USER MOD reduce.3.24.130724 H: found=0, std=0, add=826, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 824 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 99 GLN : amide:sc= 0.568 K(o=1.2,f=-5.9!) USER MOD Set 1.2: A 103 LYS NZ :NH3+ -143:sc= 0.632 (180deg=0) USER MOD Set 2.1: A 86 LYS NZ :NH3+ -178:sc= 1.3 (180deg=0) USER MOD Set 2.2: A 109 HIS : no HD1:sc= 1.45 K(o=2.7,f=-13!) USER MOD Set 3.1: A 83 HIS : no HD1:sc= 1.33 K(o=2.6,f=-6.7!) USER MOD Set 3.2: A 85 TYR OH : rot -25:sc= 1.25 USER MOD Set 4.1: A 16 GLN : amide:sc= 2.3 K(o=3.2,f=-4.6) USER MOD Set 4.2: A 19 LYS NZ :NH3+ 149:sc= 0.897 (180deg=-0.385) USER MOD Single : A 3 SER OG : rot 36:sc= 0.256 USER MOD Single : A 9 SER OG : rot 74:sc= 1.2 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 HIS : no HD1:sc= -0.339 X(o=-0.34,f=-0.33) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 155:sc= 0.672 USER MOD Single : A 34 THR OG1 : rot -122:sc= 1.35 USER MOD Single : A 40 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0187) USER MOD Single : A 41 MET CE :methyl -167:sc= -0.0401 (180deg=-0.279) USER MOD Single : A 48 THR OG1 : rot 72:sc= 1.01 USER MOD Single : A 50 SER OG : rot -54:sc= 1.45 USER MOD Single : A 51 ASN : amide:sc= 1.96 K(o=2,f=-0.02) USER MOD Single : A 53 TYR OH : rot -140:sc= 0.799 USER MOD Single : A 56 LYS NZ :NH3+ -165:sc= 1.43 (180deg=1.16) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0.434 USER MOD Single : A 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot 17:sc= 0.87 USER MOD Single : A 90 LYS NZ :NH3+ 167:sc= 0.98 (180deg=0.646) USER MOD Single : A 98 SER OG : rot 119:sc= 1.05 USER MOD Single : A 101 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0307) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 17 N SER A 3 -1.686 -8.951 5.262 1.00 0.00 N ATOM 18 CA SER A 3 -0.569 -8.317 4.587 1.00 0.00 C ATOM 19 C SER A 3 -0.903 -6.848 4.319 1.00 0.00 C ATOM 20 O SER A 3 -0.945 -6.397 3.175 1.00 0.00 O ATOM 21 CB SER A 3 -0.307 -9.100 3.302 1.00 0.00 C ATOM 22 OG SER A 3 -0.137 -10.473 3.608 1.00 0.00 O ATOM 0 HA SER A 3 0.334 -8.329 5.197 1.00 0.00 H new ATOM 0 HB2 SER A 3 -1.139 -8.972 2.610 1.00 0.00 H new ATOM 0 HB3 SER A 3 0.583 -8.715 2.805 1.00 0.00 H new ATOM 0 HG SER A 3 -0.731 -10.719 4.347 1.00 0.00 H new ATOM 28 N VAL A 4 -1.178 -6.126 5.402 1.00 0.00 N ATOM 29 CA VAL A 4 -1.535 -4.720 5.423 1.00 0.00 C ATOM 30 C VAL A 4 -0.245 -3.887 5.385 1.00 0.00 C ATOM 31 O VAL A 4 0.859 -4.435 5.435 1.00 0.00 O ATOM 32 CB VAL A 4 -2.408 -4.508 6.685 1.00 0.00 C ATOM 33 CG1 VAL A 4 -2.721 -3.042 7.014 1.00 0.00 C ATOM 34 CG2 VAL A 4 -3.720 -5.316 6.582 1.00 0.00 C ATOM 0 H VAL A 4 -1.155 -6.533 6.337 1.00 0.00 H new ATOM 0 HA VAL A 4 -2.117 -4.397 4.560 1.00 0.00 H new ATOM 0 HB VAL A 4 -1.800 -4.874 7.512 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -3.336 -2.994 7.912 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -1.790 -2.500 7.182 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -3.259 -2.589 6.181 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -4.319 -5.153 7.478 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -4.281 -4.989 5.707 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -3.488 -6.377 6.489 1.00 0.00 H new ATOM 44 N ILE A 5 -0.357 -2.555 5.327 1.00 0.00 N ATOM 45 CA ILE A 5 0.821 -1.724 5.251 1.00 0.00 C ATOM 46 C ILE A 5 1.467 -1.631 6.616 1.00 0.00 C ATOM 47 O ILE A 5 0.813 -1.485 7.646 1.00 0.00 O ATOM 48 CB ILE A 5 0.501 -0.284 4.804 1.00 0.00 C ATOM 49 CG1 ILE A 5 -0.323 0.510 5.844 1.00 0.00 C ATOM 50 CG2 ILE A 5 -0.255 -0.336 3.487 1.00 0.00 C ATOM 51 CD1 ILE A 5 -0.847 1.862 5.353 1.00 0.00 C ATOM 0 H ILE A 5 -1.242 -2.048 5.332 1.00 0.00 H new ATOM 0 HA ILE A 5 1.480 -2.188 4.517 1.00 0.00 H new ATOM 0 HB ILE A 5 1.450 0.241 4.693 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -1.170 -0.100 6.157 1.00 0.00 H new ATOM 0 HG13 ILE A 5 0.295 0.675 6.727 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -0.487 0.678 3.160 1.00 0.00 H new ATOM 0 HG22 ILE A 5 0.360 -0.828 2.734 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -1.181 -0.895 3.621 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -1.412 2.345 6.150 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -0.007 2.496 5.068 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -1.495 1.709 4.490 1.00 0.00 H new ATOM 63 N VAL A 6 2.784 -1.731 6.574 1.00 0.00 N ATOM 64 CA VAL A 6 3.658 -1.446 7.686 1.00 0.00 C ATOM 65 C VAL A 6 5.028 -1.238 7.066 1.00 0.00 C ATOM 66 O VAL A 6 5.962 -2.016 7.236 1.00 0.00 O ATOM 67 CB VAL A 6 3.555 -2.525 8.788 1.00 0.00 C ATOM 68 CG1 VAL A 6 3.781 -3.959 8.283 1.00 0.00 C ATOM 69 CG2 VAL A 6 4.477 -2.217 9.975 1.00 0.00 C ATOM 0 H VAL A 6 3.286 -2.023 5.735 1.00 0.00 H new ATOM 0 HA VAL A 6 3.385 -0.547 8.239 1.00 0.00 H new ATOM 0 HB VAL A 6 2.520 -2.482 9.128 1.00 0.00 H new ATOM 0 HG11 VAL A 6 3.692 -4.656 9.116 1.00 0.00 H new ATOM 0 HG12 VAL A 6 3.034 -4.200 7.527 1.00 0.00 H new ATOM 0 HG13 VAL A 6 4.777 -4.039 7.848 1.00 0.00 H new ATOM 0 HG21 VAL A 6 4.375 -2.999 10.727 1.00 0.00 H new ATOM 0 HG22 VAL A 6 5.511 -2.176 9.632 1.00 0.00 H new ATOM 0 HG23 VAL A 6 4.201 -1.256 10.410 1.00 0.00 H new ATOM 79 N ILE A 7 5.099 -0.181 6.264 1.00 0.00 N ATOM 80 CA ILE A 7 6.230 0.097 5.420 1.00 0.00 C ATOM 81 C ILE A 7 6.192 1.577 5.047 1.00 0.00 C ATOM 82 O ILE A 7 5.190 2.255 5.281 1.00 0.00 O ATOM 83 CB ILE A 7 6.120 -0.858 4.218 1.00 0.00 C ATOM 84 CG1 ILE A 7 7.277 -0.687 3.223 1.00 0.00 C ATOM 85 CG2 ILE A 7 4.759 -0.707 3.530 1.00 0.00 C ATOM 86 CD1 ILE A 7 7.393 -1.962 2.389 1.00 0.00 C ATOM 0 H ILE A 7 4.354 0.512 6.189 1.00 0.00 H new ATOM 0 HA ILE A 7 7.194 -0.073 5.899 1.00 0.00 H new ATOM 0 HB ILE A 7 6.197 -1.874 4.605 1.00 0.00 H new ATOM 0 HG12 ILE A 7 7.097 0.173 2.577 1.00 0.00 H new ATOM 0 HG13 ILE A 7 8.209 -0.497 3.755 1.00 0.00 H new ATOM 0 HG21 ILE A 7 4.702 -1.391 2.683 1.00 0.00 H new ATOM 0 HG22 ILE A 7 3.965 -0.940 4.239 1.00 0.00 H new ATOM 0 HG23 ILE A 7 4.641 0.318 3.178 1.00 0.00 H new ATOM 0 HD11 ILE A 7 8.211 -1.857 1.676 1.00 0.00 H new ATOM 0 HD12 ILE A 7 7.590 -2.810 3.046 1.00 0.00 H new ATOM 0 HD13 ILE A 7 6.461 -2.130 1.849 1.00 0.00 H new ATOM 98 N ASP A 8 7.301 2.059 4.497 1.00 0.00 N ATOM 99 CA ASP A 8 7.507 3.433 4.075 1.00 0.00 C ATOM 100 C ASP A 8 8.702 3.468 3.126 1.00 0.00 C ATOM 101 O ASP A 8 8.640 4.113 2.080 1.00 0.00 O ATOM 102 CB ASP A 8 7.749 4.342 5.294 1.00 0.00 C ATOM 103 CG ASP A 8 9.105 4.090 5.949 1.00 0.00 C ATOM 104 OD1 ASP A 8 9.325 2.938 6.383 1.00 0.00 O ATOM 105 OD2 ASP A 8 9.945 5.013 5.903 1.00 0.00 O ATOM 0 H ASP A 8 8.117 1.472 4.327 1.00 0.00 H new ATOM 0 HA ASP A 8 6.619 3.803 3.563 1.00 0.00 H new ATOM 0 HB2 ASP A 8 7.687 5.385 4.984 1.00 0.00 H new ATOM 0 HB3 ASP A 8 6.959 4.180 6.027 1.00 0.00 H new ATOM 110 N SER A 9 9.766 2.749 3.507 1.00 0.00 N ATOM 111 CA SER A 9 11.037 2.703 2.808 1.00 0.00 C ATOM 112 C SER A 9 11.345 1.336 2.184 1.00 0.00 C ATOM 113 O SER A 9 10.857 0.293 2.624 1.00 0.00 O ATOM 114 CB SER A 9 12.145 3.116 3.785 1.00 0.00 C ATOM 115 OG SER A 9 11.991 4.473 4.153 1.00 0.00 O ATOM 0 H SER A 9 9.755 2.165 4.343 1.00 0.00 H new ATOM 0 HA SER A 9 10.981 3.398 1.970 1.00 0.00 H new ATOM 0 HB2 SER A 9 12.111 2.485 4.673 1.00 0.00 H new ATOM 0 HB3 SER A 9 13.121 2.965 3.324 1.00 0.00 H new ATOM 0 HG SER A 9 11.238 4.560 4.775 1.00 0.00 H new ATOM 121 N LYS A 10 12.218 1.381 1.169 1.00 0.00 N ATOM 122 CA LYS A 10 12.710 0.269 0.362 1.00 0.00 C ATOM 123 C LYS A 10 13.072 -0.956 1.197 1.00 0.00 C ATOM 124 O LYS A 10 12.870 -2.087 0.773 1.00 0.00 O ATOM 125 CB LYS A 10 13.970 0.737 -0.373 1.00 0.00 C ATOM 126 CG LYS A 10 14.311 -0.149 -1.579 1.00 0.00 C ATOM 127 CD LYS A 10 15.733 0.117 -2.091 1.00 0.00 C ATOM 128 CE LYS A 10 15.904 1.526 -2.669 1.00 0.00 C ATOM 129 NZ LYS A 10 17.263 1.725 -3.201 1.00 0.00 N ATOM 0 H LYS A 10 12.627 2.267 0.872 1.00 0.00 H new ATOM 0 HA LYS A 10 11.913 -0.023 -0.322 1.00 0.00 H new ATOM 0 HB2 LYS A 10 13.830 1.764 -0.709 1.00 0.00 H new ATOM 0 HB3 LYS A 10 14.811 0.740 0.320 1.00 0.00 H new ATOM 0 HG2 LYS A 10 14.215 -1.198 -1.299 1.00 0.00 H new ATOM 0 HG3 LYS A 10 13.595 0.034 -2.380 1.00 0.00 H new ATOM 0 HD2 LYS A 10 16.440 -0.023 -1.274 1.00 0.00 H new ATOM 0 HD3 LYS A 10 15.981 -0.617 -2.857 1.00 0.00 H new ATOM 0 HE2 LYS A 10 15.174 1.687 -3.462 1.00 0.00 H new ATOM 0 HE3 LYS A 10 15.702 2.266 -1.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 17.348 2.688 -3.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 17.957 1.594 -2.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 17.445 1.034 -3.956 1.00 0.00 H new ATOM 143 N ALA A 11 13.648 -0.722 2.374 1.00 0.00 N ATOM 144 CA ALA A 11 14.102 -1.764 3.287 1.00 0.00 C ATOM 145 C ALA A 11 13.094 -2.899 3.506 1.00 0.00 C ATOM 146 O ALA A 11 13.523 -4.008 3.811 1.00 0.00 O ATOM 147 CB ALA A 11 14.475 -1.120 4.625 1.00 0.00 C ATOM 0 H ALA A 11 13.815 0.221 2.726 1.00 0.00 H new ATOM 0 HA ALA A 11 14.967 -2.236 2.821 1.00 0.00 H new ATOM 0 HB1 ALA A 11 14.816 -1.890 5.317 1.00 0.00 H new ATOM 0 HB2 ALA A 11 15.272 -0.393 4.469 1.00 0.00 H new ATOM 0 HB3 ALA A 11 13.602 -0.618 5.043 1.00 0.00 H new ATOM 153 N ALA A 12 11.785 -2.643 3.392 1.00 0.00 N ATOM 154 CA ALA A 12 10.770 -3.687 3.545 1.00 0.00 C ATOM 155 C ALA A 12 10.016 -3.963 2.232 1.00 0.00 C ATOM 156 O ALA A 12 9.099 -4.782 2.216 1.00 0.00 O ATOM 157 CB ALA A 12 9.831 -3.290 4.687 1.00 0.00 C ATOM 0 H ALA A 12 11.405 -1.717 3.194 1.00 0.00 H new ATOM 0 HA ALA A 12 11.257 -4.629 3.796 1.00 0.00 H new ATOM 0 HB1 ALA A 12 9.068 -4.058 4.814 1.00 0.00 H new ATOM 0 HB2 ALA A 12 10.402 -3.190 5.610 1.00 0.00 H new ATOM 0 HB3 ALA A 12 9.353 -2.339 4.451 1.00 0.00 H new ATOM 163 N TRP A 13 10.392 -3.305 1.129 1.00 0.00 N ATOM 164 CA TRP A 13 9.801 -3.486 -0.195 1.00 0.00 C ATOM 165 C TRP A 13 9.899 -4.961 -0.578 1.00 0.00 C ATOM 166 O TRP A 13 8.900 -5.631 -0.845 1.00 0.00 O ATOM 167 CB TRP A 13 10.571 -2.600 -1.193 1.00 0.00 C ATOM 168 CG TRP A 13 10.254 -2.724 -2.653 1.00 0.00 C ATOM 169 CD1 TRP A 13 11.027 -3.363 -3.560 1.00 0.00 C ATOM 170 CD2 TRP A 13 9.168 -2.128 -3.421 1.00 0.00 C ATOM 171 NE1 TRP A 13 10.488 -3.240 -4.820 1.00 0.00 N ATOM 172 CE2 TRP A 13 9.342 -2.478 -4.793 1.00 0.00 C ATOM 173 CE3 TRP A 13 8.066 -1.306 -3.107 1.00 0.00 C ATOM 174 CZ2 TRP A 13 8.460 -2.058 -5.797 1.00 0.00 C ATOM 175 CZ3 TRP A 13 7.188 -0.861 -4.113 1.00 0.00 C ATOM 176 CH2 TRP A 13 7.369 -1.249 -5.452 1.00 0.00 C ATOM 0 H TRP A 13 11.140 -2.611 1.137 1.00 0.00 H new ATOM 0 HA TRP A 13 8.750 -3.196 -0.203 1.00 0.00 H new ATOM 0 HB2 TRP A 13 10.410 -1.561 -0.906 1.00 0.00 H new ATOM 0 HB3 TRP A 13 11.634 -2.805 -1.066 1.00 0.00 H new ATOM 0 HD1 TRP A 13 11.938 -3.894 -3.328 1.00 0.00 H new ATOM 0 HE1 TRP A 13 10.885 -3.658 -5.662 1.00 0.00 H new ATOM 0 HE3 TRP A 13 7.894 -1.014 -2.082 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 8.619 -2.354 -6.823 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 6.364 -0.213 -3.853 1.00 0.00 H new ATOM 0 HH2 TRP A 13 6.671 -0.926 -6.210 1.00 0.00 H new ATOM 187 N ASP A 14 11.140 -5.453 -0.571 1.00 0.00 N ATOM 188 CA ASP A 14 11.467 -6.832 -0.887 1.00 0.00 C ATOM 189 C ASP A 14 10.722 -7.774 0.050 1.00 0.00 C ATOM 190 O ASP A 14 10.122 -8.748 -0.389 1.00 0.00 O ATOM 191 CB ASP A 14 12.982 -7.036 -0.776 1.00 0.00 C ATOM 192 CG ASP A 14 13.558 -6.866 0.628 1.00 0.00 C ATOM 193 OD1 ASP A 14 13.075 -5.951 1.331 1.00 0.00 O ATOM 194 OD2 ASP A 14 14.455 -7.663 0.974 1.00 0.00 O ATOM 0 H ASP A 14 11.957 -4.887 -0.340 1.00 0.00 H new ATOM 0 HA ASP A 14 11.158 -7.056 -1.908 1.00 0.00 H new ATOM 0 HB2 ASP A 14 13.225 -8.037 -1.133 1.00 0.00 H new ATOM 0 HB3 ASP A 14 13.478 -6.331 -1.443 1.00 0.00 H new ATOM 199 N ALA A 15 10.769 -7.460 1.341 1.00 0.00 N ATOM 200 CA ALA A 15 10.134 -8.247 2.384 1.00 0.00 C ATOM 201 C ALA A 15 8.649 -8.451 2.084 1.00 0.00 C ATOM 202 O ALA A 15 8.201 -9.590 1.964 1.00 0.00 O ATOM 203 CB ALA A 15 10.350 -7.590 3.751 1.00 0.00 C ATOM 0 H ALA A 15 11.258 -6.638 1.694 1.00 0.00 H new ATOM 0 HA ALA A 15 10.597 -9.233 2.410 1.00 0.00 H new ATOM 0 HB1 ALA A 15 9.869 -8.190 4.523 1.00 0.00 H new ATOM 0 HB2 ALA A 15 11.418 -7.522 3.957 1.00 0.00 H new ATOM 0 HB3 ALA A 15 9.917 -6.590 3.746 1.00 0.00 H new ATOM 209 N GLN A 16 7.894 -7.355 1.958 1.00 0.00 N ATOM 210 CA GLN A 16 6.458 -7.402 1.700 1.00 0.00 C ATOM 211 C GLN A 16 6.196 -8.187 0.413 1.00 0.00 C ATOM 212 O GLN A 16 5.358 -9.089 0.412 1.00 0.00 O ATOM 213 CB GLN A 16 5.869 -5.980 1.633 1.00 0.00 C ATOM 214 CG GLN A 16 4.339 -5.977 1.847 1.00 0.00 C ATOM 215 CD GLN A 16 3.916 -5.592 3.269 1.00 0.00 C ATOM 216 OE1 GLN A 16 4.645 -5.830 4.226 1.00 0.00 O ATOM 217 NE2 GLN A 16 2.734 -5.002 3.437 1.00 0.00 N ATOM 0 H GLN A 16 8.267 -6.408 2.033 1.00 0.00 H new ATOM 0 HA GLN A 16 5.959 -7.915 2.522 1.00 0.00 H new ATOM 0 HB2 GLN A 16 6.342 -5.355 2.391 1.00 0.00 H new ATOM 0 HB3 GLN A 16 6.101 -5.537 0.664 1.00 0.00 H new ATOM 0 HG2 GLN A 16 3.884 -5.282 1.141 1.00 0.00 H new ATOM 0 HG3 GLN A 16 3.947 -6.968 1.617 1.00 0.00 H new ATOM 0 HE21 GLN A 16 2.140 -4.811 2.630 1.00 0.00 H new ATOM 0 HE22 GLN A 16 2.423 -4.741 4.373 1.00 0.00 H new ATOM 226 N LEU A 17 6.915 -7.858 -0.670 1.00 0.00 N ATOM 227 CA LEU A 17 6.778 -8.560 -1.938 1.00 0.00 C ATOM 228 C LEU A 17 6.924 -10.067 -1.720 1.00 0.00 C ATOM 229 O LEU A 17 6.015 -10.834 -2.035 1.00 0.00 O ATOM 230 CB LEU A 17 7.834 -8.044 -2.935 1.00 0.00 C ATOM 231 CG LEU A 17 7.478 -6.689 -3.573 1.00 0.00 C ATOM 232 CD1 LEU A 17 8.710 -6.107 -4.269 1.00 0.00 C ATOM 233 CD2 LEU A 17 6.377 -6.833 -4.629 1.00 0.00 C ATOM 0 H LEU A 17 7.600 -7.103 -0.684 1.00 0.00 H new ATOM 0 HA LEU A 17 5.788 -8.370 -2.353 1.00 0.00 H new ATOM 0 HB2 LEU A 17 8.791 -7.953 -2.421 1.00 0.00 H new ATOM 0 HB3 LEU A 17 7.966 -8.783 -3.725 1.00 0.00 H new ATOM 0 HG LEU A 17 7.129 -6.037 -2.772 1.00 0.00 H new ATOM 0 HD11 LEU A 17 8.454 -5.148 -4.719 1.00 0.00 H new ATOM 0 HD12 LEU A 17 9.507 -5.964 -3.539 1.00 0.00 H new ATOM 0 HD13 LEU A 17 9.048 -6.794 -5.045 1.00 0.00 H new ATOM 0 HD21 LEU A 17 6.153 -5.856 -5.057 1.00 0.00 H new ATOM 0 HD22 LEU A 17 6.715 -7.505 -5.418 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.479 -7.240 -4.165 1.00 0.00 H new ATOM 245 N ALA A 18 8.055 -10.480 -1.149 1.00 0.00 N ATOM 246 CA ALA A 18 8.379 -11.872 -0.899 1.00 0.00 C ATOM 247 C ALA A 18 7.286 -12.562 -0.082 1.00 0.00 C ATOM 248 O ALA A 18 6.698 -13.533 -0.559 1.00 0.00 O ATOM 249 CB ALA A 18 9.733 -11.951 -0.192 1.00 0.00 C ATOM 0 H ALA A 18 8.784 -9.836 -0.843 1.00 0.00 H new ATOM 0 HA ALA A 18 8.440 -12.399 -1.851 1.00 0.00 H new ATOM 0 HB1 ALA A 18 9.983 -12.994 -0.001 1.00 0.00 H new ATOM 0 HB2 ALA A 18 10.500 -11.504 -0.824 1.00 0.00 H new ATOM 0 HB3 ALA A 18 9.682 -11.411 0.753 1.00 0.00 H new ATOM 255 N LYS A 19 6.991 -12.078 1.133 1.00 0.00 N ATOM 256 CA LYS A 19 5.983 -12.743 1.960 1.00 0.00 C ATOM 257 C LYS A 19 4.620 -12.759 1.263 1.00 0.00 C ATOM 258 O LYS A 19 3.814 -13.651 1.516 1.00 0.00 O ATOM 259 CB LYS A 19 5.896 -12.143 3.373 1.00 0.00 C ATOM 260 CG LYS A 19 5.434 -10.687 3.486 1.00 0.00 C ATOM 261 CD LYS A 19 4.992 -10.410 4.931 1.00 0.00 C ATOM 262 CE LYS A 19 4.700 -8.924 5.162 1.00 0.00 C ATOM 263 NZ LYS A 19 5.939 -8.131 5.256 1.00 0.00 N ATOM 0 H LYS A 19 7.422 -11.254 1.552 1.00 0.00 H new ATOM 0 HA LYS A 19 6.303 -13.777 2.086 1.00 0.00 H new ATOM 0 HB2 LYS A 19 5.217 -12.760 3.961 1.00 0.00 H new ATOM 0 HB3 LYS A 19 6.880 -12.222 3.835 1.00 0.00 H new ATOM 0 HG2 LYS A 19 6.243 -10.013 3.205 1.00 0.00 H new ATOM 0 HG3 LYS A 19 4.609 -10.500 2.798 1.00 0.00 H new ATOM 0 HD2 LYS A 19 4.100 -10.995 5.157 1.00 0.00 H new ATOM 0 HD3 LYS A 19 5.771 -10.738 5.619 1.00 0.00 H new ATOM 0 HE2 LYS A 19 4.086 -8.543 4.346 1.00 0.00 H new ATOM 0 HE3 LYS A 19 4.122 -8.805 6.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 5.765 -7.172 4.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 6.242 -8.077 6.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 6.685 -8.584 4.691 1.00 0.00 H new ATOM 277 N GLY A 20 4.360 -11.789 0.383 1.00 0.00 N ATOM 278 CA GLY A 20 3.121 -11.725 -0.362 1.00 0.00 C ATOM 279 C GLY A 20 2.924 -12.895 -1.328 1.00 0.00 C ATOM 280 O GLY A 20 1.781 -13.189 -1.660 1.00 0.00 O ATOM 0 H GLY A 20 5.009 -11.030 0.174 1.00 0.00 H new ATOM 0 HA2 GLY A 20 2.287 -11.699 0.339 1.00 0.00 H new ATOM 0 HA3 GLY A 20 3.093 -10.792 -0.925 1.00 0.00 H new ATOM 284 N LYS A 21 3.994 -13.560 -1.791 1.00 0.00 N ATOM 285 CA LYS A 21 3.898 -14.638 -2.781 1.00 0.00 C ATOM 286 C LYS A 21 3.165 -14.110 -4.021 1.00 0.00 C ATOM 287 O LYS A 21 2.164 -14.659 -4.470 1.00 0.00 O ATOM 288 CB LYS A 21 3.223 -15.889 -2.187 1.00 0.00 C ATOM 289 CG LYS A 21 3.844 -16.357 -0.863 1.00 0.00 C ATOM 290 CD LYS A 21 5.334 -16.692 -0.996 1.00 0.00 C ATOM 291 CE LYS A 21 5.899 -17.140 0.355 1.00 0.00 C ATOM 292 NZ LYS A 21 7.351 -17.374 0.269 1.00 0.00 N ATOM 0 H LYS A 21 4.948 -13.364 -1.488 1.00 0.00 H new ATOM 0 HA LYS A 21 4.899 -14.952 -3.078 1.00 0.00 H new ATOM 0 HB2 LYS A 21 2.165 -15.679 -2.028 1.00 0.00 H new ATOM 0 HB3 LYS A 21 3.281 -16.701 -2.912 1.00 0.00 H new ATOM 0 HG2 LYS A 21 3.716 -15.578 -0.111 1.00 0.00 H new ATOM 0 HG3 LYS A 21 3.308 -17.236 -0.506 1.00 0.00 H new ATOM 0 HD2 LYS A 21 5.472 -17.481 -1.736 1.00 0.00 H new ATOM 0 HD3 LYS A 21 5.880 -15.819 -1.355 1.00 0.00 H new ATOM 0 HE2 LYS A 21 5.694 -16.380 1.109 1.00 0.00 H new ATOM 0 HE3 LYS A 21 5.398 -18.053 0.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 7.709 -17.677 1.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 7.542 -18.116 -0.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 7.828 -16.495 -0.017 1.00 0.00 H new ATOM 306 N GLU A 22 3.733 -13.031 -4.562 1.00 0.00 N ATOM 307 CA GLU A 22 3.331 -12.189 -5.682 1.00 0.00 C ATOM 308 C GLU A 22 2.566 -12.857 -6.835 1.00 0.00 C ATOM 309 O GLU A 22 1.736 -12.185 -7.454 1.00 0.00 O ATOM 310 CB GLU A 22 4.606 -11.563 -6.266 1.00 0.00 C ATOM 311 CG GLU A 22 5.537 -10.868 -5.255 1.00 0.00 C ATOM 312 CD GLU A 22 6.711 -11.735 -4.793 1.00 0.00 C ATOM 313 OE1 GLU A 22 6.441 -12.858 -4.314 1.00 0.00 O ATOM 314 OE2 GLU A 22 7.856 -11.247 -4.902 1.00 0.00 O ATOM 0 H GLU A 22 4.606 -12.683 -4.166 1.00 0.00 H new ATOM 0 HA GLU A 22 2.619 -11.481 -5.258 1.00 0.00 H new ATOM 0 HB2 GLU A 22 5.171 -12.344 -6.774 1.00 0.00 H new ATOM 0 HB3 GLU A 22 4.316 -10.835 -7.024 1.00 0.00 H new ATOM 0 HG2 GLU A 22 5.927 -9.955 -5.704 1.00 0.00 H new ATOM 0 HG3 GLU A 22 4.953 -10.570 -4.384 1.00 0.00 H new ATOM 321 N GLU A 23 2.889 -14.119 -7.145 1.00 0.00 N ATOM 322 CA GLU A 23 2.422 -14.952 -8.259 1.00 0.00 C ATOM 323 C GLU A 23 1.210 -14.361 -8.986 1.00 0.00 C ATOM 324 O GLU A 23 1.328 -13.911 -10.124 1.00 0.00 O ATOM 325 CB GLU A 23 2.132 -16.370 -7.734 1.00 0.00 C ATOM 326 CG GLU A 23 3.377 -17.276 -7.743 1.00 0.00 C ATOM 327 CD GLU A 23 4.558 -16.762 -6.921 1.00 0.00 C ATOM 328 OE1 GLU A 23 4.304 -16.150 -5.861 1.00 0.00 O ATOM 329 OE2 GLU A 23 5.702 -16.996 -7.366 1.00 0.00 O ATOM 0 H GLU A 23 3.550 -14.633 -6.563 1.00 0.00 H new ATOM 0 HA GLU A 23 3.213 -14.991 -9.008 1.00 0.00 H new ATOM 0 HB2 GLU A 23 1.744 -16.304 -6.718 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.352 -16.826 -8.344 1.00 0.00 H new ATOM 0 HG2 GLU A 23 3.094 -18.260 -7.368 1.00 0.00 H new ATOM 0 HG3 GLU A 23 3.703 -17.409 -8.775 1.00 0.00 H new ATOM 336 N HIS A 24 0.049 -14.370 -8.331 1.00 0.00 N ATOM 337 CA HIS A 24 -1.174 -13.783 -8.854 1.00 0.00 C ATOM 338 C HIS A 24 -1.883 -13.067 -7.705 1.00 0.00 C ATOM 339 O HIS A 24 -3.049 -13.329 -7.418 1.00 0.00 O ATOM 340 CB HIS A 24 -2.050 -14.870 -9.496 1.00 0.00 C ATOM 341 CG HIS A 24 -3.341 -14.319 -10.047 1.00 0.00 C ATOM 342 ND1 HIS A 24 -4.554 -14.996 -9.918 1.00 0.00 N ATOM 343 CD2 HIS A 24 -3.571 -13.103 -10.630 1.00 0.00 C ATOM 344 CE1 HIS A 24 -5.468 -14.152 -10.412 1.00 0.00 C ATOM 345 NE2 HIS A 24 -4.929 -13.003 -10.851 1.00 0.00 N ATOM 0 H HIS A 24 -0.065 -14.792 -7.410 1.00 0.00 H new ATOM 0 HA HIS A 24 -0.956 -13.057 -9.638 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -1.493 -15.354 -10.298 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -2.273 -15.637 -8.755 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -2.827 -12.359 -10.872 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -6.525 -14.371 -10.453 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -5.425 -12.214 -11.265 1.00 0.00 H new ATOM 353 N LYS A 25 -1.163 -12.179 -7.017 1.00 0.00 N ATOM 354 CA LYS A 25 -1.707 -11.460 -5.875 1.00 0.00 C ATOM 355 C LYS A 25 -1.726 -9.960 -6.159 1.00 0.00 C ATOM 356 O LYS A 25 -0.705 -9.425 -6.591 1.00 0.00 O ATOM 357 CB LYS A 25 -0.834 -11.692 -4.639 1.00 0.00 C ATOM 358 CG LYS A 25 -0.394 -13.141 -4.430 1.00 0.00 C ATOM 359 CD LYS A 25 -1.560 -14.100 -4.194 1.00 0.00 C ATOM 360 CE LYS A 25 -1.021 -15.468 -3.767 1.00 0.00 C ATOM 361 NZ LYS A 25 -2.115 -16.425 -3.534 1.00 0.00 N ATOM 0 H LYS A 25 -0.195 -11.943 -7.237 1.00 0.00 H new ATOM 0 HA LYS A 25 -2.718 -11.826 -5.697 1.00 0.00 H new ATOM 0 HB2 LYS A 25 0.054 -11.064 -4.715 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -1.382 -11.362 -3.757 1.00 0.00 H new ATOM 0 HG2 LYS A 25 0.168 -13.472 -5.303 1.00 0.00 H new ATOM 0 HG3 LYS A 25 0.284 -13.188 -3.578 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -2.221 -13.702 -3.424 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -2.153 -14.199 -5.104 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -0.354 -15.855 -4.537 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -0.429 -15.361 -2.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -1.718 -17.342 -3.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -2.737 -16.065 -2.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -2.664 -16.545 -4.409 1.00 0.00 H new ATOM 375 N PRO A 26 -2.841 -9.251 -5.929 1.00 0.00 N ATOM 376 CA PRO A 26 -2.858 -7.809 -6.044 1.00 0.00 C ATOM 377 C PRO A 26 -2.003 -7.197 -4.937 1.00 0.00 C ATOM 378 O PRO A 26 -2.477 -6.960 -3.824 1.00 0.00 O ATOM 379 CB PRO A 26 -4.326 -7.381 -5.962 1.00 0.00 C ATOM 380 CG PRO A 26 -4.995 -8.546 -5.246 1.00 0.00 C ATOM 381 CD PRO A 26 -4.182 -9.759 -5.697 1.00 0.00 C ATOM 0 HA PRO A 26 -2.433 -7.462 -6.986 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -4.442 -6.449 -5.408 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -4.753 -7.219 -6.952 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -4.964 -8.422 -4.163 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -6.044 -8.640 -5.526 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -4.182 -10.539 -4.935 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -4.599 -10.198 -6.603 1.00 0.00 H new ATOM 389 N ILE A 27 -0.722 -6.978 -5.242 1.00 0.00 N ATOM 390 CA ILE A 27 0.175 -6.258 -4.362 1.00 0.00 C ATOM 391 C ILE A 27 -0.034 -4.793 -4.720 1.00 0.00 C ATOM 392 O ILE A 27 0.577 -4.290 -5.666 1.00 0.00 O ATOM 393 CB ILE A 27 1.627 -6.727 -4.525 1.00 0.00 C ATOM 394 CG1 ILE A 27 1.659 -8.256 -4.325 1.00 0.00 C ATOM 395 CG2 ILE A 27 2.492 -5.964 -3.510 1.00 0.00 C ATOM 396 CD1 ILE A 27 2.982 -8.807 -3.800 1.00 0.00 C ATOM 0 H ILE A 27 -0.286 -7.298 -6.107 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.036 -6.435 -3.307 1.00 0.00 H new ATOM 0 HB ILE A 27 2.028 -6.518 -5.517 1.00 0.00 H new ATOM 0 HG12 ILE A 27 0.865 -8.534 -3.631 1.00 0.00 H new ATOM 0 HG13 ILE A 27 1.434 -8.737 -5.277 1.00 0.00 H new ATOM 0 HG21 ILE A 27 3.531 -6.281 -3.606 1.00 0.00 H new ATOM 0 HG22 ILE A 27 2.420 -4.894 -3.702 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.140 -6.176 -2.500 1.00 0.00 H new ATOM 0 HD11 ILE A 27 2.908 -9.889 -3.692 1.00 0.00 H new ATOM 0 HD12 ILE A 27 3.781 -8.566 -4.502 1.00 0.00 H new ATOM 0 HD13 ILE A 27 3.203 -8.360 -2.831 1.00 0.00 H new ATOM 408 N VAL A 28 -0.952 -4.140 -4.003 1.00 0.00 N ATOM 409 CA VAL A 28 -1.316 -2.762 -4.249 1.00 0.00 C ATOM 410 C VAL A 28 -0.362 -1.883 -3.444 1.00 0.00 C ATOM 411 O VAL A 28 -0.195 -2.049 -2.232 1.00 0.00 O ATOM 412 CB VAL A 28 -2.809 -2.508 -3.964 1.00 0.00 C ATOM 413 CG1 VAL A 28 -3.284 -2.827 -2.544 1.00 0.00 C ATOM 414 CG2 VAL A 28 -3.173 -1.086 -4.407 1.00 0.00 C ATOM 0 H VAL A 28 -1.463 -4.567 -3.230 1.00 0.00 H new ATOM 0 HA VAL A 28 -1.206 -2.508 -5.303 1.00 0.00 H new ATOM 0 HB VAL A 28 -3.361 -3.235 -4.559 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -4.349 -2.610 -2.459 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -3.110 -3.882 -2.331 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -2.731 -2.217 -1.830 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.229 -0.902 -4.207 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -2.568 -0.367 -3.855 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -2.981 -0.977 -5.474 1.00 0.00 H new ATOM 424 N VAL A 29 0.291 -0.957 -4.139 1.00 0.00 N ATOM 425 CA VAL A 29 1.300 -0.090 -3.563 1.00 0.00 C ATOM 426 C VAL A 29 0.774 1.326 -3.387 1.00 0.00 C ATOM 427 O VAL A 29 0.546 2.007 -4.381 1.00 0.00 O ATOM 428 CB VAL A 29 2.529 -0.062 -4.475 1.00 0.00 C ATOM 429 CG1 VAL A 29 3.639 0.697 -3.752 1.00 0.00 C ATOM 430 CG2 VAL A 29 3.004 -1.474 -4.820 1.00 0.00 C ATOM 0 H VAL A 29 0.128 -0.789 -5.132 1.00 0.00 H new ATOM 0 HA VAL A 29 1.567 -0.483 -2.582 1.00 0.00 H new ATOM 0 HB VAL A 29 2.268 0.431 -5.411 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.527 0.731 -4.383 1.00 0.00 H new ATOM 0 HG12 VAL A 29 3.306 1.713 -3.539 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.877 0.190 -2.817 1.00 0.00 H new ATOM 0 HG21 VAL A 29 3.878 -1.416 -5.469 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.267 -2.003 -3.904 1.00 0.00 H new ATOM 0 HG23 VAL A 29 2.206 -2.011 -5.333 1.00 0.00 H new ATOM 440 N ASP A 30 0.621 1.785 -2.144 1.00 0.00 N ATOM 441 CA ASP A 30 0.222 3.163 -1.871 1.00 0.00 C ATOM 442 C ASP A 30 1.460 4.059 -1.917 1.00 0.00 C ATOM 443 O ASP A 30 2.116 4.265 -0.894 1.00 0.00 O ATOM 444 CB ASP A 30 -0.491 3.260 -0.514 1.00 0.00 C ATOM 445 CG ASP A 30 -0.717 4.697 -0.052 1.00 0.00 C ATOM 446 OD1 ASP A 30 -0.990 5.546 -0.929 1.00 0.00 O ATOM 447 OD2 ASP A 30 -0.627 4.924 1.174 1.00 0.00 O ATOM 0 H ASP A 30 0.768 1.219 -1.309 1.00 0.00 H new ATOM 0 HA ASP A 30 -0.484 3.499 -2.631 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.453 2.751 -0.580 1.00 0.00 H new ATOM 0 HB3 ASP A 30 0.098 2.733 0.237 1.00 0.00 H new ATOM 452 N PHE A 31 1.799 4.574 -3.102 1.00 0.00 N ATOM 453 CA PHE A 31 2.893 5.520 -3.245 1.00 0.00 C ATOM 454 C PHE A 31 2.321 6.898 -2.922 1.00 0.00 C ATOM 455 O PHE A 31 1.703 7.509 -3.793 1.00 0.00 O ATOM 456 CB PHE A 31 3.455 5.490 -4.671 1.00 0.00 C ATOM 457 CG PHE A 31 4.320 4.297 -5.023 1.00 0.00 C ATOM 458 CD1 PHE A 31 5.703 4.341 -4.761 1.00 0.00 C ATOM 459 CD2 PHE A 31 3.798 3.269 -5.831 1.00 0.00 C ATOM 460 CE1 PHE A 31 6.562 3.374 -5.311 1.00 0.00 C ATOM 461 CE2 PHE A 31 4.664 2.322 -6.409 1.00 0.00 C ATOM 462 CZ PHE A 31 6.044 2.369 -6.146 1.00 0.00 C ATOM 0 H PHE A 31 1.325 4.346 -3.976 1.00 0.00 H new ATOM 0 HA PHE A 31 3.715 5.269 -2.575 1.00 0.00 H new ATOM 0 HB2 PHE A 31 2.619 5.525 -5.370 1.00 0.00 H new ATOM 0 HB3 PHE A 31 4.040 6.396 -4.828 1.00 0.00 H new ATOM 0 HD1 PHE A 31 6.106 5.122 -4.134 1.00 0.00 H new ATOM 0 HD2 PHE A 31 2.734 3.207 -6.007 1.00 0.00 H new ATOM 0 HE1 PHE A 31 7.619 3.403 -5.092 1.00 0.00 H new ATOM 0 HE2 PHE A 31 4.266 1.556 -7.058 1.00 0.00 H new ATOM 0 HZ PHE A 31 6.704 1.635 -6.584 1.00 0.00 H new ATOM 472 N THR A 32 2.515 7.386 -1.694 1.00 0.00 N ATOM 473 CA THR A 32 1.998 8.679 -1.257 1.00 0.00 C ATOM 474 C THR A 32 3.143 9.541 -0.725 1.00 0.00 C ATOM 475 O THR A 32 4.275 9.078 -0.596 1.00 0.00 O ATOM 476 CB THR A 32 0.860 8.477 -0.239 1.00 0.00 C ATOM 477 OG1 THR A 32 0.289 9.735 0.075 1.00 0.00 O ATOM 478 CG2 THR A 32 1.333 7.800 1.050 1.00 0.00 C ATOM 0 H THR A 32 3.039 6.890 -0.973 1.00 0.00 H new ATOM 0 HA THR A 32 1.565 9.218 -2.100 1.00 0.00 H new ATOM 0 HB THR A 32 0.124 7.818 -0.699 1.00 0.00 H new ATOM 0 HG1 THR A 32 -0.635 9.609 0.375 1.00 0.00 H new ATOM 0 HG21 THR A 32 0.489 7.683 1.730 1.00 0.00 H new ATOM 0 HG22 THR A 32 1.748 6.820 0.815 1.00 0.00 H new ATOM 0 HG23 THR A 32 2.099 8.414 1.524 1.00 0.00 H new ATOM 486 N ALA A 33 2.846 10.809 -0.444 1.00 0.00 N ATOM 487 CA ALA A 33 3.793 11.799 0.043 1.00 0.00 C ATOM 488 C ALA A 33 3.326 12.271 1.417 1.00 0.00 C ATOM 489 O ALA A 33 2.370 13.032 1.517 1.00 0.00 O ATOM 490 CB ALA A 33 3.875 12.955 -0.956 1.00 0.00 C ATOM 0 H ALA A 33 1.904 11.184 -0.555 1.00 0.00 H new ATOM 0 HA ALA A 33 4.792 11.374 0.140 1.00 0.00 H new ATOM 0 HB1 ALA A 33 4.584 13.699 -0.594 1.00 0.00 H new ATOM 0 HB2 ALA A 33 4.207 12.577 -1.923 1.00 0.00 H new ATOM 0 HB3 ALA A 33 2.892 13.413 -1.064 1.00 0.00 H new ATOM 496 N THR A 34 4.009 11.821 2.468 1.00 0.00 N ATOM 497 CA THR A 34 3.726 12.118 3.865 1.00 0.00 C ATOM 498 C THR A 34 3.395 13.590 4.102 1.00 0.00 C ATOM 499 O THR A 34 2.373 13.920 4.697 1.00 0.00 O ATOM 500 CB THR A 34 4.968 11.709 4.668 1.00 0.00 C ATOM 501 OG1 THR A 34 6.132 11.992 3.904 1.00 0.00 O ATOM 502 CG2 THR A 34 4.917 10.211 4.959 1.00 0.00 C ATOM 0 H THR A 34 4.816 11.207 2.359 1.00 0.00 H new ATOM 0 HA THR A 34 2.842 11.564 4.181 1.00 0.00 H new ATOM 0 HB THR A 34 4.993 12.264 5.606 1.00 0.00 H new ATOM 0 HG1 THR A 34 6.647 11.168 3.775 1.00 0.00 H new ATOM 0 HG21 THR A 34 5.799 9.921 5.529 1.00 0.00 H new ATOM 0 HG22 THR A 34 4.021 9.983 5.536 1.00 0.00 H new ATOM 0 HG23 THR A 34 4.894 9.658 4.020 1.00 0.00 H new ATOM 510 N TRP A 35 4.280 14.475 3.647 1.00 0.00 N ATOM 511 CA TRP A 35 4.121 15.913 3.804 1.00 0.00 C ATOM 512 C TRP A 35 2.826 16.419 3.155 1.00 0.00 C ATOM 513 O TRP A 35 2.218 17.371 3.646 1.00 0.00 O ATOM 514 CB TRP A 35 5.351 16.610 3.222 1.00 0.00 C ATOM 515 CG TRP A 35 5.681 16.298 1.794 1.00 0.00 C ATOM 516 CD1 TRP A 35 6.557 15.355 1.377 1.00 0.00 C ATOM 517 CD2 TRP A 35 5.172 16.935 0.582 1.00 0.00 C ATOM 518 NE1 TRP A 35 6.700 15.435 0.007 1.00 0.00 N ATOM 519 CE2 TRP A 35 5.836 16.360 -0.540 1.00 0.00 C ATOM 520 CE3 TRP A 35 4.225 17.948 0.315 1.00 0.00 C ATOM 521 CZ2 TRP A 35 5.583 16.771 -1.857 1.00 0.00 C ATOM 522 CZ3 TRP A 35 3.944 18.352 -1.005 1.00 0.00 C ATOM 523 CH2 TRP A 35 4.621 17.767 -2.089 1.00 0.00 C ATOM 0 H TRP A 35 5.133 14.209 3.156 1.00 0.00 H new ATOM 0 HA TRP A 35 4.040 16.149 4.865 1.00 0.00 H new ATOM 0 HB2 TRP A 35 5.208 17.687 3.312 1.00 0.00 H new ATOM 0 HB3 TRP A 35 6.213 16.351 3.836 1.00 0.00 H new ATOM 0 HD1 TRP A 35 7.065 14.649 2.017 1.00 0.00 H new ATOM 0 HE1 TRP A 35 7.362 14.879 -0.534 1.00 0.00 H new ATOM 0 HE3 TRP A 35 3.708 18.421 1.137 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 6.121 16.327 -2.682 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 3.203 19.117 -1.185 1.00 0.00 H new ATOM 0 HH2 TRP A 35 4.402 18.083 -3.098 1.00 0.00 H new ATOM 534 N CYS A 36 2.390 15.808 2.050 1.00 0.00 N ATOM 535 CA CYS A 36 1.147 16.195 1.405 1.00 0.00 C ATOM 536 C CYS A 36 0.005 15.632 2.247 1.00 0.00 C ATOM 537 O CYS A 36 -0.491 14.541 1.983 1.00 0.00 O ATOM 538 CB CYS A 36 1.094 15.689 -0.041 1.00 0.00 C ATOM 539 SG CYS A 36 -0.542 15.834 -0.806 1.00 0.00 S ATOM 0 H CYS A 36 2.884 15.044 1.589 1.00 0.00 H new ATOM 0 HA CYS A 36 1.065 17.280 1.346 1.00 0.00 H new ATOM 0 HB2 CYS A 36 1.815 16.247 -0.638 1.00 0.00 H new ATOM 0 HB3 CYS A 36 1.404 14.644 -0.062 1.00 0.00 H new ATOM 544 N GLY A 37 -0.401 16.376 3.280 1.00 0.00 N ATOM 545 CA GLY A 37 -1.493 16.019 4.183 1.00 0.00 C ATOM 546 C GLY A 37 -2.643 15.298 3.464 1.00 0.00 C ATOM 547 O GLY A 37 -2.942 14.153 3.798 1.00 0.00 O ATOM 0 H GLY A 37 0.035 17.268 3.516 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.108 15.379 4.977 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -1.876 16.922 4.658 1.00 0.00 H new ATOM 551 N PRO A 38 -3.279 15.927 2.461 1.00 0.00 N ATOM 552 CA PRO A 38 -4.353 15.316 1.690 1.00 0.00 C ATOM 553 C PRO A 38 -3.981 13.945 1.118 1.00 0.00 C ATOM 554 O PRO A 38 -4.802 13.032 1.108 1.00 0.00 O ATOM 555 CB PRO A 38 -4.674 16.319 0.577 1.00 0.00 C ATOM 556 CG PRO A 38 -4.302 17.660 1.207 1.00 0.00 C ATOM 557 CD PRO A 38 -3.070 17.304 2.041 1.00 0.00 C ATOM 0 HA PRO A 38 -5.214 15.116 2.327 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -4.094 16.121 -0.324 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -5.726 16.284 0.293 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -4.077 18.414 0.453 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -5.109 18.056 1.824 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -2.156 17.403 1.455 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -2.971 17.967 2.900 1.00 0.00 H new ATOM 565 N CYS A 39 -2.744 13.798 0.645 1.00 0.00 N ATOM 566 CA CYS A 39 -2.244 12.552 0.078 1.00 0.00 C ATOM 567 C CYS A 39 -2.058 11.529 1.199 1.00 0.00 C ATOM 568 O CYS A 39 -2.291 10.334 1.009 1.00 0.00 O ATOM 569 CB CYS A 39 -0.899 12.753 -0.641 1.00 0.00 C ATOM 570 SG CYS A 39 -0.736 14.059 -1.888 1.00 0.00 S ATOM 0 H CYS A 39 -2.055 14.551 0.646 1.00 0.00 H new ATOM 0 HA CYS A 39 -2.972 12.199 -0.652 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -0.145 12.937 0.124 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -0.642 11.809 -1.122 1.00 0.00 H new ATOM 575 N LYS A 40 -1.600 11.986 2.367 1.00 0.00 N ATOM 576 CA LYS A 40 -1.375 11.134 3.521 1.00 0.00 C ATOM 577 C LYS A 40 -2.703 10.598 4.056 1.00 0.00 C ATOM 578 O LYS A 40 -2.776 9.428 4.408 1.00 0.00 O ATOM 579 CB LYS A 40 -0.591 11.907 4.590 1.00 0.00 C ATOM 580 CG LYS A 40 -0.250 11.019 5.796 1.00 0.00 C ATOM 581 CD LYS A 40 0.749 11.684 6.754 1.00 0.00 C ATOM 582 CE LYS A 40 0.320 13.076 7.234 1.00 0.00 C ATOM 583 NZ LYS A 40 -1.010 13.058 7.870 1.00 0.00 N ATOM 0 H LYS A 40 -1.375 12.967 2.532 1.00 0.00 H new ATOM 0 HA LYS A 40 -0.777 10.271 3.227 1.00 0.00 H new ATOM 0 HB2 LYS A 40 0.328 12.299 4.155 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -1.177 12.764 4.923 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -1.165 10.782 6.338 1.00 0.00 H new ATOM 0 HG3 LYS A 40 0.165 10.075 5.442 1.00 0.00 H new ATOM 0 HD2 LYS A 40 0.889 11.039 7.621 1.00 0.00 H new ATOM 0 HD3 LYS A 40 1.716 11.764 6.257 1.00 0.00 H new ATOM 0 HE2 LYS A 40 1.055 13.457 7.943 1.00 0.00 H new ATOM 0 HE3 LYS A 40 0.307 13.763 6.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -1.231 14.005 8.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -1.727 12.784 7.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -1.012 12.372 8.652 1.00 0.00 H new ATOM 597 N MET A 41 -3.751 11.425 4.107 1.00 0.00 N ATOM 598 CA MET A 41 -5.078 11.048 4.613 1.00 0.00 C ATOM 599 C MET A 41 -5.636 9.802 3.930 1.00 0.00 C ATOM 600 O MET A 41 -6.396 9.043 4.524 1.00 0.00 O ATOM 601 CB MET A 41 -6.058 12.205 4.402 1.00 0.00 C ATOM 602 CG MET A 41 -5.818 13.358 5.376 1.00 0.00 C ATOM 603 SD MET A 41 -6.113 13.031 7.135 1.00 0.00 S ATOM 604 CE MET A 41 -7.853 12.542 7.109 1.00 0.00 C ATOM 0 H MET A 41 -3.702 12.394 3.792 1.00 0.00 H new ATOM 0 HA MET A 41 -4.961 10.824 5.673 1.00 0.00 H new ATOM 0 HB2 MET A 41 -5.968 12.572 3.380 1.00 0.00 H new ATOM 0 HB3 MET A 41 -7.078 11.840 4.520 1.00 0.00 H new ATOM 0 HG2 MET A 41 -4.785 13.687 5.262 1.00 0.00 H new ATOM 0 HG3 MET A 41 -6.453 14.192 5.076 1.00 0.00 H new ATOM 0 HE1 MET A 41 -8.244 12.533 8.127 1.00 0.00 H new ATOM 0 HE2 MET A 41 -8.422 13.252 6.508 1.00 0.00 H new ATOM 0 HE3 MET A 41 -7.945 11.546 6.676 1.00 0.00 H new ATOM 614 N ILE A 42 -5.275 9.596 2.671 1.00 0.00 N ATOM 615 CA ILE A 42 -5.702 8.419 1.933 1.00 0.00 C ATOM 616 C ILE A 42 -5.080 7.141 2.522 1.00 0.00 C ATOM 617 O ILE A 42 -5.685 6.071 2.463 1.00 0.00 O ATOM 618 CB ILE A 42 -5.348 8.616 0.454 1.00 0.00 C ATOM 619 CG1 ILE A 42 -5.960 9.909 -0.118 1.00 0.00 C ATOM 620 CG2 ILE A 42 -5.826 7.405 -0.351 1.00 0.00 C ATOM 621 CD1 ILE A 42 -7.445 10.116 0.190 1.00 0.00 C ATOM 0 H ILE A 42 -4.684 10.234 2.138 1.00 0.00 H new ATOM 0 HA ILE A 42 -6.781 8.294 2.019 1.00 0.00 H new ATOM 0 HB ILE A 42 -4.265 8.709 0.376 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -5.402 10.760 0.272 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -5.826 9.908 -1.200 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -5.575 7.545 -1.402 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -5.338 6.504 0.022 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -6.906 7.302 -0.247 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -7.782 11.052 -0.255 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -8.021 9.289 -0.225 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -7.591 10.154 1.270 1.00 0.00 H new ATOM 633 N ALA A 43 -3.884 7.228 3.109 1.00 0.00 N ATOM 634 CA ALA A 43 -3.197 6.073 3.678 1.00 0.00 C ATOM 635 C ALA A 43 -4.062 5.311 4.702 1.00 0.00 C ATOM 636 O ALA A 43 -4.234 4.109 4.522 1.00 0.00 O ATOM 637 CB ALA A 43 -1.849 6.484 4.278 1.00 0.00 C ATOM 0 H ALA A 43 -3.367 8.102 3.202 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.011 5.378 2.859 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -1.354 5.607 4.696 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.221 6.918 3.500 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -2.011 7.220 5.066 1.00 0.00 H new ATOM 643 N PRO A 44 -4.611 5.915 5.776 1.00 0.00 N ATOM 644 CA PRO A 44 -5.460 5.190 6.715 1.00 0.00 C ATOM 645 C PRO A 44 -6.701 4.605 6.035 1.00 0.00 C ATOM 646 O PRO A 44 -7.151 3.523 6.408 1.00 0.00 O ATOM 647 CB PRO A 44 -5.809 6.166 7.844 1.00 0.00 C ATOM 648 CG PRO A 44 -5.557 7.537 7.226 1.00 0.00 C ATOM 649 CD PRO A 44 -4.401 7.265 6.266 1.00 0.00 C ATOM 0 HA PRO A 44 -4.935 4.325 7.119 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -6.845 6.055 8.164 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -5.185 6.002 8.723 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -6.437 7.914 6.704 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -5.292 8.278 7.980 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -4.395 7.983 5.446 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -3.441 7.353 6.774 1.00 0.00 H new ATOM 657 N LEU A 45 -7.260 5.291 5.032 1.00 0.00 N ATOM 658 CA LEU A 45 -8.383 4.722 4.286 1.00 0.00 C ATOM 659 C LEU A 45 -7.917 3.414 3.641 1.00 0.00 C ATOM 660 O LEU A 45 -8.516 2.356 3.836 1.00 0.00 O ATOM 661 CB LEU A 45 -8.901 5.689 3.210 1.00 0.00 C ATOM 662 CG LEU A 45 -9.475 7.008 3.752 1.00 0.00 C ATOM 663 CD1 LEU A 45 -10.050 7.811 2.581 1.00 0.00 C ATOM 664 CD2 LEU A 45 -10.575 6.790 4.799 1.00 0.00 C ATOM 0 H LEU A 45 -6.962 6.217 4.725 1.00 0.00 H new ATOM 0 HA LEU A 45 -9.209 4.538 4.973 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -8.085 5.918 2.524 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -9.673 5.184 2.629 1.00 0.00 H new ATOM 0 HG LEU A 45 -8.663 7.545 4.243 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -10.461 8.750 2.951 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -9.260 8.020 1.860 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -10.839 7.235 2.097 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -10.943 7.755 5.146 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -11.395 6.228 4.353 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -10.169 6.232 5.643 1.00 0.00 H new ATOM 676 N PHE A 46 -6.812 3.488 2.896 1.00 0.00 N ATOM 677 CA PHE A 46 -6.204 2.336 2.254 1.00 0.00 C ATOM 678 C PHE A 46 -5.942 1.239 3.290 1.00 0.00 C ATOM 679 O PHE A 46 -6.258 0.085 3.031 1.00 0.00 O ATOM 680 CB PHE A 46 -4.934 2.792 1.534 1.00 0.00 C ATOM 681 CG PHE A 46 -4.135 1.707 0.835 1.00 0.00 C ATOM 682 CD1 PHE A 46 -4.551 1.210 -0.413 1.00 0.00 C ATOM 683 CD2 PHE A 46 -2.880 1.323 1.344 1.00 0.00 C ATOM 684 CE1 PHE A 46 -3.644 0.508 -1.222 1.00 0.00 C ATOM 685 CE2 PHE A 46 -1.990 0.577 0.554 1.00 0.00 C ATOM 686 CZ PHE A 46 -2.348 0.225 -0.754 1.00 0.00 C ATOM 0 H PHE A 46 -6.314 4.361 2.724 1.00 0.00 H new ATOM 0 HA PHE A 46 -6.874 1.905 1.510 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -5.210 3.544 0.795 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -4.285 3.282 2.260 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -5.565 1.368 -0.748 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -2.600 1.604 2.348 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -3.942 0.184 -2.208 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -1.033 0.276 0.953 1.00 0.00 H new ATOM 0 HZ PHE A 46 -1.632 -0.261 -1.400 1.00 0.00 H new ATOM 696 N GLU A 47 -5.420 1.594 4.470 1.00 0.00 N ATOM 697 CA GLU A 47 -5.163 0.675 5.578 1.00 0.00 C ATOM 698 C GLU A 47 -6.467 -0.012 6.006 1.00 0.00 C ATOM 699 O GLU A 47 -6.502 -1.225 6.223 1.00 0.00 O ATOM 700 CB GLU A 47 -4.513 1.459 6.731 1.00 0.00 C ATOM 701 CG GLU A 47 -3.855 0.584 7.811 1.00 0.00 C ATOM 702 CD GLU A 47 -4.835 -0.057 8.793 1.00 0.00 C ATOM 703 OE1 GLU A 47 -5.936 0.507 8.968 1.00 0.00 O ATOM 704 OE2 GLU A 47 -4.459 -1.104 9.363 1.00 0.00 O ATOM 0 H GLU A 47 -5.158 2.557 4.683 1.00 0.00 H new ATOM 0 HA GLU A 47 -4.475 -0.112 5.269 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -3.760 2.130 6.317 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -5.272 2.084 7.201 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -3.282 -0.204 7.322 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -3.145 1.193 8.371 1.00 0.00 H new ATOM 711 N THR A 48 -7.556 0.749 6.122 1.00 0.00 N ATOM 712 CA THR A 48 -8.853 0.190 6.483 1.00 0.00 C ATOM 713 C THR A 48 -9.235 -0.863 5.435 1.00 0.00 C ATOM 714 O THR A 48 -9.569 -2.000 5.774 1.00 0.00 O ATOM 715 CB THR A 48 -9.901 1.310 6.595 1.00 0.00 C ATOM 716 OG1 THR A 48 -9.437 2.324 7.466 1.00 0.00 O ATOM 717 CG2 THR A 48 -11.216 0.772 7.165 1.00 0.00 C ATOM 0 H THR A 48 -7.562 1.758 5.970 1.00 0.00 H new ATOM 0 HA THR A 48 -8.807 -0.294 7.459 1.00 0.00 H new ATOM 0 HB THR A 48 -10.066 1.707 5.593 1.00 0.00 H new ATOM 0 HG1 THR A 48 -8.714 2.822 7.032 1.00 0.00 H new ATOM 0 HG21 THR A 48 -11.941 1.583 7.235 1.00 0.00 H new ATOM 0 HG22 THR A 48 -11.605 -0.007 6.510 1.00 0.00 H new ATOM 0 HG23 THR A 48 -11.040 0.357 8.157 1.00 0.00 H new ATOM 725 N LEU A 49 -9.138 -0.508 4.149 1.00 0.00 N ATOM 726 CA LEU A 49 -9.431 -1.456 3.079 1.00 0.00 C ATOM 727 C LEU A 49 -8.463 -2.637 3.130 1.00 0.00 C ATOM 728 O LEU A 49 -8.834 -3.760 2.811 1.00 0.00 O ATOM 729 CB LEU A 49 -9.370 -0.771 1.711 1.00 0.00 C ATOM 730 CG LEU A 49 -10.682 -0.087 1.310 1.00 0.00 C ATOM 731 CD1 LEU A 49 -11.761 -1.109 0.924 1.00 0.00 C ATOM 732 CD2 LEU A 49 -11.240 0.878 2.362 1.00 0.00 C ATOM 0 H LEU A 49 -8.861 0.421 3.830 1.00 0.00 H new ATOM 0 HA LEU A 49 -10.444 -1.831 3.226 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -8.571 -0.030 1.720 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -9.109 -1.511 0.954 1.00 0.00 H new ATOM 0 HG LEU A 49 -10.419 0.515 0.440 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -12.676 -0.585 0.646 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -11.413 -1.704 0.080 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -11.961 -1.764 1.772 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -12.168 1.317 1.997 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -11.435 0.335 3.287 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -10.514 1.669 2.551 1.00 0.00 H new ATOM 744 N SER A 50 -7.220 -2.400 3.537 1.00 0.00 N ATOM 745 CA SER A 50 -6.248 -3.471 3.693 1.00 0.00 C ATOM 746 C SER A 50 -6.789 -4.518 4.664 1.00 0.00 C ATOM 747 O SER A 50 -6.709 -5.713 4.393 1.00 0.00 O ATOM 748 CB SER A 50 -4.891 -2.952 4.169 1.00 0.00 C ATOM 749 OG SER A 50 -4.411 -1.823 3.470 1.00 0.00 O ATOM 0 H SER A 50 -6.863 -1.472 3.765 1.00 0.00 H new ATOM 0 HA SER A 50 -6.091 -3.925 2.715 1.00 0.00 H new ATOM 0 HB2 SER A 50 -4.964 -2.703 5.228 1.00 0.00 H new ATOM 0 HB3 SER A 50 -4.159 -3.755 4.081 1.00 0.00 H new ATOM 0 HG SER A 50 -4.408 -2.011 2.508 1.00 0.00 H new ATOM 755 N ASN A 51 -7.346 -4.068 5.792 1.00 0.00 N ATOM 756 CA ASN A 51 -7.947 -4.982 6.758 1.00 0.00 C ATOM 757 C ASN A 51 -9.141 -5.671 6.097 1.00 0.00 C ATOM 758 O ASN A 51 -9.259 -6.894 6.154 1.00 0.00 O ATOM 759 CB ASN A 51 -8.373 -4.244 8.035 1.00 0.00 C ATOM 760 CG ASN A 51 -7.180 -3.856 8.903 1.00 0.00 C ATOM 761 OD1 ASN A 51 -6.902 -4.502 9.907 1.00 0.00 O ATOM 762 ND2 ASN A 51 -6.466 -2.798 8.536 1.00 0.00 N ATOM 0 H ASN A 51 -7.392 -3.083 6.054 1.00 0.00 H new ATOM 0 HA ASN A 51 -7.211 -5.729 7.057 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -8.930 -3.347 7.765 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -9.048 -4.878 8.611 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -5.664 -2.505 9.094 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -6.719 -2.278 7.696 1.00 0.00 H new ATOM 769 N ASP A 52 -10.015 -4.890 5.449 1.00 0.00 N ATOM 770 CA ASP A 52 -11.183 -5.420 4.745 1.00 0.00 C ATOM 771 C ASP A 52 -10.792 -6.560 3.801 1.00 0.00 C ATOM 772 O ASP A 52 -11.444 -7.601 3.771 1.00 0.00 O ATOM 773 CB ASP A 52 -11.859 -4.312 3.929 1.00 0.00 C ATOM 774 CG ASP A 52 -13.138 -4.814 3.268 1.00 0.00 C ATOM 775 OD1 ASP A 52 -14.135 -4.960 4.004 1.00 0.00 O ATOM 776 OD2 ASP A 52 -13.093 -5.030 2.037 1.00 0.00 O ATOM 0 H ASP A 52 -9.930 -3.875 5.400 1.00 0.00 H new ATOM 0 HA ASP A 52 -11.873 -5.803 5.497 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -12.090 -3.468 4.579 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -11.171 -3.948 3.166 1.00 0.00 H new ATOM 781 N TYR A 53 -9.713 -6.362 3.042 1.00 0.00 N ATOM 782 CA TYR A 53 -9.228 -7.306 2.052 1.00 0.00 C ATOM 783 C TYR A 53 -8.018 -8.064 2.597 1.00 0.00 C ATOM 784 O TYR A 53 -7.050 -8.277 1.870 1.00 0.00 O ATOM 785 CB TYR A 53 -8.862 -6.539 0.772 1.00 0.00 C ATOM 786 CG TYR A 53 -10.007 -6.047 -0.094 1.00 0.00 C ATOM 787 CD1 TYR A 53 -10.644 -6.962 -0.952 1.00 0.00 C ATOM 788 CD2 TYR A 53 -10.157 -4.665 -0.328 1.00 0.00 C ATOM 789 CE1 TYR A 53 -11.400 -6.503 -2.043 1.00 0.00 C ATOM 790 CE2 TYR A 53 -10.855 -4.208 -1.460 1.00 0.00 C ATOM 791 CZ TYR A 53 -11.491 -5.127 -2.311 1.00 0.00 C ATOM 792 OH TYR A 53 -12.093 -4.711 -3.461 1.00 0.00 O ATOM 0 H TYR A 53 -9.143 -5.518 3.105 1.00 0.00 H new ATOM 0 HA TYR A 53 -10.005 -8.036 1.822 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -8.259 -5.677 1.056 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -8.230 -7.183 0.161 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -10.551 -8.023 -0.771 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -9.734 -3.954 0.366 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -11.913 -7.210 -2.678 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -10.902 -3.151 -1.675 1.00 0.00 H new ATOM 0 HH TYR A 53 -11.589 -3.962 -3.842 1.00 0.00 H new ATOM 802 N ALA A 54 -8.058 -8.538 3.846 1.00 0.00 N ATOM 803 CA ALA A 54 -6.949 -9.305 4.413 1.00 0.00 C ATOM 804 C ALA A 54 -6.942 -10.753 3.878 1.00 0.00 C ATOM 805 O ALA A 54 -6.719 -11.706 4.631 1.00 0.00 O ATOM 806 CB ALA A 54 -7.064 -9.278 5.941 1.00 0.00 C ATOM 0 H ALA A 54 -8.845 -8.404 4.481 1.00 0.00 H new ATOM 0 HA ALA A 54 -6.004 -8.853 4.113 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -6.243 -9.846 6.378 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -7.018 -8.247 6.291 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -8.013 -9.722 6.242 1.00 0.00 H new ATOM 812 N GLY A 55 -7.163 -10.941 2.572 1.00 0.00 N ATOM 813 CA GLY A 55 -7.223 -12.228 1.894 1.00 0.00 C ATOM 814 C GLY A 55 -5.947 -12.443 1.087 1.00 0.00 C ATOM 815 O GLY A 55 -4.853 -12.173 1.587 1.00 0.00 O ATOM 0 H GLY A 55 -7.311 -10.159 1.934 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -7.343 -13.029 2.623 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -8.091 -12.263 1.236 1.00 0.00 H new ATOM 819 N LYS A 56 -6.068 -12.912 -0.157 1.00 0.00 N ATOM 820 CA LYS A 56 -4.933 -13.131 -1.050 1.00 0.00 C ATOM 821 C LYS A 56 -4.503 -11.801 -1.690 1.00 0.00 C ATOM 822 O LYS A 56 -4.273 -11.742 -2.894 1.00 0.00 O ATOM 823 CB LYS A 56 -5.324 -14.174 -2.116 1.00 0.00 C ATOM 824 CG LYS A 56 -6.584 -13.790 -2.917 1.00 0.00 C ATOM 825 CD LYS A 56 -6.595 -14.372 -4.341 1.00 0.00 C ATOM 826 CE LYS A 56 -5.575 -13.678 -5.257 1.00 0.00 C ATOM 827 NZ LYS A 56 -5.753 -14.066 -6.668 1.00 0.00 N ATOM 0 H LYS A 56 -6.967 -13.152 -0.575 1.00 0.00 H new ATOM 0 HA LYS A 56 -4.082 -13.515 -0.487 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -4.491 -14.307 -2.806 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -5.491 -15.135 -1.629 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -7.467 -14.138 -2.382 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -6.654 -12.704 -2.974 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -6.376 -15.439 -4.298 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -7.593 -14.269 -4.767 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -5.677 -12.597 -5.162 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -4.565 -13.932 -4.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -4.911 -13.790 -7.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -5.884 -15.096 -6.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -6.589 -13.586 -7.057 1.00 0.00 H new ATOM 841 N VAL A 57 -4.409 -10.735 -0.894 1.00 0.00 N ATOM 842 CA VAL A 57 -4.110 -9.380 -1.341 1.00 0.00 C ATOM 843 C VAL A 57 -3.010 -8.828 -0.448 1.00 0.00 C ATOM 844 O VAL A 57 -2.947 -9.208 0.722 1.00 0.00 O ATOM 845 CB VAL A 57 -5.383 -8.520 -1.215 1.00 0.00 C ATOM 846 CG1 VAL A 57 -5.176 -7.075 -1.691 1.00 0.00 C ATOM 847 CG2 VAL A 57 -6.597 -9.154 -1.913 1.00 0.00 C ATOM 0 H VAL A 57 -4.544 -10.797 0.115 1.00 0.00 H new ATOM 0 HA VAL A 57 -3.782 -9.371 -2.381 1.00 0.00 H new ATOM 0 HB VAL A 57 -5.599 -8.483 -0.147 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -6.106 -6.518 -1.578 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -4.396 -6.603 -1.093 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -4.879 -7.076 -2.740 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -7.465 -8.506 -1.793 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -6.382 -9.279 -2.974 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -6.806 -10.127 -1.468 1.00 0.00 H new ATOM 857 N ILE A 58 -2.149 -7.952 -0.977 1.00 0.00 N ATOM 858 CA ILE A 58 -1.097 -7.332 -0.182 1.00 0.00 C ATOM 859 C ILE A 58 -1.177 -5.829 -0.393 1.00 0.00 C ATOM 860 O ILE A 58 -1.250 -5.370 -1.528 1.00 0.00 O ATOM 861 CB ILE A 58 0.284 -7.904 -0.558 1.00 0.00 C ATOM 862 CG1 ILE A 58 0.373 -9.397 -0.189 1.00 0.00 C ATOM 863 CG2 ILE A 58 1.402 -7.138 0.166 1.00 0.00 C ATOM 864 CD1 ILE A 58 0.060 -10.327 -1.364 1.00 0.00 C ATOM 0 H ILE A 58 -2.165 -7.660 -1.954 1.00 0.00 H new ATOM 0 HA ILE A 58 -1.235 -7.551 0.877 1.00 0.00 H new ATOM 0 HB ILE A 58 0.409 -7.792 -1.635 1.00 0.00 H new ATOM 0 HG12 ILE A 58 1.375 -9.614 0.181 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.320 -9.605 0.626 1.00 0.00 H new ATOM 0 HG21 ILE A 58 2.369 -7.557 -0.112 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.366 -6.087 -0.119 1.00 0.00 H new ATOM 0 HG23 ILE A 58 1.265 -7.227 1.244 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.140 -11.364 -1.038 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.952 -10.135 -1.720 1.00 0.00 H new ATOM 0 HD13 ILE A 58 0.769 -10.144 -2.171 1.00 0.00 H new ATOM 876 N PHE A 59 -1.175 -5.062 0.694 1.00 0.00 N ATOM 877 CA PHE A 59 -1.189 -3.612 0.659 1.00 0.00 C ATOM 878 C PHE A 59 0.146 -3.158 1.214 1.00 0.00 C ATOM 879 O PHE A 59 0.617 -3.730 2.196 1.00 0.00 O ATOM 880 CB PHE A 59 -2.356 -3.057 1.478 1.00 0.00 C ATOM 881 CG PHE A 59 -3.736 -3.357 0.923 1.00 0.00 C ATOM 882 CD1 PHE A 59 -4.252 -4.666 0.958 1.00 0.00 C ATOM 883 CD2 PHE A 59 -4.576 -2.297 0.533 1.00 0.00 C ATOM 884 CE1 PHE A 59 -5.571 -4.913 0.542 1.00 0.00 C ATOM 885 CE2 PHE A 59 -5.884 -2.545 0.090 1.00 0.00 C ATOM 886 CZ PHE A 59 -6.379 -3.858 0.083 1.00 0.00 C ATOM 0 H PHE A 59 -1.163 -5.444 1.640 1.00 0.00 H new ATOM 0 HA PHE A 59 -1.329 -3.242 -0.357 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -2.293 -3.460 2.489 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -2.241 -1.976 1.558 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -3.634 -5.481 1.305 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -4.210 -1.282 0.575 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -5.966 -5.918 0.575 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -6.507 -1.729 -0.244 1.00 0.00 H new ATOM 0 HZ PHE A 59 -7.378 -4.058 -0.274 1.00 0.00 H new ATOM 896 N LEU A 60 0.780 -2.160 0.593 1.00 0.00 N ATOM 897 CA LEU A 60 2.090 -1.715 1.051 1.00 0.00 C ATOM 898 C LEU A 60 2.241 -0.218 0.813 1.00 0.00 C ATOM 899 O LEU A 60 2.016 0.249 -0.300 1.00 0.00 O ATOM 900 CB LEU A 60 3.144 -2.598 0.366 1.00 0.00 C ATOM 901 CG LEU A 60 3.882 -2.072 -0.868 1.00 0.00 C ATOM 902 CD1 LEU A 60 5.046 -1.127 -0.556 1.00 0.00 C ATOM 903 CD2 LEU A 60 4.474 -3.291 -1.565 1.00 0.00 C ATOM 0 H LEU A 60 0.412 -1.655 -0.213 1.00 0.00 H new ATOM 0 HA LEU A 60 2.223 -1.835 2.126 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.896 -2.849 1.114 1.00 0.00 H new ATOM 0 HB3 LEU A 60 2.655 -3.529 0.081 1.00 0.00 H new ATOM 0 HG LEU A 60 3.165 -1.506 -1.462 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.511 -0.803 -1.487 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.674 -0.257 -0.015 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.783 -1.647 0.056 1.00 0.00 H new ATOM 0 HD21 LEU A 60 5.014 -2.973 -2.457 1.00 0.00 H new ATOM 0 HD22 LEU A 60 5.159 -3.800 -0.887 1.00 0.00 H new ATOM 0 HD23 LEU A 60 3.672 -3.972 -1.850 1.00 0.00 H new ATOM 915 N LYS A 61 2.554 0.552 1.860 1.00 0.00 N ATOM 916 CA LYS A 61 2.747 1.997 1.701 1.00 0.00 C ATOM 917 C LYS A 61 4.201 2.349 1.361 1.00 0.00 C ATOM 918 O LYS A 61 5.127 1.728 1.874 1.00 0.00 O ATOM 919 CB LYS A 61 2.299 2.712 2.978 1.00 0.00 C ATOM 920 CG LYS A 61 2.389 4.237 2.832 1.00 0.00 C ATOM 921 CD LYS A 61 1.630 4.952 3.952 1.00 0.00 C ATOM 922 CE LYS A 61 2.258 4.690 5.327 1.00 0.00 C ATOM 923 NZ LYS A 61 1.578 5.459 6.381 1.00 0.00 N ATOM 0 H LYS A 61 2.678 0.207 2.812 1.00 0.00 H new ATOM 0 HA LYS A 61 2.138 2.333 0.862 1.00 0.00 H new ATOM 0 HB2 LYS A 61 1.273 2.428 3.214 1.00 0.00 H new ATOM 0 HB3 LYS A 61 2.919 2.389 3.814 1.00 0.00 H new ATOM 0 HG2 LYS A 61 3.435 4.544 2.846 1.00 0.00 H new ATOM 0 HG3 LYS A 61 1.982 4.536 1.866 1.00 0.00 H new ATOM 0 HD2 LYS A 61 1.619 6.024 3.756 1.00 0.00 H new ATOM 0 HD3 LYS A 61 0.592 4.619 3.957 1.00 0.00 H new ATOM 0 HE2 LYS A 61 2.203 3.626 5.557 1.00 0.00 H new ATOM 0 HE3 LYS A 61 3.315 4.957 5.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 2.025 5.261 7.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 1.652 6.475 6.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 0.575 5.185 6.418 1.00 0.00 H new ATOM 937 N VAL A 62 4.403 3.359 0.507 1.00 0.00 N ATOM 938 CA VAL A 62 5.723 3.862 0.146 1.00 0.00 C ATOM 939 C VAL A 62 5.710 5.384 0.264 1.00 0.00 C ATOM 940 O VAL A 62 4.803 6.042 -0.255 1.00 0.00 O ATOM 941 CB VAL A 62 6.109 3.446 -1.282 1.00 0.00 C ATOM 942 CG1 VAL A 62 7.533 3.912 -1.619 1.00 0.00 C ATOM 943 CG2 VAL A 62 6.040 1.929 -1.454 1.00 0.00 C ATOM 0 H VAL A 62 3.640 3.853 0.044 1.00 0.00 H new ATOM 0 HA VAL A 62 6.464 3.436 0.822 1.00 0.00 H new ATOM 0 HB VAL A 62 5.396 3.919 -1.957 1.00 0.00 H new ATOM 0 HG11 VAL A 62 7.785 3.607 -2.635 1.00 0.00 H new ATOM 0 HG12 VAL A 62 7.588 4.998 -1.542 1.00 0.00 H new ATOM 0 HG13 VAL A 62 8.238 3.463 -0.920 1.00 0.00 H new ATOM 0 HG21 VAL A 62 6.318 1.665 -2.474 1.00 0.00 H new ATOM 0 HG22 VAL A 62 6.728 1.452 -0.756 1.00 0.00 H new ATOM 0 HG23 VAL A 62 5.025 1.586 -1.255 1.00 0.00 H new ATOM 953 N ASP A 63 6.717 5.933 0.948 1.00 0.00 N ATOM 954 CA ASP A 63 6.906 7.369 1.070 1.00 0.00 C ATOM 955 C ASP A 63 7.648 7.824 -0.189 1.00 0.00 C ATOM 956 O ASP A 63 8.862 7.668 -0.287 1.00 0.00 O ATOM 957 CB ASP A 63 7.685 7.694 2.352 1.00 0.00 C ATOM 958 CG ASP A 63 7.867 9.199 2.548 1.00 0.00 C ATOM 959 OD1 ASP A 63 8.310 9.860 1.587 1.00 0.00 O ATOM 960 OD2 ASP A 63 7.552 9.681 3.658 1.00 0.00 O ATOM 0 H ASP A 63 7.426 5.384 1.434 1.00 0.00 H new ATOM 0 HA ASP A 63 5.956 7.897 1.149 1.00 0.00 H new ATOM 0 HB2 ASP A 63 7.158 7.278 3.211 1.00 0.00 H new ATOM 0 HB3 ASP A 63 8.662 7.213 2.314 1.00 0.00 H new ATOM 965 N VAL A 64 6.916 8.372 -1.157 1.00 0.00 N ATOM 966 CA VAL A 64 7.455 8.859 -2.422 1.00 0.00 C ATOM 967 C VAL A 64 8.590 9.856 -2.193 1.00 0.00 C ATOM 968 O VAL A 64 9.601 9.805 -2.890 1.00 0.00 O ATOM 969 CB VAL A 64 6.312 9.508 -3.226 1.00 0.00 C ATOM 970 CG1 VAL A 64 6.812 10.332 -4.421 1.00 0.00 C ATOM 971 CG2 VAL A 64 5.378 8.408 -3.735 1.00 0.00 C ATOM 0 H VAL A 64 5.906 8.492 -1.080 1.00 0.00 H new ATOM 0 HA VAL A 64 7.872 8.022 -2.982 1.00 0.00 H new ATOM 0 HB VAL A 64 5.793 10.194 -2.556 1.00 0.00 H new ATOM 0 HG11 VAL A 64 5.960 10.763 -4.947 1.00 0.00 H new ATOM 0 HG12 VAL A 64 7.462 11.132 -4.065 1.00 0.00 H new ATOM 0 HG13 VAL A 64 7.369 9.687 -5.100 1.00 0.00 H new ATOM 0 HG21 VAL A 64 4.565 8.856 -4.306 1.00 0.00 H new ATOM 0 HG22 VAL A 64 5.936 7.724 -4.374 1.00 0.00 H new ATOM 0 HG23 VAL A 64 4.967 7.859 -2.888 1.00 0.00 H new ATOM 981 N ASP A 65 8.407 10.774 -1.241 1.00 0.00 N ATOM 982 CA ASP A 65 9.381 11.816 -0.956 1.00 0.00 C ATOM 983 C ASP A 65 10.743 11.201 -0.631 1.00 0.00 C ATOM 984 O ASP A 65 11.761 11.592 -1.193 1.00 0.00 O ATOM 985 CB ASP A 65 8.887 12.687 0.203 1.00 0.00 C ATOM 986 CG ASP A 65 9.657 13.996 0.235 1.00 0.00 C ATOM 987 OD1 ASP A 65 9.306 14.857 -0.602 1.00 0.00 O ATOM 988 OD2 ASP A 65 10.557 14.117 1.091 1.00 0.00 O ATOM 0 H ASP A 65 7.577 10.811 -0.649 1.00 0.00 H new ATOM 0 HA ASP A 65 9.497 12.444 -1.839 1.00 0.00 H new ATOM 0 HB2 ASP A 65 7.821 12.885 0.091 1.00 0.00 H new ATOM 0 HB3 ASP A 65 9.015 12.157 1.147 1.00 0.00 H new ATOM 993 N ALA A 66 10.743 10.224 0.277 1.00 0.00 N ATOM 994 CA ALA A 66 11.949 9.535 0.694 1.00 0.00 C ATOM 995 C ALA A 66 12.442 8.601 -0.412 1.00 0.00 C ATOM 996 O ALA A 66 13.559 8.746 -0.906 1.00 0.00 O ATOM 997 CB ALA A 66 11.669 8.758 1.985 1.00 0.00 C ATOM 0 H ALA A 66 9.898 9.892 0.742 1.00 0.00 H new ATOM 0 HA ALA A 66 12.735 10.265 0.885 1.00 0.00 H new ATOM 0 HB1 ALA A 66 12.574 8.239 2.301 1.00 0.00 H new ATOM 0 HB2 ALA A 66 11.357 9.451 2.766 1.00 0.00 H new ATOM 0 HB3 ALA A 66 10.877 8.031 1.807 1.00 0.00 H new ATOM 1003 N VAL A 67 11.613 7.639 -0.825 1.00 0.00 N ATOM 1004 CA VAL A 67 11.995 6.627 -1.802 1.00 0.00 C ATOM 1005 C VAL A 67 11.839 7.166 -3.232 1.00 0.00 C ATOM 1006 O VAL A 67 11.202 6.544 -4.089 1.00 0.00 O ATOM 1007 CB VAL A 67 11.181 5.339 -1.573 1.00 0.00 C ATOM 1008 CG1 VAL A 67 11.950 4.161 -2.173 1.00 0.00 C ATOM 1009 CG2 VAL A 67 10.967 5.002 -0.095 1.00 0.00 C ATOM 0 H VAL A 67 10.655 7.543 -0.487 1.00 0.00 H new ATOM 0 HA VAL A 67 13.048 6.380 -1.670 1.00 0.00 H new ATOM 0 HB VAL A 67 10.209 5.507 -2.036 1.00 0.00 H new ATOM 0 HG11 VAL A 67 11.386 3.241 -2.018 1.00 0.00 H new ATOM 0 HG12 VAL A 67 12.091 4.325 -3.241 1.00 0.00 H new ATOM 0 HG13 VAL A 67 12.922 4.076 -1.687 1.00 0.00 H new ATOM 0 HG21 VAL A 67 10.386 4.083 -0.012 1.00 0.00 H new ATOM 0 HG22 VAL A 67 11.933 4.866 0.391 1.00 0.00 H new ATOM 0 HG23 VAL A 67 10.429 5.817 0.390 1.00 0.00 H new ATOM 1019 N ALA A 68 12.485 8.303 -3.503 1.00 0.00 N ATOM 1020 CA ALA A 68 12.440 8.971 -4.796 1.00 0.00 C ATOM 1021 C ALA A 68 12.833 8.012 -5.922 1.00 0.00 C ATOM 1022 O ALA A 68 12.151 7.944 -6.939 1.00 0.00 O ATOM 1023 CB ALA A 68 13.371 10.186 -4.766 1.00 0.00 C ATOM 0 H ALA A 68 13.062 8.789 -2.816 1.00 0.00 H new ATOM 0 HA ALA A 68 11.420 9.303 -4.992 1.00 0.00 H new ATOM 0 HB1 ALA A 68 13.342 10.691 -5.732 1.00 0.00 H new ATOM 0 HB2 ALA A 68 13.045 10.875 -3.987 1.00 0.00 H new ATOM 0 HB3 ALA A 68 14.390 9.859 -4.558 1.00 0.00 H new ATOM 1029 N ALA A 69 13.918 7.255 -5.725 1.00 0.00 N ATOM 1030 CA ALA A 69 14.443 6.313 -6.708 1.00 0.00 C ATOM 1031 C ALA A 69 13.379 5.307 -7.162 1.00 0.00 C ATOM 1032 O ALA A 69 13.105 5.180 -8.355 1.00 0.00 O ATOM 1033 CB ALA A 69 15.650 5.585 -6.108 1.00 0.00 C ATOM 0 H ALA A 69 14.462 7.283 -4.862 1.00 0.00 H new ATOM 0 HA ALA A 69 14.749 6.872 -7.593 1.00 0.00 H new ATOM 0 HB1 ALA A 69 16.048 4.879 -6.837 1.00 0.00 H new ATOM 0 HB2 ALA A 69 16.420 6.311 -5.848 1.00 0.00 H new ATOM 0 HB3 ALA A 69 15.342 5.046 -5.212 1.00 0.00 H new ATOM 1039 N VAL A 70 12.781 4.577 -6.215 1.00 0.00 N ATOM 1040 CA VAL A 70 11.775 3.574 -6.547 1.00 0.00 C ATOM 1041 C VAL A 70 10.577 4.277 -7.172 1.00 0.00 C ATOM 1042 O VAL A 70 10.049 3.801 -8.168 1.00 0.00 O ATOM 1043 CB VAL A 70 11.360 2.760 -5.311 1.00 0.00 C ATOM 1044 CG1 VAL A 70 10.376 1.634 -5.662 1.00 0.00 C ATOM 1045 CG2 VAL A 70 12.590 2.107 -4.672 1.00 0.00 C ATOM 0 H VAL A 70 12.978 4.664 -5.218 1.00 0.00 H new ATOM 0 HA VAL A 70 12.196 2.864 -7.259 1.00 0.00 H new ATOM 0 HB VAL A 70 10.880 3.460 -4.627 1.00 0.00 H new ATOM 0 HG11 VAL A 70 10.112 1.087 -4.757 1.00 0.00 H new ATOM 0 HG12 VAL A 70 9.476 2.062 -6.103 1.00 0.00 H new ATOM 0 HG13 VAL A 70 10.841 0.953 -6.375 1.00 0.00 H new ATOM 0 HG21 VAL A 70 12.284 1.533 -3.797 1.00 0.00 H new ATOM 0 HG22 VAL A 70 13.066 1.443 -5.394 1.00 0.00 H new ATOM 0 HG23 VAL A 70 13.297 2.880 -4.370 1.00 0.00 H new ATOM 1055 N ALA A 71 10.152 5.406 -6.602 1.00 0.00 N ATOM 1056 CA ALA A 71 9.019 6.155 -7.131 1.00 0.00 C ATOM 1057 C ALA A 71 9.219 6.521 -8.612 1.00 0.00 C ATOM 1058 O ALA A 71 8.384 6.194 -9.458 1.00 0.00 O ATOM 1059 CB ALA A 71 8.796 7.404 -6.272 1.00 0.00 C ATOM 0 H ALA A 71 10.579 5.819 -5.773 1.00 0.00 H new ATOM 0 HA ALA A 71 8.130 5.526 -7.085 1.00 0.00 H new ATOM 0 HB1 ALA A 71 7.949 7.968 -6.663 1.00 0.00 H new ATOM 0 HB2 ALA A 71 8.590 7.106 -5.244 1.00 0.00 H new ATOM 0 HB3 ALA A 71 9.690 8.027 -6.297 1.00 0.00 H new ATOM 1065 N GLU A 72 10.321 7.197 -8.952 1.00 0.00 N ATOM 1066 CA GLU A 72 10.555 7.610 -10.330 1.00 0.00 C ATOM 1067 C GLU A 72 10.753 6.388 -11.234 1.00 0.00 C ATOM 1068 O GLU A 72 10.212 6.358 -12.336 1.00 0.00 O ATOM 1069 CB GLU A 72 11.715 8.616 -10.409 1.00 0.00 C ATOM 1070 CG GLU A 72 13.101 8.034 -10.107 1.00 0.00 C ATOM 1071 CD GLU A 72 14.144 9.135 -9.945 1.00 0.00 C ATOM 1072 OE1 GLU A 72 14.514 9.719 -10.986 1.00 0.00 O ATOM 1073 OE2 GLU A 72 14.545 9.375 -8.786 1.00 0.00 O ATOM 0 H GLU A 72 11.055 7.465 -8.296 1.00 0.00 H new ATOM 0 HA GLU A 72 9.672 8.130 -10.702 1.00 0.00 H new ATOM 0 HB2 GLU A 72 11.731 9.052 -11.408 1.00 0.00 H new ATOM 0 HB3 GLU A 72 11.519 9.429 -9.710 1.00 0.00 H new ATOM 0 HG2 GLU A 72 13.056 7.437 -9.196 1.00 0.00 H new ATOM 0 HG3 GLU A 72 13.399 7.364 -10.913 1.00 0.00 H new ATOM 1080 N ALA A 73 11.502 5.376 -10.777 1.00 0.00 N ATOM 1081 CA ALA A 73 11.737 4.173 -11.568 1.00 0.00 C ATOM 1082 C ALA A 73 10.421 3.440 -11.856 1.00 0.00 C ATOM 1083 O ALA A 73 10.184 2.999 -12.978 1.00 0.00 O ATOM 1084 CB ALA A 73 12.709 3.254 -10.824 1.00 0.00 C ATOM 0 H ALA A 73 11.953 5.372 -9.862 1.00 0.00 H new ATOM 0 HA ALA A 73 12.174 4.462 -12.524 1.00 0.00 H new ATOM 0 HB1 ALA A 73 12.885 2.355 -11.415 1.00 0.00 H new ATOM 0 HB2 ALA A 73 13.653 3.775 -10.666 1.00 0.00 H new ATOM 0 HB3 ALA A 73 12.282 2.977 -9.860 1.00 0.00 H new ATOM 1090 N ALA A 74 9.579 3.293 -10.832 1.00 0.00 N ATOM 1091 CA ALA A 74 8.293 2.619 -10.916 1.00 0.00 C ATOM 1092 C ALA A 74 7.356 3.380 -11.850 1.00 0.00 C ATOM 1093 O ALA A 74 6.701 2.779 -12.697 1.00 0.00 O ATOM 1094 CB ALA A 74 7.699 2.492 -9.510 1.00 0.00 C ATOM 0 H ALA A 74 9.783 3.651 -9.899 1.00 0.00 H new ATOM 0 HA ALA A 74 8.427 1.619 -11.330 1.00 0.00 H new ATOM 0 HB1 ALA A 74 6.735 1.987 -9.567 1.00 0.00 H new ATOM 0 HB2 ALA A 74 8.375 1.913 -8.880 1.00 0.00 H new ATOM 0 HB3 ALA A 74 7.564 3.485 -9.081 1.00 0.00 H new ATOM 1100 N GLY A 75 7.268 4.699 -11.659 1.00 0.00 N ATOM 1101 CA GLY A 75 6.430 5.580 -12.462 1.00 0.00 C ATOM 1102 C GLY A 75 5.337 6.214 -11.606 1.00 0.00 C ATOM 1103 O GLY A 75 4.160 5.863 -11.717 1.00 0.00 O ATOM 0 H GLY A 75 7.787 5.188 -10.930 1.00 0.00 H new ATOM 0 HA2 GLY A 75 7.043 6.360 -12.914 1.00 0.00 H new ATOM 0 HA3 GLY A 75 5.978 5.016 -13.278 1.00 0.00 H new ATOM 1107 N ILE A 76 5.743 7.134 -10.730 1.00 0.00 N ATOM 1108 CA ILE A 76 4.857 7.913 -9.872 1.00 0.00 C ATOM 1109 C ILE A 76 4.679 9.284 -10.518 1.00 0.00 C ATOM 1110 O ILE A 76 5.602 9.792 -11.154 1.00 0.00 O ATOM 1111 CB ILE A 76 5.455 7.998 -8.455 1.00 0.00 C ATOM 1112 CG1 ILE A 76 5.106 6.755 -7.620 1.00 0.00 C ATOM 1113 CG2 ILE A 76 4.933 9.210 -7.665 1.00 0.00 C ATOM 1114 CD1 ILE A 76 5.257 5.424 -8.353 1.00 0.00 C ATOM 0 H ILE A 76 6.728 7.363 -10.596 1.00 0.00 H new ATOM 0 HA ILE A 76 3.878 7.445 -9.770 1.00 0.00 H new ATOM 0 HB ILE A 76 6.531 8.083 -8.609 1.00 0.00 H new ATOM 0 HG12 ILE A 76 5.742 6.740 -6.735 1.00 0.00 H new ATOM 0 HG13 ILE A 76 4.077 6.847 -7.272 1.00 0.00 H new ATOM 0 HG21 ILE A 76 5.387 9.221 -6.674 1.00 0.00 H new ATOM 0 HG22 ILE A 76 5.192 10.128 -8.193 1.00 0.00 H new ATOM 0 HG23 ILE A 76 3.850 9.141 -7.567 1.00 0.00 H new ATOM 0 HD11 ILE A 76 4.989 4.607 -7.683 1.00 0.00 H new ATOM 0 HD12 ILE A 76 4.600 5.411 -9.223 1.00 0.00 H new ATOM 0 HD13 ILE A 76 6.290 5.302 -8.677 1.00 0.00 H new ATOM 1126 N THR A 77 3.487 9.869 -10.373 1.00 0.00 N ATOM 1127 CA THR A 77 3.175 11.184 -10.916 1.00 0.00 C ATOM 1128 C THR A 77 2.411 11.978 -9.855 1.00 0.00 C ATOM 1129 O THR A 77 3.016 12.688 -9.058 1.00 0.00 O ATOM 1130 CB THR A 77 2.379 11.033 -12.225 1.00 0.00 C ATOM 1131 OG1 THR A 77 1.273 10.176 -12.020 1.00 0.00 O ATOM 1132 CG2 THR A 77 3.243 10.453 -13.350 1.00 0.00 C ATOM 0 H THR A 77 2.710 9.437 -9.872 1.00 0.00 H new ATOM 0 HA THR A 77 4.085 11.731 -11.161 1.00 0.00 H new ATOM 0 HB THR A 77 2.044 12.028 -12.518 1.00 0.00 H new ATOM 0 HG1 THR A 77 0.770 10.086 -12.856 1.00 0.00 H new ATOM 0 HG21 THR A 77 2.646 10.362 -14.257 1.00 0.00 H new ATOM 0 HG22 THR A 77 4.089 11.115 -13.537 1.00 0.00 H new ATOM 0 HG23 THR A 77 3.610 9.469 -13.057 1.00 0.00 H new ATOM 1140 N ALA A 78 1.084 11.851 -9.844 1.00 0.00 N ATOM 1141 CA ALA A 78 0.219 12.520 -8.887 1.00 0.00 C ATOM 1142 C ALA A 78 0.041 11.614 -7.672 1.00 0.00 C ATOM 1143 O ALA A 78 -0.574 10.552 -7.773 1.00 0.00 O ATOM 1144 CB ALA A 78 -1.126 12.837 -9.547 1.00 0.00 C ATOM 0 H ALA A 78 0.577 11.270 -10.512 1.00 0.00 H new ATOM 0 HA ALA A 78 0.663 13.461 -8.561 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -1.774 13.339 -8.829 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -0.965 13.487 -10.407 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -1.597 11.911 -9.876 1.00 0.00 H new ATOM 1150 N MET A 79 0.606 12.004 -6.527 1.00 0.00 N ATOM 1151 CA MET A 79 0.447 11.248 -5.296 1.00 0.00 C ATOM 1152 C MET A 79 -0.959 11.534 -4.741 1.00 0.00 C ATOM 1153 O MET A 79 -1.401 12.680 -4.804 1.00 0.00 O ATOM 1154 CB MET A 79 1.521 11.641 -4.266 1.00 0.00 C ATOM 1155 CG MET A 79 2.950 11.369 -4.757 1.00 0.00 C ATOM 1156 SD MET A 79 3.674 12.589 -5.885 1.00 0.00 S ATOM 1157 CE MET A 79 4.095 13.911 -4.728 1.00 0.00 C ATOM 0 H MET A 79 1.179 12.843 -6.433 1.00 0.00 H new ATOM 0 HA MET A 79 0.565 10.184 -5.499 1.00 0.00 H new ATOM 0 HB2 MET A 79 1.419 12.700 -4.029 1.00 0.00 H new ATOM 0 HB3 MET A 79 1.349 11.090 -3.342 1.00 0.00 H new ATOM 0 HG2 MET A 79 3.599 11.286 -3.885 1.00 0.00 H new ATOM 0 HG3 MET A 79 2.959 10.399 -5.254 1.00 0.00 H new ATOM 0 HE1 MET A 79 4.552 14.738 -5.271 1.00 0.00 H new ATOM 0 HE2 MET A 79 3.191 14.260 -4.229 1.00 0.00 H new ATOM 0 HE3 MET A 79 4.797 13.534 -3.984 1.00 0.00 H new ATOM 1167 N PRO A 80 -1.669 10.540 -4.185 1.00 0.00 N ATOM 1168 CA PRO A 80 -1.259 9.151 -4.080 1.00 0.00 C ATOM 1169 C PRO A 80 -1.322 8.456 -5.441 1.00 0.00 C ATOM 1170 O PRO A 80 -2.235 8.705 -6.226 1.00 0.00 O ATOM 1171 CB PRO A 80 -2.245 8.484 -3.118 1.00 0.00 C ATOM 1172 CG PRO A 80 -2.896 9.650 -2.385 1.00 0.00 C ATOM 1173 CD PRO A 80 -2.903 10.745 -3.449 1.00 0.00 C ATOM 0 HA PRO A 80 -0.231 9.080 -3.726 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -2.984 7.888 -3.654 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -1.735 7.813 -2.426 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -3.903 9.406 -2.047 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -2.327 9.944 -1.503 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -3.773 10.661 -4.100 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -2.937 11.737 -2.998 1.00 0.00 H new ATOM 1181 N THR A 81 -0.347 7.594 -5.716 1.00 0.00 N ATOM 1182 CA THR A 81 -0.289 6.770 -6.908 1.00 0.00 C ATOM 1183 C THR A 81 -0.408 5.318 -6.440 1.00 0.00 C ATOM 1184 O THR A 81 0.311 4.909 -5.526 1.00 0.00 O ATOM 1185 CB THR A 81 1.013 7.050 -7.673 1.00 0.00 C ATOM 1186 OG1 THR A 81 0.992 8.336 -8.271 1.00 0.00 O ATOM 1187 CG2 THR A 81 1.224 6.012 -8.779 1.00 0.00 C ATOM 0 H THR A 81 0.447 7.449 -5.092 1.00 0.00 H new ATOM 0 HA THR A 81 -1.097 6.990 -7.605 1.00 0.00 H new ATOM 0 HB THR A 81 1.826 6.998 -6.949 1.00 0.00 H new ATOM 0 HG1 THR A 81 0.289 8.878 -7.856 1.00 0.00 H new ATOM 0 HG21 THR A 81 2.152 6.228 -9.309 1.00 0.00 H new ATOM 0 HG22 THR A 81 1.282 5.017 -8.338 1.00 0.00 H new ATOM 0 HG23 THR A 81 0.389 6.051 -9.479 1.00 0.00 H new ATOM 1195 N PHE A 82 -1.316 4.550 -7.049 1.00 0.00 N ATOM 1196 CA PHE A 82 -1.537 3.155 -6.709 1.00 0.00 C ATOM 1197 C PHE A 82 -1.064 2.284 -7.864 1.00 0.00 C ATOM 1198 O PHE A 82 -1.532 2.470 -8.982 1.00 0.00 O ATOM 1199 CB PHE A 82 -3.014 2.932 -6.380 1.00 0.00 C ATOM 1200 CG PHE A 82 -3.451 3.740 -5.172 1.00 0.00 C ATOM 1201 CD1 PHE A 82 -3.064 3.319 -3.885 1.00 0.00 C ATOM 1202 CD2 PHE A 82 -4.118 4.969 -5.331 1.00 0.00 C ATOM 1203 CE1 PHE A 82 -3.351 4.117 -2.766 1.00 0.00 C ATOM 1204 CE2 PHE A 82 -4.403 5.767 -4.208 1.00 0.00 C ATOM 1205 CZ PHE A 82 -3.990 5.356 -2.927 1.00 0.00 C ATOM 0 H PHE A 82 -1.920 4.889 -7.798 1.00 0.00 H new ATOM 0 HA PHE A 82 -0.965 2.879 -5.823 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -3.624 3.207 -7.241 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -3.188 1.873 -6.191 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -2.545 2.380 -3.758 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -4.411 5.300 -6.316 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -3.079 3.776 -1.778 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -4.940 6.696 -4.329 1.00 0.00 H new ATOM 0 HZ PHE A 82 -4.164 5.992 -2.071 1.00 0.00 H new ATOM 1215 N HIS A 83 -0.124 1.366 -7.617 1.00 0.00 N ATOM 1216 CA HIS A 83 0.378 0.420 -8.611 1.00 0.00 C ATOM 1217 C HIS A 83 0.021 -0.984 -8.133 1.00 0.00 C ATOM 1218 O HIS A 83 0.068 -1.219 -6.928 1.00 0.00 O ATOM 1219 CB HIS A 83 1.902 0.505 -8.712 1.00 0.00 C ATOM 1220 CG HIS A 83 2.494 1.678 -9.447 1.00 0.00 C ATOM 1221 ND1 HIS A 83 3.859 1.694 -9.733 1.00 0.00 N ATOM 1222 CD2 HIS A 83 1.923 2.827 -9.933 1.00 0.00 C ATOM 1223 CE1 HIS A 83 4.050 2.845 -10.381 1.00 0.00 C ATOM 1224 NE2 HIS A 83 2.928 3.559 -10.535 1.00 0.00 N ATOM 0 H HIS A 83 0.316 1.260 -6.703 1.00 0.00 H new ATOM 0 HA HIS A 83 -0.061 0.648 -9.583 1.00 0.00 H new ATOM 0 HB2 HIS A 83 2.305 0.507 -7.699 1.00 0.00 H new ATOM 0 HB3 HIS A 83 2.257 -0.406 -9.194 1.00 0.00 H new ATOM 0 HD2 HIS A 83 0.883 3.107 -9.859 1.00 0.00 H new ATOM 0 HE1 HIS A 83 5.014 3.168 -10.745 1.00 0.00 H new ATOM 0 HE2 HIS A 83 2.834 4.461 -11.002 1.00 0.00 H new ATOM 1232 N VAL A 84 -0.306 -1.910 -9.041 1.00 0.00 N ATOM 1233 CA VAL A 84 -0.634 -3.289 -8.695 1.00 0.00 C ATOM 1234 C VAL A 84 0.442 -4.211 -9.284 1.00 0.00 C ATOM 1235 O VAL A 84 0.439 -4.463 -10.490 1.00 0.00 O ATOM 1236 CB VAL A 84 -2.040 -3.654 -9.208 1.00 0.00 C ATOM 1237 CG1 VAL A 84 -2.487 -4.953 -8.527 1.00 0.00 C ATOM 1238 CG2 VAL A 84 -3.075 -2.564 -8.898 1.00 0.00 C ATOM 0 H VAL A 84 -0.350 -1.718 -10.042 1.00 0.00 H new ATOM 0 HA VAL A 84 -0.649 -3.411 -7.612 1.00 0.00 H new ATOM 0 HB VAL A 84 -1.981 -3.765 -10.291 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -3.482 -5.225 -8.880 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -1.785 -5.751 -8.769 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -2.512 -4.808 -7.447 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -4.050 -2.869 -9.280 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -3.137 -2.417 -7.820 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -2.774 -1.631 -9.374 1.00 0.00 H new ATOM 1248 N TYR A 85 1.363 -4.719 -8.455 1.00 0.00 N ATOM 1249 CA TYR A 85 2.450 -5.579 -8.927 1.00 0.00 C ATOM 1250 C TYR A 85 2.088 -7.057 -8.774 1.00 0.00 C ATOM 1251 O TYR A 85 2.301 -7.634 -7.712 1.00 0.00 O ATOM 1252 CB TYR A 85 3.759 -5.267 -8.188 1.00 0.00 C ATOM 1253 CG TYR A 85 4.401 -3.964 -8.613 1.00 0.00 C ATOM 1254 CD1 TYR A 85 3.990 -2.761 -8.020 1.00 0.00 C ATOM 1255 CD2 TYR A 85 5.376 -3.945 -9.628 1.00 0.00 C ATOM 1256 CE1 TYR A 85 4.550 -1.544 -8.438 1.00 0.00 C ATOM 1257 CE2 TYR A 85 5.892 -2.720 -10.086 1.00 0.00 C ATOM 1258 CZ TYR A 85 5.441 -1.515 -9.520 1.00 0.00 C ATOM 1259 OH TYR A 85 5.784 -0.325 -10.086 1.00 0.00 O ATOM 0 H TYR A 85 1.375 -4.547 -7.450 1.00 0.00 H new ATOM 0 HA TYR A 85 2.598 -5.373 -9.987 1.00 0.00 H new ATOM 0 HB2 TYR A 85 3.562 -5.232 -7.117 1.00 0.00 H new ATOM 0 HB3 TYR A 85 4.464 -6.081 -8.356 1.00 0.00 H new ATOM 0 HD1 TYR A 85 3.242 -2.771 -7.241 1.00 0.00 H new ATOM 0 HD2 TYR A 85 5.728 -4.872 -10.055 1.00 0.00 H new ATOM 0 HE1 TYR A 85 4.294 -0.628 -7.925 1.00 0.00 H new ATOM 0 HE2 TYR A 85 6.633 -2.705 -10.871 1.00 0.00 H new ATOM 0 HH TYR A 85 5.073 0.330 -9.927 1.00 0.00 H new ATOM 1269 N LYS A 86 1.540 -7.680 -9.822 1.00 0.00 N ATOM 1270 CA LYS A 86 1.265 -9.116 -9.805 1.00 0.00 C ATOM 1271 C LYS A 86 2.498 -9.823 -10.359 1.00 0.00 C ATOM 1272 O LYS A 86 3.110 -9.313 -11.300 1.00 0.00 O ATOM 1273 CB LYS A 86 0.009 -9.460 -10.615 1.00 0.00 C ATOM 1274 CG LYS A 86 -1.176 -8.670 -10.057 1.00 0.00 C ATOM 1275 CD LYS A 86 -2.545 -9.146 -10.560 1.00 0.00 C ATOM 1276 CE LYS A 86 -2.611 -9.294 -12.083 1.00 0.00 C ATOM 1277 NZ LYS A 86 -4.002 -9.267 -12.568 1.00 0.00 N ATOM 0 H LYS A 86 1.279 -7.212 -10.690 1.00 0.00 H new ATOM 0 HA LYS A 86 1.065 -9.448 -8.786 1.00 0.00 H new ATOM 0 HB2 LYS A 86 0.161 -9.217 -11.667 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -0.193 -10.530 -10.561 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -1.160 -8.733 -8.969 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -1.052 -7.619 -10.317 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -2.781 -10.104 -10.098 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -3.309 -8.439 -10.237 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -2.045 -8.490 -12.553 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -2.139 -10.231 -12.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -4.013 -9.404 -13.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -4.543 -10.029 -12.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -4.433 -8.349 -12.336 1.00 0.00 H new ATOM 1291 N ASP A 87 2.868 -10.960 -9.760 1.00 0.00 N ATOM 1292 CA ASP A 87 4.028 -11.809 -10.062 1.00 0.00 C ATOM 1293 C ASP A 87 5.330 -11.094 -9.695 1.00 0.00 C ATOM 1294 O ASP A 87 6.119 -11.559 -8.879 1.00 0.00 O ATOM 1295 CB ASP A 87 4.030 -12.237 -11.536 1.00 0.00 C ATOM 1296 CG ASP A 87 5.174 -13.207 -11.805 1.00 0.00 C ATOM 1297 OD1 ASP A 87 5.017 -14.388 -11.432 1.00 0.00 O ATOM 1298 OD2 ASP A 87 6.187 -12.741 -12.370 1.00 0.00 O ATOM 0 H ASP A 87 2.320 -11.342 -8.989 1.00 0.00 H new ATOM 0 HA ASP A 87 3.954 -12.712 -9.456 1.00 0.00 H new ATOM 0 HB2 ASP A 87 3.079 -12.708 -11.786 1.00 0.00 H new ATOM 0 HB3 ASP A 87 4.130 -11.360 -12.176 1.00 0.00 H new ATOM 1303 N GLY A 88 5.525 -9.941 -10.315 1.00 0.00 N ATOM 1304 CA GLY A 88 6.619 -9.012 -10.116 1.00 0.00 C ATOM 1305 C GLY A 88 6.595 -7.934 -11.197 1.00 0.00 C ATOM 1306 O GLY A 88 7.644 -7.402 -11.549 1.00 0.00 O ATOM 0 H GLY A 88 4.871 -9.608 -11.024 1.00 0.00 H new ATOM 0 HA2 GLY A 88 6.541 -8.552 -9.131 1.00 0.00 H new ATOM 0 HA3 GLY A 88 7.569 -9.545 -10.144 1.00 0.00 H new ATOM 1310 N VAL A 89 5.409 -7.608 -11.735 1.00 0.00 N ATOM 1311 CA VAL A 89 5.252 -6.648 -12.815 1.00 0.00 C ATOM 1312 C VAL A 89 4.012 -5.801 -12.535 1.00 0.00 C ATOM 1313 O VAL A 89 2.979 -6.334 -12.125 1.00 0.00 O ATOM 1314 CB VAL A 89 5.099 -7.395 -14.156 1.00 0.00 C ATOM 1315 CG1 VAL A 89 5.027 -6.407 -15.330 1.00 0.00 C ATOM 1316 CG2 VAL A 89 6.256 -8.372 -14.408 1.00 0.00 C ATOM 0 H VAL A 89 4.528 -8.014 -11.421 1.00 0.00 H new ATOM 0 HA VAL A 89 6.129 -6.003 -12.877 1.00 0.00 H new ATOM 0 HB VAL A 89 4.170 -7.961 -14.088 1.00 0.00 H new ATOM 0 HG11 VAL A 89 4.919 -6.959 -16.264 1.00 0.00 H new ATOM 0 HG12 VAL A 89 4.170 -5.747 -15.198 1.00 0.00 H new ATOM 0 HG13 VAL A 89 5.941 -5.813 -15.363 1.00 0.00 H new ATOM 0 HG21 VAL A 89 6.106 -8.875 -15.363 1.00 0.00 H new ATOM 0 HG22 VAL A 89 7.197 -7.823 -14.431 1.00 0.00 H new ATOM 0 HG23 VAL A 89 6.287 -9.113 -13.609 1.00 0.00 H new ATOM 1326 N LYS A 90 4.126 -4.484 -12.740 1.00 0.00 N ATOM 1327 CA LYS A 90 3.020 -3.543 -12.629 1.00 0.00 C ATOM 1328 C LYS A 90 1.962 -3.949 -13.656 1.00 0.00 C ATOM 1329 O LYS A 90 2.060 -3.594 -14.829 1.00 0.00 O ATOM 1330 CB LYS A 90 3.531 -2.118 -12.889 1.00 0.00 C ATOM 1331 CG LYS A 90 2.422 -1.066 -12.730 1.00 0.00 C ATOM 1332 CD LYS A 90 2.999 0.354 -12.836 1.00 0.00 C ATOM 1333 CE LYS A 90 3.489 0.723 -14.242 1.00 0.00 C ATOM 1334 NZ LYS A 90 2.425 0.582 -15.252 1.00 0.00 N ATOM 0 H LYS A 90 5.009 -4.040 -12.992 1.00 0.00 H new ATOM 0 HA LYS A 90 2.584 -3.561 -11.630 1.00 0.00 H new ATOM 0 HB2 LYS A 90 4.344 -1.894 -12.198 1.00 0.00 H new ATOM 0 HB3 LYS A 90 3.943 -2.060 -13.896 1.00 0.00 H new ATOM 0 HG2 LYS A 90 1.662 -1.213 -13.498 1.00 0.00 H new ATOM 0 HG3 LYS A 90 1.930 -1.193 -11.766 1.00 0.00 H new ATOM 0 HD2 LYS A 90 2.236 1.069 -12.528 1.00 0.00 H new ATOM 0 HD3 LYS A 90 3.828 0.452 -12.136 1.00 0.00 H new ATOM 0 HE2 LYS A 90 3.854 1.750 -14.241 1.00 0.00 H new ATOM 0 HE3 LYS A 90 4.331 0.086 -14.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 2.722 1.043 -16.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 2.247 -0.427 -15.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 1.554 1.030 -14.903 1.00 0.00 H new ATOM 1348 N ALA A 91 0.954 -4.699 -13.218 1.00 0.00 N ATOM 1349 CA ALA A 91 -0.091 -5.198 -14.093 1.00 0.00 C ATOM 1350 C ALA A 91 -1.122 -4.112 -14.375 1.00 0.00 C ATOM 1351 O ALA A 91 -1.777 -4.135 -15.415 1.00 0.00 O ATOM 1352 CB ALA A 91 -0.759 -6.402 -13.433 1.00 0.00 C ATOM 0 H ALA A 91 0.843 -4.976 -12.243 1.00 0.00 H new ATOM 0 HA ALA A 91 0.350 -5.498 -15.044 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -1.546 -6.784 -14.084 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -0.017 -7.183 -13.264 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -1.192 -6.100 -12.479 1.00 0.00 H new ATOM 1358 N ASP A 92 -1.289 -3.179 -13.436 1.00 0.00 N ATOM 1359 CA ASP A 92 -2.243 -2.091 -13.536 1.00 0.00 C ATOM 1360 C ASP A 92 -1.811 -0.998 -12.562 1.00 0.00 C ATOM 1361 O ASP A 92 -0.944 -1.241 -11.718 1.00 0.00 O ATOM 1362 CB ASP A 92 -3.638 -2.648 -13.210 1.00 0.00 C ATOM 1363 CG ASP A 92 -4.807 -1.740 -13.566 1.00 0.00 C ATOM 1364 OD1 ASP A 92 -4.561 -0.627 -14.078 1.00 0.00 O ATOM 1365 OD2 ASP A 92 -5.944 -2.206 -13.329 1.00 0.00 O ATOM 0 H ASP A 92 -0.750 -3.165 -12.570 1.00 0.00 H new ATOM 0 HA ASP A 92 -2.279 -1.660 -14.536 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -3.763 -3.595 -13.735 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -3.682 -2.867 -12.143 1.00 0.00 H new ATOM 1370 N ASP A 93 -2.399 0.193 -12.677 1.00 0.00 N ATOM 1371 CA ASP A 93 -2.095 1.326 -11.823 1.00 0.00 C ATOM 1372 C ASP A 93 -3.231 2.342 -11.857 1.00 0.00 C ATOM 1373 O ASP A 93 -4.207 2.179 -12.586 1.00 0.00 O ATOM 1374 CB ASP A 93 -0.760 1.968 -12.217 1.00 0.00 C ATOM 1375 CG ASP A 93 -0.727 2.452 -13.662 1.00 0.00 C ATOM 1376 OD1 ASP A 93 -1.314 3.525 -13.914 1.00 0.00 O ATOM 1377 OD2 ASP A 93 -0.090 1.751 -14.479 1.00 0.00 O ATOM 0 H ASP A 93 -3.111 0.394 -13.380 1.00 0.00 H new ATOM 0 HA ASP A 93 -1.996 0.967 -10.799 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -0.560 2.810 -11.554 1.00 0.00 H new ATOM 0 HB3 ASP A 93 0.042 1.245 -12.065 1.00 0.00 H new ATOM 1382 N LEU A 94 -3.093 3.380 -11.032 1.00 0.00 N ATOM 1383 CA LEU A 94 -4.084 4.412 -10.790 1.00 0.00 C ATOM 1384 C LEU A 94 -3.392 5.588 -10.095 1.00 0.00 C ATOM 1385 O LEU A 94 -2.335 5.400 -9.495 1.00 0.00 O ATOM 1386 CB LEU A 94 -5.153 3.765 -9.902 1.00 0.00 C ATOM 1387 CG LEU A 94 -6.176 4.692 -9.245 1.00 0.00 C ATOM 1388 CD1 LEU A 94 -7.047 5.309 -10.340 1.00 0.00 C ATOM 1389 CD2 LEU A 94 -7.013 3.851 -8.274 1.00 0.00 C ATOM 0 H LEU A 94 -2.241 3.525 -10.490 1.00 0.00 H new ATOM 0 HA LEU A 94 -4.544 4.796 -11.701 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -5.696 3.037 -10.505 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -4.645 3.210 -9.113 1.00 0.00 H new ATOM 0 HG LEU A 94 -5.696 5.500 -8.694 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -7.783 5.974 -9.888 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -6.420 5.876 -11.028 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -7.560 4.517 -10.886 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -7.754 4.486 -7.788 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -7.519 3.057 -8.823 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -6.361 3.411 -7.519 1.00 0.00 H new ATOM 1401 N VAL A 95 -3.969 6.791 -10.158 1.00 0.00 N ATOM 1402 CA VAL A 95 -3.432 7.992 -9.540 1.00 0.00 C ATOM 1403 C VAL A 95 -4.548 8.782 -8.852 1.00 0.00 C ATOM 1404 O VAL A 95 -5.729 8.595 -9.158 1.00 0.00 O ATOM 1405 CB VAL A 95 -2.712 8.853 -10.595 1.00 0.00 C ATOM 1406 CG1 VAL A 95 -1.483 8.132 -11.163 1.00 0.00 C ATOM 1407 CG2 VAL A 95 -3.633 9.270 -11.750 1.00 0.00 C ATOM 0 H VAL A 95 -4.845 6.954 -10.655 1.00 0.00 H new ATOM 0 HA VAL A 95 -2.705 7.706 -8.780 1.00 0.00 H new ATOM 0 HB VAL A 95 -2.395 9.756 -10.073 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -0.999 8.768 -11.904 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -0.782 7.917 -10.356 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -1.793 7.199 -11.633 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -3.072 9.875 -12.463 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -4.015 8.380 -12.250 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -4.467 9.852 -11.358 1.00 0.00 H new ATOM 1417 N GLY A 96 -4.157 9.667 -7.931 1.00 0.00 N ATOM 1418 CA GLY A 96 -5.056 10.537 -7.193 1.00 0.00 C ATOM 1419 C GLY A 96 -5.793 9.778 -6.092 1.00 0.00 C ATOM 1420 O GLY A 96 -5.680 8.558 -5.966 1.00 0.00 O ATOM 0 H GLY A 96 -3.178 9.796 -7.676 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -4.490 11.358 -6.754 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -5.779 10.979 -7.878 1.00 0.00 H new ATOM 1424 N ALA A 97 -6.594 10.496 -5.299 1.00 0.00 N ATOM 1425 CA ALA A 97 -7.382 9.934 -4.203 1.00 0.00 C ATOM 1426 C ALA A 97 -8.624 9.195 -4.728 1.00 0.00 C ATOM 1427 O ALA A 97 -9.709 9.284 -4.153 1.00 0.00 O ATOM 1428 CB ALA A 97 -7.785 11.078 -3.267 1.00 0.00 C ATOM 0 H ALA A 97 -6.714 11.503 -5.405 1.00 0.00 H new ATOM 0 HA ALA A 97 -6.783 9.201 -3.662 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -8.375 10.681 -2.441 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -6.889 11.560 -2.875 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -8.378 11.808 -3.818 1.00 0.00 H new ATOM 1434 N SER A 98 -8.465 8.433 -5.808 1.00 0.00 N ATOM 1435 CA SER A 98 -9.511 7.708 -6.505 1.00 0.00 C ATOM 1436 C SER A 98 -9.859 6.428 -5.743 1.00 0.00 C ATOM 1437 O SER A 98 -9.745 5.327 -6.280 1.00 0.00 O ATOM 1438 CB SER A 98 -8.975 7.420 -7.910 1.00 0.00 C ATOM 1439 OG SER A 98 -8.445 8.610 -8.476 1.00 0.00 O ATOM 0 H SER A 98 -7.550 8.301 -6.240 1.00 0.00 H new ATOM 0 HA SER A 98 -10.435 8.283 -6.572 1.00 0.00 H new ATOM 0 HB2 SER A 98 -8.202 6.653 -7.864 1.00 0.00 H new ATOM 0 HB3 SER A 98 -9.774 7.031 -8.541 1.00 0.00 H new ATOM 0 HG SER A 98 -7.493 8.484 -8.670 1.00 0.00 H new ATOM 1445 N GLN A 99 -10.281 6.569 -4.483 1.00 0.00 N ATOM 1446 CA GLN A 99 -10.551 5.441 -3.599 1.00 0.00 C ATOM 1447 C GLN A 99 -11.568 4.461 -4.203 1.00 0.00 C ATOM 1448 O GLN A 99 -11.449 3.254 -4.017 1.00 0.00 O ATOM 1449 CB GLN A 99 -10.974 5.947 -2.214 1.00 0.00 C ATOM 1450 CG GLN A 99 -12.307 6.704 -2.176 1.00 0.00 C ATOM 1451 CD GLN A 99 -12.639 7.094 -0.741 1.00 0.00 C ATOM 1452 OE1 GLN A 99 -13.428 6.426 -0.079 1.00 0.00 O ATOM 1453 NE2 GLN A 99 -12.021 8.159 -0.239 1.00 0.00 N ATOM 0 H GLN A 99 -10.445 7.477 -4.049 1.00 0.00 H new ATOM 0 HA GLN A 99 -9.629 4.871 -3.481 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -11.039 5.095 -1.537 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -10.192 6.601 -1.829 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -12.247 7.596 -2.800 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -13.101 6.081 -2.586 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -11.371 8.691 -0.818 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -12.197 8.444 0.725 1.00 0.00 H new ATOM 1462 N ASP A 100 -12.559 4.967 -4.937 1.00 0.00 N ATOM 1463 CA ASP A 100 -13.552 4.144 -5.615 1.00 0.00 C ATOM 1464 C ASP A 100 -12.850 3.188 -6.587 1.00 0.00 C ATOM 1465 O ASP A 100 -13.030 1.970 -6.531 1.00 0.00 O ATOM 1466 CB ASP A 100 -14.571 5.046 -6.335 1.00 0.00 C ATOM 1467 CG ASP A 100 -13.973 5.931 -7.432 1.00 0.00 C ATOM 1468 OD1 ASP A 100 -12.837 6.419 -7.224 1.00 0.00 O ATOM 1469 OD2 ASP A 100 -14.655 6.091 -8.464 1.00 0.00 O ATOM 0 H ASP A 100 -12.693 5.968 -5.077 1.00 0.00 H new ATOM 0 HA ASP A 100 -14.097 3.542 -4.888 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -15.346 4.418 -6.775 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -15.058 5.683 -5.597 1.00 0.00 H new ATOM 1474 N LYS A 101 -12.014 3.745 -7.462 1.00 0.00 N ATOM 1475 CA LYS A 101 -11.285 2.971 -8.445 1.00 0.00 C ATOM 1476 C LYS A 101 -10.273 2.069 -7.731 1.00 0.00 C ATOM 1477 O LYS A 101 -10.037 0.949 -8.167 1.00 0.00 O ATOM 1478 CB LYS A 101 -10.635 3.927 -9.453 1.00 0.00 C ATOM 1479 CG LYS A 101 -9.987 3.223 -10.656 1.00 0.00 C ATOM 1480 CD LYS A 101 -10.958 2.337 -11.447 1.00 0.00 C ATOM 1481 CE LYS A 101 -10.332 1.864 -12.765 1.00 0.00 C ATOM 1482 NZ LYS A 101 -9.117 1.059 -12.541 1.00 0.00 N ATOM 0 H LYS A 101 -11.828 4.747 -7.503 1.00 0.00 H new ATOM 0 HA LYS A 101 -11.953 2.317 -9.006 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -11.391 4.623 -9.817 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -9.877 4.519 -8.940 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -9.569 3.976 -11.324 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -9.156 2.612 -10.304 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -11.239 1.473 -10.844 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -11.873 2.892 -11.655 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -11.060 1.274 -13.321 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -10.086 2.729 -13.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -8.773 0.689 -13.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -8.381 1.654 -12.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -9.338 0.266 -11.906 1.00 0.00 H new ATOM 1496 N LEU A 102 -9.686 2.534 -6.626 1.00 0.00 N ATOM 1497 CA LEU A 102 -8.739 1.755 -5.838 1.00 0.00 C ATOM 1498 C LEU A 102 -9.406 0.475 -5.330 1.00 0.00 C ATOM 1499 O LEU A 102 -8.875 -0.620 -5.506 1.00 0.00 O ATOM 1500 CB LEU A 102 -8.228 2.627 -4.687 1.00 0.00 C ATOM 1501 CG LEU A 102 -7.116 2.017 -3.830 1.00 0.00 C ATOM 1502 CD1 LEU A 102 -5.951 1.510 -4.681 1.00 0.00 C ATOM 1503 CD2 LEU A 102 -6.652 3.123 -2.876 1.00 0.00 C ATOM 0 H LEU A 102 -9.858 3.468 -6.254 1.00 0.00 H new ATOM 0 HA LEU A 102 -7.890 1.453 -6.451 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -7.866 3.568 -5.102 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -9.070 2.868 -4.038 1.00 0.00 H new ATOM 0 HG LEU A 102 -7.488 1.149 -3.286 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -5.185 1.085 -4.033 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -6.309 0.744 -5.369 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -5.528 2.339 -5.249 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -5.855 2.742 -2.237 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -6.281 3.970 -3.454 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -7.490 3.445 -2.258 1.00 0.00 H new ATOM 1515 N LYS A 103 -10.584 0.604 -4.713 1.00 0.00 N ATOM 1516 CA LYS A 103 -11.352 -0.538 -4.242 1.00 0.00 C ATOM 1517 C LYS A 103 -11.593 -1.498 -5.411 1.00 0.00 C ATOM 1518 O LYS A 103 -11.420 -2.712 -5.266 1.00 0.00 O ATOM 1519 CB LYS A 103 -12.672 -0.036 -3.647 1.00 0.00 C ATOM 1520 CG LYS A 103 -12.439 0.759 -2.354 1.00 0.00 C ATOM 1521 CD LYS A 103 -13.637 1.671 -2.055 1.00 0.00 C ATOM 1522 CE LYS A 103 -13.309 2.645 -0.918 1.00 0.00 C ATOM 1523 NZ LYS A 103 -14.361 3.665 -0.756 1.00 0.00 N ATOM 0 H LYS A 103 -11.026 1.504 -4.529 1.00 0.00 H new ATOM 0 HA LYS A 103 -10.808 -1.077 -3.467 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -13.185 0.593 -4.375 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -13.326 -0.884 -3.442 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -12.282 0.072 -1.522 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -11.534 1.359 -2.448 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -13.908 2.229 -2.951 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -14.502 1.066 -1.783 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -13.192 2.091 0.014 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -12.356 3.134 -1.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -13.926 4.577 -0.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -14.889 3.763 -1.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -15.012 3.375 0.002 1.00 0.00 H new ATOM 1537 N ALA A 104 -11.975 -0.937 -6.567 1.00 0.00 N ATOM 1538 CA ALA A 104 -12.219 -1.700 -7.782 1.00 0.00 C ATOM 1539 C ALA A 104 -10.948 -2.414 -8.263 1.00 0.00 C ATOM 1540 O ALA A 104 -11.048 -3.555 -8.706 1.00 0.00 O ATOM 1541 CB ALA A 104 -12.788 -0.790 -8.873 1.00 0.00 C ATOM 0 H ALA A 104 -12.122 0.066 -6.678 1.00 0.00 H new ATOM 0 HA ALA A 104 -12.955 -2.472 -7.556 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -12.966 -1.373 -9.777 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -13.727 -0.355 -8.531 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -12.077 0.007 -9.090 1.00 0.00 H new ATOM 1547 N LEU A 105 -9.766 -1.781 -8.194 1.00 0.00 N ATOM 1548 CA LEU A 105 -8.512 -2.433 -8.578 1.00 0.00 C ATOM 1549 C LEU A 105 -8.392 -3.730 -7.786 1.00 0.00 C ATOM 1550 O LEU A 105 -8.240 -4.806 -8.361 1.00 0.00 O ATOM 1551 CB LEU A 105 -7.260 -1.591 -8.257 1.00 0.00 C ATOM 1552 CG LEU A 105 -6.963 -0.353 -9.114 1.00 0.00 C ATOM 1553 CD1 LEU A 105 -5.746 0.350 -8.503 1.00 0.00 C ATOM 1554 CD2 LEU A 105 -6.599 -0.704 -10.557 1.00 0.00 C ATOM 0 H LEU A 105 -9.657 -0.818 -7.875 1.00 0.00 H new ATOM 0 HA LEU A 105 -8.549 -2.586 -9.657 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -7.339 -1.264 -7.220 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -6.394 -2.250 -8.318 1.00 0.00 H new ATOM 0 HG LEU A 105 -7.861 0.265 -9.128 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -5.506 1.237 -9.089 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -5.972 0.642 -7.477 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -4.893 -0.329 -8.507 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -6.400 0.211 -11.115 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -5.710 -1.335 -10.565 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -7.427 -1.239 -11.021 1.00 0.00 H new ATOM 1566 N VAL A 106 -8.459 -3.622 -6.457 1.00 0.00 N ATOM 1567 CA VAL A 106 -8.312 -4.788 -5.604 1.00 0.00 C ATOM 1568 C VAL A 106 -9.355 -5.835 -5.988 1.00 0.00 C ATOM 1569 O VAL A 106 -9.009 -6.993 -6.210 1.00 0.00 O ATOM 1570 CB VAL A 106 -8.402 -4.395 -4.121 1.00 0.00 C ATOM 1571 CG1 VAL A 106 -8.168 -5.641 -3.259 1.00 0.00 C ATOM 1572 CG2 VAL A 106 -7.333 -3.356 -3.761 1.00 0.00 C ATOM 0 H VAL A 106 -8.613 -2.745 -5.959 1.00 0.00 H new ATOM 0 HA VAL A 106 -7.324 -5.225 -5.752 1.00 0.00 H new ATOM 0 HB VAL A 106 -9.389 -3.970 -3.938 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -8.230 -5.371 -2.205 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -8.927 -6.389 -3.487 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -7.180 -6.050 -3.471 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -7.419 -3.096 -2.706 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -6.343 -3.771 -3.953 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -7.475 -2.462 -4.368 1.00 0.00 H new ATOM 1582 N ALA A 107 -10.618 -5.420 -6.097 1.00 0.00 N ATOM 1583 CA ALA A 107 -11.708 -6.321 -6.459 1.00 0.00 C ATOM 1584 C ALA A 107 -11.382 -7.095 -7.739 1.00 0.00 C ATOM 1585 O ALA A 107 -11.461 -8.322 -7.758 1.00 0.00 O ATOM 1586 CB ALA A 107 -13.016 -5.540 -6.624 1.00 0.00 C ATOM 0 H ALA A 107 -10.911 -4.456 -5.938 1.00 0.00 H new ATOM 0 HA ALA A 107 -11.831 -7.042 -5.651 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -13.818 -6.227 -6.894 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -13.264 -5.043 -5.686 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -12.898 -4.794 -7.410 1.00 0.00 H new ATOM 1592 N LYS A 108 -11.013 -6.376 -8.803 1.00 0.00 N ATOM 1593 CA LYS A 108 -10.639 -6.972 -10.074 1.00 0.00 C ATOM 1594 C LYS A 108 -9.491 -7.956 -9.865 1.00 0.00 C ATOM 1595 O LYS A 108 -9.658 -9.165 -10.000 1.00 0.00 O ATOM 1596 CB LYS A 108 -10.221 -5.867 -11.061 1.00 0.00 C ATOM 1597 CG LYS A 108 -9.834 -6.485 -12.413 1.00 0.00 C ATOM 1598 CD LYS A 108 -9.008 -5.551 -13.298 1.00 0.00 C ATOM 1599 CE LYS A 108 -8.335 -6.416 -14.367 1.00 0.00 C ATOM 1600 NZ LYS A 108 -7.505 -5.609 -15.278 1.00 0.00 N ATOM 0 H LYS A 108 -10.967 -5.357 -8.799 1.00 0.00 H new ATOM 0 HA LYS A 108 -11.492 -7.510 -10.487 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -11.040 -5.161 -11.196 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -9.380 -5.305 -10.655 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -9.268 -7.400 -12.236 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -10.741 -6.769 -12.946 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -9.644 -4.796 -13.759 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -8.262 -5.021 -12.706 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -7.716 -7.173 -13.886 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -9.097 -6.944 -14.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -7.066 -6.229 -15.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -8.100 -4.903 -15.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -6.762 -5.125 -14.734 1.00 0.00 H new ATOM 1614 N HIS A 109 -8.329 -7.405 -9.528 1.00 0.00 N ATOM 1615 CA HIS A 109 -7.069 -8.124 -9.503 1.00 0.00 C ATOM 1616 C HIS A 109 -7.058 -9.269 -8.486 1.00 0.00 C ATOM 1617 O HIS A 109 -6.274 -10.205 -8.623 1.00 0.00 O ATOM 1618 CB HIS A 109 -5.946 -7.103 -9.313 1.00 0.00 C ATOM 1619 CG HIS A 109 -5.731 -6.245 -10.539 1.00 0.00 C ATOM 1620 ND1 HIS A 109 -4.936 -6.680 -11.600 1.00 0.00 N ATOM 1621 CD2 HIS A 109 -6.286 -5.041 -10.886 1.00 0.00 C ATOM 1622 CE1 HIS A 109 -5.071 -5.743 -12.541 1.00 0.00 C ATOM 1623 NE2 HIS A 109 -5.819 -4.709 -12.136 1.00 0.00 N ATOM 0 H HIS A 109 -8.240 -6.425 -9.260 1.00 0.00 H new ATOM 0 HA HIS A 109 -6.913 -8.636 -10.453 1.00 0.00 H new ATOM 0 HB2 HIS A 109 -6.181 -6.463 -8.462 1.00 0.00 H new ATOM 0 HB3 HIS A 109 -5.020 -7.626 -9.073 1.00 0.00 H new ATOM 0 HD2 HIS A 109 -6.968 -4.457 -10.285 1.00 0.00 H new ATOM 0 HE1 HIS A 109 -4.625 -5.811 -13.522 1.00 0.00 H new ATOM 0 HE2 HIS A 109 -6.005 -3.848 -12.651 1.00 0.00 H new ATOM 1631 N ALA A 110 -7.914 -9.226 -7.460 1.00 0.00 N ATOM 1632 CA ALA A 110 -8.053 -10.342 -6.534 1.00 0.00 C ATOM 1633 C ALA A 110 -8.660 -11.548 -7.258 1.00 0.00 C ATOM 1634 O ALA A 110 -8.309 -12.686 -6.952 1.00 0.00 O ATOM 1635 CB ALA A 110 -8.934 -9.934 -5.349 1.00 0.00 C ATOM 0 H ALA A 110 -8.518 -8.430 -7.254 1.00 0.00 H new ATOM 0 HA ALA A 110 -7.068 -10.618 -6.158 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -9.032 -10.775 -4.662 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -8.477 -9.092 -4.829 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -9.920 -9.645 -5.712 1.00 0.00 H new ATOM 1641 N ALA A 111 -9.582 -11.306 -8.198 1.00 0.00 N ATOM 1642 CA ALA A 111 -10.254 -12.353 -8.955 1.00 0.00 C ATOM 1643 C ALA A 111 -9.443 -12.737 -10.191 1.00 0.00 C ATOM 1644 O ALA A 111 -9.201 -13.918 -10.433 1.00 0.00 O ATOM 1645 CB ALA A 111 -11.655 -11.872 -9.345 1.00 0.00 C ATOM 0 H ALA A 111 -9.881 -10.365 -8.452 1.00 0.00 H new ATOM 0 HA ALA A 111 -10.343 -13.245 -8.334 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -12.163 -12.652 -9.912 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -12.227 -11.648 -8.444 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -11.574 -10.973 -9.956 1.00 0.00 H new