0.00 H new ATOM 0 HG23 VAL A 66 7.081 2.500 2.795 1.00 0.00 H new ATOM 858 N VAL A 67 5.580 2.077 -0.232 1.00 0.00 N ATOM 859 CA VAL A 67 4.726 2.701 -1.236 1.00 0.00 C ATOM 860 C VAL A 67 4.107 3.990 -0.705 1.00 0.00 C ATOM 861 O VAL A 67 3.373 3.979 0.284 1.00 0.00 O ATOM 862 CB VAL A 67 3.600 1.751 -1.685 1.00 0.00 C ATOM 863 CG1 VAL A 67 2.594 2.488 -2.555 1.00 0.00 C ATOM 864 CG2 VAL A 67 4.178 0.553 -2.423 1.00 0.00 C ATOM 0 H VAL A 67 5.197 2.089 0.713 1.00 0.00 H new ATOM 0 HA VAL A 67 5.360 2.931 -2.093 1.00 0.00 H new ATOM 0 HB VAL A 67 3.080 1.388 -0.799 1.00 0.00 H new ATOM 0 HG11 VAL A 67 1.806 1.800 -2.862 1.00 0.00 H new ATOM 0 HG12 VAL A 67 2.157 3.311 -1.989 1.00 0.00 H new ATOM 0 HG13 VAL A 67 3.097 2.882 -3.438 1.00 0.00 H new ATOM 0 HG21 VAL A 67 3.369 -0.108 -2.733 1.00 0.00 H new ATOM 0 HG22 VAL A 67 4.724 0.896 -3.302 1.00 0.00 H new ATOM 0 HG23 VAL A 67 4.856 0.012 -1.763 1.00 0.00 H new ATOM 874 N THR A 68 4.406 5.101 -1.371 1.00 0.00 N ATOM 875 CA THR A 68 3.880 6.399 -0.967 1.00 0.00 C ATOM 876 C THR A 68 2.764 6.854 -1.900 1.00 0.00 C ATOM 877 O THR A 68 2.937 6.892 -3.119 1.00 0.00 O ATOM 878 CB THR A 68 4.985 7.471 -0.945 1.00 0.00 C ATOM 879 OG1 THR A 68 6.048 7.061 -0.078 1.00 0.00 O ATOM 880 CG2 THR A 68 4.431 8.810 -0.479 1.00 0.00 C ATOM 0 H THR A 68 5.010 5.128 -2.193 1.00 0.00 H new ATOM 0 HA THR A 68 3.481 6.279 0.040 1.00 0.00 H new ATOM 0 HB THR A 68 5.368 7.587 -1.959 1.00 0.00 H new ATOM 0 HG1 THR A 68 6.747 7.747 -0.071 1.00 0.00 H new ATOM 0 HG21 THR A 68 5.230 9.552 -0.472 1.00 0.00 H new ATOM 0 HG22 THR A 68 3.642 9.133 -1.158 1.00 0.00 H new ATOM 0 HG23 THR A 68 4.024 8.705 0.527 1.00 0.00 H new ATOM 888 N TYR A 69 1.619 7.200 -1.322 1.00 0.00 N ATOM 889 CA TYR A 69 0.474 7.651 -2.103 1.00 0.00 C ATOM 890 C TYR A 69 -0.153 8.895 -1.481 1.00 0.00 C ATOM 891 O TYR A 69 0.068 9.197 -0.308 1.00 0.00 O ATOM 892 CB TYR A 69 -0.570 6.538 -2.207 1.00 0.00 C ATOM 893 CG TYR A 69 -1.338 6.306 -0.926 1.00 0.00 C ATOM 894 CD1 TYR A 69 -2.344 7.178 -0.528 1.00 0.00 C ATOM 895 CD2 TYR A 69 -1.057 5.215 -0.112 1.00 0.00 C ATOM 896 CE1 TYR A 69 -3.047 6.971 0.643 1.00 0.00 C ATOM 897 CE2 TYR A 69 -1.756 4.999 1.060 1.00 0.00 C ATOM 898 CZ TYR A 69 -2.750 5.880 1.433 1.00 0.00 C ATOM 899 OH TYR A 69 -3.448 5.669 2.600 1.00 0.00 O ATOM 0 H TYR A 69 1.459 7.177 -0.315 1.00 0.00 H new ATOM 0 HA TYR A 69 0.826 7.904 -3.103 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -1.273 6.784 -3.003 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -0.074 5.612 -2.496 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -2.580 8.032 -1.145 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -0.279 4.524 -0.401 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -3.825 7.660 0.938 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -1.526 4.146 1.680 1.00 0.00 H new ATOM 0 HH TYR A 69 -3.095 4.875 3.053 1.00 0.00 H new ATOM 909 N THR A 70 -0.939 9.615 -2.277 1.00 0.00 N ATOM 910 CA THR A 70 -1.599 10.826 -1.807 1.00 0.00 C ATOM 911 C THR A 70 -3.097 10.780 -2.085 1.00 0.00 C ATOM 912 O THR A 70 -3.536 10.659 -3.229 1.00 0.00 O ATOM 913 CB THR A 70 -1.003 12.083 -2.469 1.00 0.00 C ATOM 914 OG1 THR A 70 0.395 12.176 -2.176 1.00 0.00 O ATOM 915 CG2 THR A 70 -1.712 13.338 -1.983 1.00 0.00 C ATOM 0 H THR A 70 -1.133 9.379 -3.250 1.00 0.00 H new ATOM 0 HA THR A 70 -1.434 10.878 -0.731 1.00 0.00 H new ATOM 0 HB THR A 70 -1.143 11.999 -3.547 1.00 0.00 H new ATOM 0 HG1 THR A 70 0.766 12.977 -2.602 1.00 0.00 H new ATOM 0 HG21 THR A 70 -1.274 14.213 -2.464 1.00 0.00 H new ATOM 0 HG22 THR A 70 -2.771 13.278 -2.234 1.00 0.00 H new ATOM 0 HG23 THR A 70 -1.600 13.424 -0.902 1.00 0.00 H new ATOM 923 N PRO A 71 -3.901 10.879 -1.017 1.00 0.00 N ATOM 924 CA PRO A 71 -5.363 10.853 -1.122 1.00 0.00 C ATOM 925 C PRO A 71 -5.920 12.110 -1.781 1.00 0.00 C ATOM 926 O PRO A 71 -5.300 13.172 -1.737 1.00 0.00 O ATOM 927 CB PRO A 71 -5.822 10.765 0.336 1.00 0.00 C ATOM 928 CG PRO A 71 -4.707 11.366 1.121 1.00 0.00 C ATOM 929 CD PRO A 71 -3.446 11.026 0.376 1.00 0.00 C ATOM 0 HA PRO A 71 -5.712 10.028 -1.744 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -6.754 11.309 0.491 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -6.003 9.732 0.632 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -4.829 12.446 1.209 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -4.682 10.964 2.134 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -2.698 11.812 0.473 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -2.994 10.107 0.750 1.00 0.00 H new ATOM 937 N MET A 72 -7.094 11.982 -2.391 1.00 0.00 N ATOM 938 CA MET A 72 -7.735 13.110 -3.057 1.00 0.00 C ATOM 939 C MET A 72 -9.133 13.351 -2.495 1.00 0.00 C ATOM 940 O MET A 72 -9.672 14.452 -2.600 1.00 0.00 O ATOM 941 CB MET A 72 -7.815 12.860 -4.565 1.00 0.00 C ATOM 942 CG MET A 72 -6.456 12.715 -5.229 1.00 0.00 C ATOM 943 SD MET A 72 -6.471 13.223 -6.959 1.00 0.00 S ATOM 944 CE MET A 72 -7.835 12.247 -7.587 1.00 0.00 C ATOM 0 H MET A 72 -7.620 11.109 -2.438 1.00 0.00 H new ATOM 0 HA MET A 72 -7.131 13.999 -2.874 1.00 0.00 H new ATOM 0 HB2 MET A 72 -8.397 11.956 -4.745 1.00 0.00 H new ATOM 0 HB3 MET A 72 -8.353 13.684 -5.034 1.00 0.00 H new ATOM 0 HG2 MET A 72 -5.725 13.313 -4.685 1.00 0.00 H new ATOM 0 HG3 MET A 72 -6.132 11.676 -5.162 1.00 0.00 H new ATOM 0 HE1 MET A 72 -7.681 12.047 -8.647 1.00 0.00 H new ATOM 0 HE2 MET A 72 -7.888 11.304 -7.043 1.00 0.00 H new ATOM 0 HE3 MET A 72 -8.767 12.796 -7.453 1.00 0.00 H new ATOM 954 N ALA A 73 -9.713 12.314 -1.900 1.00 0.00 N ATOM 955 CA ALA A 73 -11.047 12.414 -1.321 1.00 0.00 C ATOM 956 C ALA A 73 -11.177 11.529 -0.086 1.00 0.00 C ATOM 957 O ALA A 73 -10.558 10.469 0.016 1.00 0.00 O ATOM 958 CB ALA A 73 -12.100 12.041 -2.353 1.00 0.00 C ATOM 0 H ALA A 73 -9.280 11.395 -1.806 1.00 0.00 H new ATOM 0 HA ALA A 73 -11.206 13.448 -1.014 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -13.091 12.120 -1.906 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -12.031 12.718 -3.205 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -11.934 11.017 -2.689 1.00 0.00 H new ATOM 964 N PRO A 74 -11.999 11.972 0.877 1.00 0.00 N ATOM 965 CA PRO A 74 -12.229 11.234 2.123 1.00 0.00 C ATOM 966 C PRO A 74 -13.022 9.951 1.899 1.00 0.00 C ATOM 967 O PRO A 74 -14.070 9.962 1.254 1.00 0.00 O ATOM 968 CB PRO A 74 -13.033 12.219 2.975 1.00 0.00 C ATOM 969 CG PRO A 74 -13.710 13.108 1.989 1.00 0.00 C ATOM 970 CD PRO A 74 -12.768 13.226 0.823 1.00 0.00 C ATOM 0 HA PRO A 74 -11.296 10.913 2.585 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -13.757 11.700 3.603 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -12.384 12.788 3.641 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -14.666 12.688 1.677 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -13.918 14.086 2.423 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -13.306 13.327 -0.120 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -12.121 14.098 0.916 1.00 0.00 H new ATOM 978 N GLY A 75 -12.516 8.846 2.437 1.00 0.00 N ATOM 979 CA GLY A 75 -13.191 7.570 2.285 1.00 0.00 C ATOM 980 C GLY A 75 -12.330 6.403 2.724 1.00 0.00 C ATOM 981 O GLY A 75 -11.321 6.588 3.404 1.00 0.00 O ATOM 0 H GLY A 75 -11.650 8.811 2.976 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -14.112 7.578 2.868 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -13.476 7.435 1.242 1.00 0.00 H new ATOM 985 N ASN A 76 -12.729 5.196 2.336 1.00 0.00 N ATOM 986 CA ASN A 76 -11.987 3.993 2.695 1.00 0.00 C ATOM 987 C ASN A 76 -11.335 3.368 1.466 1.00 0.00 C ATOM 988 O ASN A 76 -12.020 2.944 0.535 1.00 0.00 O ATOM 989 CB ASN A 76 -12.915 2.978 3.366 1.00 0.00 C ATOM 990 CG ASN A 76 -13.862 3.627 4.357 1.00 0.00 C ATOM 991 OD1 ASN A 76 -13.549 3.751 5.541 1.00 0.00 O ATOM 992 ND2 ASN A 76 -15.027 4.045 3.876 1.00 0.00 N ATOM 0 H ASN A 76 -13.562 5.025 1.773 1.00 0.00 H new ATOM 0 HA ASN A 76 -11.202 4.276 3.396 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -13.493 2.458 2.602 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -12.316 2.226 3.879 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -15.705 4.490 4.495 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -15.244 3.922 2.887 1.00 0.00 H new ATOM 999 N TYR A 77 -10.008 3.313 1.470 1.00 0.00 N ATOM 1000 CA TYR A 77 -9.263 2.741 0.355 1.00 0.00 C ATOM 1001 C TYR A 77 -8.845 1.306 0.658 1.00 0.00 C ATOM 1002 O TYR A 77 -8.365 1.003 1.751 1.00 0.00 O ATOM 1003 CB TYR A 77 -8.027 3.590 0.051 1.00 0.00 C ATOM 1004 CG TYR A 77 -8.354 4.953 -0.517 1.00 0.00 C ATOM 1005 CD1 TYR A 77 -8.821 5.974 0.302 1.00 0.00 C ATOM 1006 CD2 TYR A 77 -8.196 5.220 -1.871 1.00 0.00 C ATOM 1007 CE1 TYR A 77 -9.122 7.221 -0.213 1.00 0.00 C ATOM 1008 CE2 TYR A 77 -8.492 6.464 -2.394 1.00 0.00 C ATOM 1009 CZ TYR A 77 -8.955 7.461 -1.561 1.00 0.00 C ATOM 1010 OH TYR A 77 -9.253 8.701 -2.078 1.00 0.00 O ATOM 0 H TYR A 77 -9.426 3.658 2.233 1.00 0.00 H new ATOM 0 HA TYR A 77 -9.915 2.734 -0.518 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -7.449 3.716 0.966 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -7.393 3.054 -0.655 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -8.951 5.790 1.358 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -7.835 4.441 -2.527 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -9.486 8.003 0.437 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -8.362 6.655 -3.449 1.00 0.00 H new ATOM 0 HH TYR A 77 -9.673 9.252 -1.385 1.00 0.00 H new ATOM 1020 N LEU A 78 -9.031 0.424 -0.319 1.00 0.00 N ATOM 1021 CA LEU A 78 -8.673 -0.981 -0.159 1.00 0.00 C ATOM 1022 C LEU A 78 -7.233 -1.230 -0.598 1.00 0.00 C ATOM 1023 O LEU A 78 -6.927 -1.220 -1.791 1.00 0.00 O ATOM 1024 CB LEU A 78 -9.624 -1.865 -0.968 1.00 0.00 C ATOM 1025 CG LEU A 78 -9.806 -3.295 -0.460 1.00 0.00 C ATOM 1026 CD1 LEU A 78 -8.468 -4.015 -0.402 1.00 0.00 C ATOM 1027 CD2 LEU A 78 -10.473 -3.295 0.908 1.00 0.00 C ATOM 0 H LEU A 78 -9.427 0.657 -1.229 1.00 0.00 H new ATOM 0 HA LEU A 78 -8.760 -1.234 0.898 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -10.601 -1.383 -0.995 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -9.262 -1.909 -1.995 1.00 0.00 H new ATOM 0 HG LEU A 78 -10.453 -3.828 -1.157 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -8.617 -5.032 -0.038 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -8.029 -4.047 -1.399 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -7.797 -3.483 0.273 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -10.594 -4.322 1.254 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -9.852 -2.745 1.615 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -11.451 -2.818 0.836 1.00 0.00 H new ATOM 1039 N ILE A 79 -6.355 -1.454 0.373 1.00 0.00 N ATOM 1040 CA ILE A 79 -4.948 -1.708 0.086 1.00 0.00 C ATOM 1041 C ILE A 79 -4.663 -3.205 0.018 1.00 0.00 C ATOM 1042 O ILE A 79 -4.561 -3.875 1.045 1.00 0.00 O ATOM 1043 CB ILE A 79 -4.033 -1.071 1.148 1.00 0.00 C ATOM 1044 CG1 ILE A 79 -4.181 0.452 1.133 1.00 0.00 C ATOM 1045 CG2 ILE A 79 -2.585 -1.470 0.907 1.00 0.00 C ATOM 1046 CD1 ILE A 79 -3.593 1.129 2.351 1.00 0.00 C ATOM 0 H ILE A 79 -6.592 -1.465 1.365 1.00 0.00 H new ATOM 0 HA ILE A 79 -4.737 -1.255 -0.883 1.00 0.00 H new ATOM 0 HB ILE A 79 -4.332 -1.437 2.130 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -3.698 0.847 0.239 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -5.239 0.705 1.062 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -1.950 -1.012 1.666 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -2.492 -2.555 0.963 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -2.273 -1.130 -0.080 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -3.734 2.207 2.272 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -4.093 0.762 3.248 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -2.528 0.906 2.412 1.00 0.00 H new ATOM 1058 N ALA A 80 -4.535 -3.722 -1.199 1.00 0.00 N ATOM 1059 CA ALA A 80 -4.258 -5.139 -1.402 1.00 0.00 C ATOM 1060 C ALA A 80 -2.760 -5.391 -1.537 1.00 0.00 C ATOM 1061 O ALA A 80 -2.092 -4.786 -2.375 1.00 0.00 O ATOM 1062 CB ALA A 80 -4.994 -5.650 -2.631 1.00 0.00 C ATOM 0 H ALA A 80 -4.619 -3.181 -2.060 1.00 0.00 H new ATOM 0 HA ALA A 80 -4.614 -5.683 -0.527 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -4.778 -6.709 -2.770 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -6.067 -5.513 -2.496 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -4.665 -5.094 -3.509 1.00 0.00 H new ATOM 1068 N ILE A 81 -2.238 -6.288 -0.706 1.00 0.00 N ATOM 1069 CA ILE A 81 -0.819 -6.620 -0.733 1.00 0.00 C ATOM 1070 C ILE A 81 -0.609 -8.128 -0.810 1.00 0.00 C ATOM 1071 O ILE A 81 -1.164 -8.885 -0.013 1.00 0.00 O ATOM 1072 CB ILE A 81 -0.089 -6.073 0.507 1.00 0.00 C ATOM 1073 CG1 ILE A 81 -0.385 -4.583 0.686 1.00 0.00 C ATOM 1074 CG2 ILE A 81 1.409 -6.311 0.388 1.00 0.00 C ATOM 1075 CD1 ILE A 81 -0.018 -4.053 2.054 1.00 0.00 C ATOM 0 H ILE A 81 -2.777 -6.798 -0.006 1.00 0.00 H new ATOM 0 HA ILE A 81 -0.402 -6.152 -1.625 1.00 0.00 H new ATOM 0 HB ILE A 81 -0.453 -6.604 1.387 1.00 0.00 H new ATOM 0 HG12 ILE A 81 0.160 -4.019 -0.071 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -1.447 -4.408 0.511 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.911 -5.919 1.272 1.00 0.00 H new ATOM 0 HG22 ILE A 81 1.602 -7.381 0.306 1.00 0.00 H new ATOM 0 HG23 ILE A 81 1.789 -5.804 -0.499 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -0.256 -2.991 2.108 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -0.583 -4.591 2.816 1.00 0.00 H new ATOM 0 HD13 ILE A 81 1.049 -4.195 2.225 1.00 0.00 H new ATOM 1087 N LYS A 82 0.198 -8.559 -1.774 1.00 0.00 N ATOM 1088 CA LYS A 82 0.485 -9.977 -1.955 1.00 0.00 C ATOM 1089 C LYS A 82 1.990 -10.226 -1.997 1.00 0.00 C ATOM 1090 O LYS A 82 2.778 -9.294 -2.159 1.00 0.00 O ATOM 1091 CB LYS A 82 -0.164 -10.490 -3.242 1.00 0.00 C ATOM 1092 CG LYS A 82 -1.642 -10.160 -3.352 1.00 0.00 C ATOM 1093 CD LYS A 82 -2.298 -10.913 -4.497 1.00 0.00 C ATOM 1094 CE LYS A 82 -3.752 -10.501 -4.674 1.00 0.00 C ATOM 1095 NZ LYS A 82 -4.658 -11.264 -3.773 1.00 0.00 N ATOM 0 H LYS A 82 0.665 -7.946 -2.442 1.00 0.00 H new ATOM 0 HA LYS A 82 0.068 -10.518 -1.105 1.00 0.00 H new ATOM 0 HB2 LYS A 82 0.359 -10.064 -4.098 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -0.037 -11.571 -3.297 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -2.142 -10.411 -2.417 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -1.766 -9.088 -3.502 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -1.750 -10.723 -5.420 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -2.243 -11.985 -4.308 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -3.854 -9.434 -4.473 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -4.051 -10.661 -5.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -5.639 -10.954 -3.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -4.580 -12.280 -3.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -4.389 -11.092 -2.783 1.00 0.00 H new ATOM 1109 N TYR A 83 2.380 -11.487 -1.851 1.00 0.00 N ATOM 1110 CA TYR A 83 3.790 -11.858 -1.872 1.00 0.00 C ATOM 1111 C TYR A 83 3.957 -13.351 -2.138 1.00 0.00 C ATOM 1112 O TYR A 83 3.303 -14.182 -1.510 1.00 0.00 O ATOM 1113 CB TYR A 83 4.456 -11.487 -0.546 1.00 0.00 C ATOM 1114 CG TYR A 83 5.965 -11.436 -0.619 1.00 0.00 C ATOM 1115 CD1 TYR A 83 6.617 -10.345 -1.181 1.00 0.00 C ATOM 1116 CD2 TYR A 83 6.740 -12.479 -0.126 1.00 0.00 C ATOM 1117 CE1 TYR A 83 7.995 -10.295 -1.251 1.00 0.00 C ATOM 1118 CE2 TYR A 83 8.119 -12.436 -0.190 1.00 0.00 C ATOM 1119 CZ TYR A 83 8.742 -11.343 -0.754 1.00 0.00 C ATOM 1120 OH TYR A 83 10.116 -11.296 -0.821 1.00 0.00 O ATOM 0 H TYR A 83 1.740 -12.270 -1.717 1.00 0.00 H new ATOM 0 HA TYR A 83 4.272 -11.308 -2.680 1.00 0.00 H new ATOM 0 HB2 TYR A 83 4.083 -10.515 -0.221 1.00 0.00 H new ATOM 0 HB3 TYR A 83 4.162 -12.211 0.214 1.00 0.00 H new ATOM 0 HD1 TYR A 83 6.036 -9.522 -1.570 1.00 0.00 H new ATOM 0 HD2 TYR A 83 6.256 -13.338 0.315 1.00 0.00 H new ATOM 0 HE1 TYR A 83 8.486 -9.440 -1.692 1.00 0.00 H new ATOM 0 HE2 TYR A 83 8.706 -13.254 0.200 1.00 0.00 H new ATOM 0 HH TYR A 83 10.388 -10.844 -1.647 1.00 0.00 H new ATOM 1130 N GLY A 84 4.840 -13.683 -3.075 1.00 0.00 N ATOM 1131 CA GLY A 84 5.079 -15.075 -3.408 1.00 0.00 C ATOM 1132 C GLY A 84 3.799 -15.885 -3.466 1.00 0.00 C ATOM 1133 O GLY A 84 3.772 -17.046 -3.059 1.00 0.00 O ATOM 0 H GLY A 84 5.394 -13.013 -3.609 1.00 0.00 H new ATOM 0 HA2 GLY A 84 5.586 -15.133 -4.371 1.00 0.00 H new ATOM 0 HA3 GLY A 84 5.749 -15.513 -2.668 1.00 0.00 H new ATOM 1137 N GLY A 85 2.734 -15.271 -3.973 1.00 0.00 N ATOM 1138 CA GLY A 85 1.459 -15.958 -4.072 1.00 0.00 C ATOM 1139 C GLY A 85 0.321 -15.019 -4.420 1.00 0.00 C ATOM 1140 O GLY A 85 0.288 -13.864 -3.995 1.00 0.00 O ATOM 0 H GLY A 85 2.731 -14.311 -4.317 1.00 0.00 H new ATOM 0 HA2 GLY A 85 1.528 -16.738 -4.831 1.00 0.00 H new ATOM 0 HA3 GLY A 85 1.242 -16.453 -3.125 1.00 0.00 H new ATOM 1144 N PRO A 86 -0.639 -15.516 -5.214 1.00 0.00 N ATOM 1145 CA PRO A 86 -1.801 -14.730 -5.639 1.00 0.00 C ATOM 1146 C PRO A 86 -2.762 -14.449 -4.489 1.00 0.00 C ATOM 1147 O PRO A 86 -3.680 -13.640 -4.619 1.00 0.00 O ATOM 1148 CB PRO A 86 -2.469 -15.623 -6.688 1.00 0.00 C ATOM 1149 CG PRO A 86 -2.049 -17.007 -6.330 1.00 0.00 C ATOM 1150 CD PRO A 86 -0.664 -16.884 -5.759 1.00 0.00 C ATOM 0 HA PRO A 86 -1.514 -13.748 -6.016 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -3.554 -15.520 -6.663 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -2.147 -15.360 -7.695 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -2.733 -17.447 -5.604 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -2.054 -17.655 -7.206 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -0.481 -17.628 -4.984 1.00 0.00 H new ATOM 0 HD3 PRO A 86 0.100 -17.026 -6.524 1.00 0.00 H new ATOM 1158 N GLN A 87 -2.543 -15.121 -3.363 1.00 0.00 N ATOM 1159 CA GLN A 87 -3.391 -14.943 -2.190 1.00 0.00 C ATOM 1160 C GLN A 87 -2.949 -13.730 -1.378 1.00 0.00 C ATOM 1161 O GLN A 87 -1.866 -13.185 -1.596 1.00 0.00 O ATOM 1162 CB GLN A 87 -3.358 -16.197 -1.315 1.00 0.00 C ATOM 1163 CG GLN A 87 -1.976 -16.521 -0.769 1.00 0.00 C ATOM 1164 CD GLN A 87 -2.030 -17.292 0.535 1.00 0.00 C ATOM 1165 OE1 GLN A 87 -2.977 -17.157 1.310 1.00 0.00 O ATOM 1166 NE2 GLN A 87 -1.012 -18.107 0.784 1.00 0.00 N ATOM 0 H GLN A 87 -1.786 -15.793 -3.238 1.00 0.00 H new ATOM 0 HA GLN A 87 -4.412 -14.775 -2.533 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -4.048 -16.067 -0.481 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -3.718 -17.046 -1.897 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -1.425 -17.102 -1.508 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -1.423 -15.594 -0.616 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -0.248 -18.188 0.113 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -0.994 -18.652 1.646 1.00 0.00 H new ATOM 1175 N HIS A 88 -3.794 -13.311 -0.442 1.00 0.00 N ATOM 1176 CA HIS A 88 -3.489 -12.162 0.403 1.00 0.00 C ATOM 1177 C HIS A 88 -2.592 -12.567 1.569 1.00 0.00 C ATOM 1178 O HIS A 88 -2.857 -13.555 2.254 1.00 0.00 O ATOM 1179 CB HIS A 88 -4.780 -11.535 0.932 1.00 0.00 C ATOM 1180 CG HIS A 88 -5.591 -10.853 -0.126 1.00 0.00 C ATOM 1181 ND1 HIS A 88 -5.598 -9.486 -0.306 1.00 0.00 N ATOM 1182 CD2 HIS A 88 -6.426 -11.358 -1.065 1.00 0.00 C ATOM 1183 CE1 HIS A 88 -6.402 -9.179 -1.308 1.00 0.00 C ATOM 1184 NE2 HIS A 88 -6.917 -10.298 -1.786 1.00 0.00 N ATOM 0 H HIS A 88 -4.695 -13.749 -0.249 1.00 0.00 H new ATOM 0 HA HIS A 88 -2.958 -11.428 -0.203 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -5.386 -12.311 1.399 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -4.532 -10.813 1.710 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -6.662 -12.401 -1.218 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -6.604 -8.183 -1.674 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -7.573 -10.364 -2.564 1.00 0.00 H new ATOM 1193 N ILE A 89 -1.531 -11.798 1.787 1.00 0.00 N ATOM 1194 CA ILE A 89 -0.595 -12.077 2.870 1.00 0.00 C ATOM 1195 C ILE A 89 -1.278 -11.965 4.229 1.00 0.00 C ATOM 1196 O ILE A 89 -2.308 -11.304 4.366 1.00 0.00 O ATOM 1197 CB ILE A 89 0.610 -11.120 2.833 1.00 0.00 C ATOM 1198 CG1 ILE A 89 0.145 -9.672 3.002 1.00 0.00 C ATOM 1199 CG2 ILE A 89 1.379 -11.286 1.531 1.00 0.00 C ATOM 1200 CD1 ILE A 89 1.204 -8.761 3.584 1.00 0.00 C ATOM 0 H ILE A 89 -1.298 -10.977 1.229 1.00 0.00 H new ATOM 0 HA ILE A 89 -0.242 -13.098 2.727 1.00 0.00 H new ATOM 0 HB ILE A 89 1.276 -11.367 3.660 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -0.164 -9.283 2.032 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -0.733 -9.654 3.648 1.00 0.00 H new ATOM 0 HG21 ILE A 89 2.228 -10.602 1.520 1.00 0.00 H new ATOM 0 HG22 ILE A 89 1.738 -12.312 1.449 1.00 0.00 H new ATOM 0 HG23 ILE A 89 0.723 -11.063 0.690 1.00 0.00 H new ATOM 0 HD11 ILE A 89 0.805 -7.751 3.675 1.00 0.00 H new ATOM 0 HD12 ILE A 89 1.497 -9.126 4.568 1.00 0.00 H new ATOM 0 HD13 ILE A 89 2.074 -8.749 2.928 1.00 0.00 H new ATOM 1212 N VAL A 90 -0.697 -12.614 5.233 1.00 0.00 N ATOM 1213 CA VAL A 90 -1.247 -12.585 6.583 1.00 0.00 C ATOM 1214 C VAL A 90 -1.564 -11.158 7.016 1.00 0.00 C ATOM 1215 O VAL A 90 -0.663 -10.365 7.285 1.00 0.00 O ATOM 1216 CB VAL A 90 -0.275 -13.215 7.598 1.00 0.00 C ATOM 1217 CG1 VAL A 90 1.126 -12.650 7.418 1.00 0.00 C ATOM 1218 CG2 VAL A 90 -0.771 -12.990 9.019 1.00 0.00 C ATOM 0 H VAL A 90 0.155 -13.167 5.137 1.00 0.00 H new ATOM 0 HA VAL A 90 -2.168 -13.168 6.563 1.00 0.00 H new ATOM 0 HB VAL A 90 -0.233 -14.289 7.417 1.00 0.00 H new ATOM 0 HG11 VAL A 90 1.799 -13.107 8.144 1.00 0.00 H new ATOM 0 HG12 VAL A 90 1.479 -12.867 6.410 1.00 0.00 H new ATOM 0 HG13 VAL A 90 1.106 -11.571 7.571 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -0.073 -13.441 9.724 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -0.843 -11.920 9.214 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -1.753 -13.447 9.138 1.00 0.00 H new ATOM 1228 N GLY A 91 -2.853 -10.838 7.083 1.00 0.00 N ATOM 1229 CA GLY A 91 -3.266 -9.506 7.485 1.00 0.00 C ATOM 1230 C GLY A 91 -4.064 -8.797 6.408 1.00 0.00 C ATOM 1231 O GLY A 91 -5.023 -8.085 6.704 1.00 0.00 O ATOM 0 H GLY A 91 -3.618 -11.477 6.866 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -3.866 -9.573 8.393 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -2.384 -8.914 7.729 1.00 0.00 H new ATOM 1235 N SER A 92 -3.665 -8.989 5.155 1.00 0.00 N ATOM 1236 CA SER A 92 -4.345 -8.358 4.030 1.00 0.00 C ATOM 1237 C SER A 92 -5.707 -9.003 3.788 1.00 0.00 C ATOM 1238 O SER A 92 -5.966 -10.137 4.191 1.00 0.00 O ATOM 1239 CB SER A 92 -3.489 -8.458 2.767 1.00 0.00 C ATOM 1240 OG SER A 92 -2.546 -7.402 2.705 1.00 0.00 O ATOM 0 H SER A 92 -2.874 -9.577 4.893 1.00 0.00 H new ATOM 0 HA SER A 92 -4.498 -7.307 4.273 1.00 0.00 H new ATOM 0 HB2 SER A 92 -2.969 -9.416 2.751 1.00 0.00 H new ATOM 0 HB3 SER A 92 -4.130 -8.429 1.886 1.00 0.00 H new ATOM 0 HG SER A 92 -2.643 -6.830 3.495 1.00 0.00 H new ATOM 1246 N PRO A 93 -6.599 -8.262 3.114 1.00 0.00 N ATOM 1247 CA PRO A 93 -6.303 -6.911 2.630 1.00 0.00 C ATOM 1248 C PRO A 93 -6.179 -5.902 3.768 1.00 0.00 C ATOM 1249 O PRO A 93 -6.372 -6.242 4.935 1.00 0.00 O ATOM 1250 CB PRO A 93 -7.509 -6.577 1.749 1.00 0.00 C ATOM 1251 CG PRO A 93 -8.613 -7.422 2.282 1.00 0.00 C ATOM 1252 CD PRO A 93 -7.967 -8.688 2.772 1.00 0.00 C ATOM 0 HA PRO A 93 -5.349 -6.866 2.105 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -7.759 -5.518 1.805 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -7.309 -6.802 0.702 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -9.138 -6.914 3.091 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -9.350 -7.635 1.508 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -8.489 -9.097 3.637 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -7.967 -9.462 2.005 1.00 0.00 H new ATOM 1260 N PHE A 94 -5.856 -4.661 3.419 1.00 0.00 N ATOM 1261 CA PHE A 94 -5.706 -3.603 4.412 1.00 0.00 C ATOM 1262 C PHE A 94 -6.624 -2.426 4.095 1.00 0.00 C ATOM 1263 O PHE A 94 -6.465 -1.757 3.074 1.00 0.00 O ATOM 1264 CB PHE A 94 -4.252 -3.130 4.468 1.00 0.00 C ATOM 1265 CG PHE A 94 -3.338 -4.086 5.179 1.00 0.00 C ATOM 1266 CD1 PHE A 94 -3.257 -4.089 6.562 1.00 0.00 C ATOM 1267 CD2 PHE A 94 -2.559 -4.981 4.464 1.00 0.00 C ATOM 1268 CE1 PHE A 94 -2.415 -4.967 7.218 1.00 0.00 C ATOM 1269 CE2 PHE A 94 -1.716 -5.862 5.115 1.00 0.00 C ATOM 1270 CZ PHE A 94 -1.645 -5.855 6.494 1.00 0.00 C ATOM 0 H PHE A 94 -5.693 -4.363 2.457 1.00 0.00 H new ATOM 0 HA PHE A 94 -5.987 -4.008 5.384 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -3.888 -2.979 3.452 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -4.212 -2.162 4.968 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -3.858 -3.398 7.134 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -2.611 -4.991 3.385 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -2.359 -4.958 8.297 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -1.114 -6.555 4.546 1.00 0.00 H new ATOM 0 HZ PHE A 94 -0.988 -6.543 7.005 1.00 0.00 H new ATOM 1280 N LYS A 95 -7.587 -2.180 4.977 1.00 0.00 N ATOM 1281 CA LYS A 95 -8.531 -1.084 4.795 1.00 0.00 C ATOM 1282 C LYS A 95 -7.997 0.203 5.413 1.00 0.00 C ATOM 1283 O LYS A 95 -7.749 0.268 6.617 1.00 0.00 O ATOM 1284 CB LYS A 95 -9.883 -1.440 5.418 1.00 0.00 C ATOM 1285 CG LYS A 95 -11.018 -0.538 4.963 1.00 0.00 C ATOM 1286 CD LYS A 95 -12.372 -1.103 5.361 1.00 0.00 C ATOM 1287 CE LYS A 95 -12.835 -2.178 4.390 1.00 0.00 C ATOM 1288 NZ LYS A 95 -13.452 -1.592 3.168 1.00 0.00 N ATOM 0 H LYS A 95 -7.734 -2.726 5.826 1.00 0.00 H new ATOM 0 HA LYS A 95 -8.662 -0.924 3.725 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -10.128 -2.472 5.169 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -9.799 -1.385 6.503 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -10.894 0.453 5.399 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -10.977 -0.417 3.880 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -12.312 -1.521 6.366 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -13.108 -0.299 5.393 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -11.987 -2.801 4.106 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -13.556 -2.828 4.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -13.755 -2.356 2.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -14.277 -1.018 3.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -12.756 -0.991 2.682 1.00 0.00 H new ATOM 1302 N ALA A 96 -7.823 1.226 4.583 1.00 0.00 N ATOM 1303 CA ALA A 96 -7.322 2.513 5.049 1.00 0.00 C ATOM 1304 C ALA A 96 -8.427 3.564 5.051 1.00 0.00 C ATOM 1305 O ALA A 96 -9.132 3.741 4.058 1.00 0.00 O ATOM 1306 CB ALA A 96 -6.157 2.971 4.185 1.00 0.00 C ATOM 0 H ALA A 96 -8.022 1.188 3.583 1.00 0.00 H new ATOM 0 HA ALA A 96 -6.972 2.389 6.074 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -5.793 3.933 4.545 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -5.353 2.236 4.239 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -6.488 3.072 3.151 1.00 0.00 H new ATOM 1312 N LYS A 97 -8.573 4.260 6.174 1.00 0.00 N ATOM 1313 CA LYS A 97 -9.592 5.295 6.306 1.00 0.00 C ATOM 1314 C LYS A 97 -8.960 6.683 6.310 1.00 0.00 C ATOM 1315 O LYS A 97 -8.196 7.026 7.213 1.00 0.00 O ATOM 1316 CB LYS A 97 -10.397 5.086 7.591 1.00 0.00 C ATOM 1317 CG LYS A 97 -11.613 5.989 7.701 1.00 0.00 C ATOM 1318 CD LYS A 97 -12.037 6.181 9.147 1.00 0.00 C ATOM 1319 CE LYS A 97 -12.866 5.007 9.645 1.00 0.00 C ATOM 1320 NZ LYS A 97 -13.031 5.032 11.125 1.00 0.00 N ATOM 0 H LYS A 97 -7.998 4.126 7.006 1.00 0.00 H new ATOM 0 HA LYS A 97 -10.262 5.222 5.449 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -10.721 4.047 7.642 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -9.747 5.259 8.449 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -11.389 6.958 7.255 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -12.438 5.560 7.133 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -11.153 6.296 9.774 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -12.615 7.101 9.239 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -13.847 5.028 9.170 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -12.388 4.073 9.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -13.602 4.216 11.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -12.097 4.987 11.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -13.510 5.911 11.406 1.00 0.00 H new ATOM 1334 N VAL A 98 -9.284 7.479 5.296 1.00 0.00 N ATOM 1335 CA VAL A 98 -8.749 8.831 5.184 1.00 0.00 C ATOM 1336 C VAL A 98 -9.809 9.871 5.530 1.00 0.00 C ATOM 1337 O VAL A 98 -10.941 9.805 5.049 1.00 0.00 O ATOM 1338 CB VAL A 98 -8.218 9.108 3.765 1.00 0.00 C ATOM 1339 CG1 VAL A 98 -7.811 10.567 3.623 1.00 0.00 C ATOM 1340 CG2 VAL A 98 -7.050 8.187 3.444 1.00 0.00 C ATOM 0 H VAL A 98 -9.914 7.211 4.540 1.00 0.00 H new ATOM 0 HA VAL A 98 -7.925 8.906 5.894 1.00 0.00 H new ATOM 0 HB VAL A 98 -9.017 8.907 3.051 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -7.438 10.744 2.614 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -8.675 11.205 3.808 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -7.028 10.798 4.345 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -6.687 8.396 2.438 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -6.247 8.355 4.161 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -7.378 7.149 3.503 1.00 0.00 H new ATOM 1350 N THR A 99 -9.435 10.832 6.369 1.00 0.00 N ATOM 1351 CA THR A 99 -10.353 11.886 6.781 1.00 0.00 C ATOM 1352 C THR A 99 -9.924 13.238 6.223 1.00 0.00 C ATOM 1353 O THR A 99 -8.803 13.394 5.741 1.00 0.00 O ATOM 1354 CB THR A 99 -10.445 11.983 8.316 1.00 0.00 C ATOM 1355 OG1 THR A 99 -11.531 12.838 8.688 1.00 0.00 O ATOM 1356 CG2 THR A 99 -9.147 12.518 8.903 1.00 0.00 C ATOM 0 H THR A 99 -8.502 10.902 6.776 1.00 0.00 H new ATOM 0 HA THR A 99 -11.333 11.625 6.381 1.00 0.00 H new ATOM 0 HB THR A 99 -10.619 10.982 8.712 1.00 0.00 H new ATOM 0 HG1 THR A 99 -11.584 12.893 9.665 1.00 0.00 H new ATOM 0 HG21 THR A 99 -9.236 12.578 9.988 1.00 0.00 H new ATOM 0 HG22 THR A 99 -8.327 11.849 8.642 1.00 0.00 H new ATOM 0 HG23 THR A 99 -8.947 13.511 8.500 1.00 0.00 H new ATOM 1364 N GLY A 100 -10.823 14.215 6.291 1.00 0.00 N ATOM 1365 CA GLY A 100 -10.518 15.542 5.789 1.00 0.00 C ATOM 1366 C GLY A 100 -11.218 15.841 4.479 1.00 0.00 C ATOM 1367 O GLY A 100 -11.668 14.940 3.771 1.00 0.00 O ATOM 0 H GLY A 100 -11.758 14.111 6.685 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -10.811 16.284 6.532 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -9.441 15.636 5.652 1.00 0.00 H new ATOM 1371 N PRO A 101 -11.318 17.135 4.138 1.00 0.00 N ATOM 1372 CA PRO A 101 -11.968 17.580 2.903 1.00 0.00 C ATOM 1373 C PRO A 101 -11.163 17.214 1.660 1.00 0.00 C ATOM 1374 O PRO A 101 -10.000 17.594 1.529 1.00 0.00 O ATOM 1375 CB PRO A 101 -12.037 19.100 3.066 1.00 0.00 C ATOM 1376 CG PRO A 101 -10.923 19.432 3.998 1.00 0.00 C ATOM 1377 CD PRO A 101 -10.803 18.262 4.934 1.00 0.00 C ATOM 0 HA PRO A 101 -12.940 17.108 2.762 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -11.916 19.607 2.108 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -12.999 19.411 3.472 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -9.993 19.592 3.453 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -11.134 20.350 4.546 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -9.770 18.098 5.242 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -11.386 18.412 5.842 1.00 0.00 H new