USER MOD reduce.3.24.130724 H: found=0, std=0, add=552, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 553 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 17 ASN : amide:sc= -0.268 X(o=-0.27,f=-0.1) USER MOD Single : A 19 ASN : amide:sc= -0.119 X(o=-0.12,f=-0.0056) USER MOD Single : A 20 LYS NZ :NH3+ 163:sc= -0.0126 (180deg=-0.136) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 THR OG1 : rot 158:sc= 2.13 USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 GLN : amide:sc= -1.17 K(o=-1.2,f=-2.3!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 ASN : amide:sc= -3.24! C(o=-3.2!,f=-3.5!) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 72:sc= -0.409! USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 CYS SG : rot -132:sc= -2.11 USER MOD Single : A 65 LYS NZ :NH3+ -179:sc= 0.501 (180deg=0.472) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.505 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 68 N PHE A 8 8.497 -3.064 1.334 1.00 0.00 N ATOM 69 CA PHE A 8 7.647 -2.125 2.058 1.00 0.00 C ATOM 70 C PHE A 8 6.876 -2.833 3.166 1.00 0.00 C ATOM 71 O PHE A 8 6.901 -4.060 3.268 1.00 0.00 O ATOM 72 CB PHE A 8 6.671 -1.443 1.098 1.00 0.00 C ATOM 73 CG PHE A 8 7.326 -0.906 -0.144 1.00 0.00 C ATOM 74 CD1 PHE A 8 7.514 -1.718 -1.250 1.00 0.00 C ATOM 75 CD2 PHE A 8 7.753 0.411 -0.203 1.00 0.00 C ATOM 76 CE1 PHE A 8 8.115 -1.228 -2.393 1.00 0.00 C ATOM 77 CE2 PHE A 8 8.355 0.907 -1.343 1.00 0.00 C ATOM 78 CZ PHE A 8 8.536 0.087 -2.440 1.00 0.00 C ATOM 0 HA PHE A 8 8.288 -1.369 2.511 1.00 0.00 H new ATOM 0 HB2 PHE A 8 5.898 -2.156 0.812 1.00 0.00 H new ATOM 0 HB3 PHE A 8 6.173 -0.625 1.619 1.00 0.00 H new ATOM 0 HD1 PHE A 8 7.187 -2.747 -1.218 1.00 0.00 H new ATOM 0 HD2 PHE A 8 7.614 1.057 0.652 1.00 0.00 H new ATOM 0 HE1 PHE A 8 8.256 -1.872 -3.249 1.00 0.00 H new ATOM 0 HE2 PHE A 8 8.684 1.935 -1.377 1.00 0.00 H new ATOM 0 HZ PHE A 8 9.006 0.473 -3.333 1.00 0.00 H new ATOM 88 N ARG A 9 6.190 -2.053 3.995 1.00 0.00 N ATOM 89 CA ARG A 9 5.411 -2.606 5.097 1.00 0.00 C ATOM 90 C ARG A 9 4.099 -1.848 5.270 1.00 0.00 C ATOM 91 O ARG A 9 3.823 -0.892 4.546 1.00 0.00 O ATOM 92 CB ARG A 9 6.219 -2.555 6.395 1.00 0.00 C ATOM 93 CG ARG A 9 7.418 -3.492 6.402 1.00 0.00 C ATOM 94 CD ARG A 9 8.696 -2.763 6.785 1.00 0.00 C ATOM 95 NE ARG A 9 9.572 -3.590 7.612 1.00 0.00 N ATOM 96 CZ ARG A 9 9.282 -3.962 8.856 1.00 0.00 C ATOM 97 NH1 ARG A 9 8.142 -3.584 9.420 1.00 0.00 N ATOM 98 NH2 ARG A 9 10.135 -4.715 9.538 1.00 0.00 N ATOM 0 H ARG A 9 6.158 -1.036 3.925 1.00 0.00 H new ATOM 0 HA ARG A 9 5.180 -3.645 4.861 1.00 0.00 H new ATOM 0 HB2 ARG A 9 6.565 -1.534 6.558 1.00 0.00 H new ATOM 0 HB3 ARG A 9 5.566 -2.808 7.230 1.00 0.00 H new ATOM 0 HG2 ARG A 9 7.239 -4.307 7.103 1.00 0.00 H new ATOM 0 HG3 ARG A 9 7.536 -3.940 5.415 1.00 0.00 H new ATOM 0 HD2 ARG A 9 9.227 -2.464 5.881 1.00 0.00 H new ATOM 0 HD3 ARG A 9 8.445 -1.850 7.324 1.00 0.00 H new ATOM 0 HE ARG A 9 10.458 -3.900 7.212 1.00 0.00 H new ATOM 0 HH11 ARG A 9 7.483 -3.005 8.899 1.00 0.00 H new ATOM 0 HH12 ARG A 9 7.925 -3.872 10.374 1.00 0.00 H new ATOM 0 HH21 ARG A 9 11.012 -5.008 9.109 1.00 0.00 H new ATOM 0 HH22 ARG A 9 9.913 -5.001 10.492 1.00 0.00 H new ATOM 112 N VAL A 10 3.294 -2.284 6.234 1.00 0.00 N ATOM 113 CA VAL A 10 2.011 -1.647 6.502 1.00 0.00 C ATOM 114 C VAL A 10 2.199 -0.309 7.210 1.00 0.00 C ATOM 115 O VAL A 10 2.955 -0.208 8.176 1.00 0.00 O ATOM 116 CB VAL A 10 1.106 -2.547 7.364 1.00 0.00 C ATOM 117 CG1 VAL A 10 -0.293 -1.960 7.465 1.00 0.00 C ATOM 118 CG2 VAL A 10 1.060 -3.958 6.796 1.00 0.00 C ATOM 0 H VAL A 10 3.508 -3.075 6.841 1.00 0.00 H new ATOM 0 HA VAL A 10 1.533 -1.481 5.537 1.00 0.00 H new ATOM 0 HB VAL A 10 1.526 -2.597 8.368 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -0.917 -2.610 8.078 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -0.241 -0.972 7.922 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -0.725 -1.877 6.468 1.00 0.00 H new ATOM 0 HG21 VAL A 10 0.416 -4.580 7.418 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.665 -3.929 5.780 1.00 0.00 H new ATOM 0 HG23 VAL A 10 2.066 -4.378 6.782 1.00 0.00 H new ATOM 128 N GLY A 11 1.506 0.715 6.723 1.00 0.00 N ATOM 129 CA GLY A 11 1.611 2.033 7.321 1.00 0.00 C ATOM 130 C GLY A 11 2.805 2.811 6.802 1.00 0.00 C ATOM 131 O GLY A 11 3.357 3.655 7.508 1.00 0.00 O ATOM 0 H GLY A 11 0.874 0.656 5.925 1.00 0.00 H new ATOM 0 HA2 GLY A 11 0.699 2.595 7.118 1.00 0.00 H new ATOM 0 HA3 GLY A 11 1.689 1.932 8.404 1.00 0.00 H new ATOM 135 N GLU A 12 3.203 2.526 5.567 1.00 0.00 N ATOM 136 CA GLU A 12 4.339 3.204 4.954 1.00 0.00 C ATOM 137 C GLU A 12 3.899 4.011 3.736 1.00 0.00 C ATOM 138 O GLU A 12 2.875 3.713 3.119 1.00 0.00 O ATOM 139 CB GLU A 12 5.408 2.188 4.547 1.00 0.00 C ATOM 140 CG GLU A 12 6.310 1.763 5.694 1.00 0.00 C ATOM 141 CD GLU A 12 7.782 1.944 5.377 1.00 0.00 C ATOM 142 OE1 GLU A 12 8.309 1.175 4.546 1.00 0.00 O ATOM 143 OE2 GLU A 12 8.407 2.853 5.960 1.00 0.00 O ATOM 0 H GLU A 12 2.756 1.830 4.971 1.00 0.00 H new ATOM 0 HA GLU A 12 4.760 3.890 5.689 1.00 0.00 H new ATOM 0 HB2 GLU A 12 4.920 1.306 4.133 1.00 0.00 H new ATOM 0 HB3 GLU A 12 6.020 2.615 3.753 1.00 0.00 H new ATOM 0 HG2 GLU A 12 6.060 2.343 6.582 1.00 0.00 H new ATOM 0 HG3 GLU A 12 6.120 0.717 5.932 1.00 0.00 H new ATOM 150 N ARG A 13 4.679 5.031 3.394 1.00 0.00 N ATOM 151 CA ARG A 13 4.369 5.878 2.249 1.00 0.00 C ATOM 152 C ARG A 13 4.949 5.291 0.966 1.00 0.00 C ATOM 153 O ARG A 13 6.137 4.975 0.897 1.00 0.00 O ATOM 154 CB ARG A 13 4.915 7.291 2.471 1.00 0.00 C ATOM 155 CG ARG A 13 4.373 8.313 1.485 1.00 0.00 C ATOM 156 CD ARG A 13 2.957 8.736 1.843 1.00 0.00 C ATOM 157 NE ARG A 13 2.739 10.164 1.617 1.00 0.00 N ATOM 158 CZ ARG A 13 1.536 10.730 1.567 1.00 0.00 C ATOM 159 NH1 ARG A 13 0.441 9.996 1.724 1.00 0.00 N ATOM 160 NH2 ARG A 13 1.426 12.036 1.358 1.00 0.00 N ATOM 0 H ARG A 13 5.530 5.291 3.893 1.00 0.00 H new ATOM 0 HA ARG A 13 3.285 5.927 2.147 1.00 0.00 H new ATOM 0 HB2 ARG A 13 4.671 7.611 3.484 1.00 0.00 H new ATOM 0 HB3 ARG A 13 6.002 7.268 2.397 1.00 0.00 H new ATOM 0 HG2 ARG A 13 5.023 9.188 1.472 1.00 0.00 H new ATOM 0 HG3 ARG A 13 4.385 7.892 0.480 1.00 0.00 H new ATOM 0 HD2 ARG A 13 2.246 8.162 1.249 1.00 0.00 H new ATOM 0 HD3 ARG A 13 2.762 8.500 2.889 1.00 0.00 H new ATOM 0 HE ARG A 13 3.556 10.761 1.490 1.00 0.00 H new ATOM 0 HH11 ARG A 13 0.519 8.992 1.884 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -0.478 10.436 1.685 1.00 0.00 H new ATOM 0 HH21 ARG A 13 2.264 12.605 1.236 1.00 0.00 H new ATOM 0 HH22 ARG A 13 0.504 12.470 1.320 1.00 0.00 H new ATOM 174 N VAL A 14 4.104 5.149 -0.048 1.00 0.00 N ATOM 175 CA VAL A 14 4.532 4.600 -1.329 1.00 0.00 C ATOM 176 C VAL A 14 4.059 5.473 -2.486 1.00 0.00 C ATOM 177 O VAL A 14 3.394 6.488 -2.279 1.00 0.00 O ATOM 178 CB VAL A 14 4.001 3.168 -1.532 1.00 0.00 C ATOM 179 CG1 VAL A 14 4.778 2.184 -0.672 1.00 0.00 C ATOM 180 CG2 VAL A 14 2.514 3.102 -1.223 1.00 0.00 C ATOM 0 H VAL A 14 3.118 5.407 -0.008 1.00 0.00 H new ATOM 0 HA VAL A 14 5.622 4.577 -1.315 1.00 0.00 H new ATOM 0 HB VAL A 14 4.143 2.891 -2.577 1.00 0.00 H new ATOM 0 HG11 VAL A 14 4.389 1.178 -0.829 1.00 0.00 H new ATOM 0 HG12 VAL A 14 5.832 2.213 -0.948 1.00 0.00 H new ATOM 0 HG13 VAL A 14 4.671 2.455 0.378 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.156 2.083 -1.372 1.00 0.00 H new ATOM 0 HG22 VAL A 14 2.344 3.399 -0.188 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.974 3.777 -1.887 1.00 0.00 H new ATOM 190 N TRP A 15 4.407 5.072 -3.704 1.00 0.00 N ATOM 191 CA TRP A 15 4.017 5.820 -4.895 1.00 0.00 C ATOM 192 C TRP A 15 3.656 4.875 -6.036 1.00 0.00 C ATOM 193 O TRP A 15 4.533 4.342 -6.715 1.00 0.00 O ATOM 194 CB TRP A 15 5.147 6.758 -5.326 1.00 0.00 C ATOM 195 CG TRP A 15 4.835 8.205 -5.098 1.00 0.00 C ATOM 196 CD1 TRP A 15 4.413 9.109 -6.029 1.00 0.00 C ATOM 197 CD2 TRP A 15 4.920 8.917 -3.857 1.00 0.00 C ATOM 198 NE1 TRP A 15 4.230 10.340 -5.445 1.00 0.00 N ATOM 199 CE2 TRP A 15 4.535 10.246 -4.112 1.00 0.00 C ATOM 200 CE3 TRP A 15 5.284 8.558 -2.557 1.00 0.00 C ATOM 201 CZ2 TRP A 15 4.503 11.217 -3.114 1.00 0.00 C ATOM 202 CZ3 TRP A 15 5.252 9.522 -1.567 1.00 0.00 C ATOM 203 CH2 TRP A 15 4.864 10.838 -1.850 1.00 0.00 C ATOM 0 H TRP A 15 4.958 4.234 -3.893 1.00 0.00 H new ATOM 0 HA TRP A 15 3.137 6.415 -4.650 1.00 0.00 H new ATOM 0 HB2 TRP A 15 6.054 6.498 -4.779 1.00 0.00 H new ATOM 0 HB3 TRP A 15 5.357 6.601 -6.384 1.00 0.00 H new ATOM 0 HD1 TRP A 15 4.247 8.889 -7.073 1.00 0.00 H new ATOM 0 HE1 TRP A 15 3.918 11.184 -5.925 1.00 0.00 H new ATOM 0 HE3 TRP A 15 5.585 7.546 -2.330 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 4.204 12.232 -3.330 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 5.531 9.256 -0.558 1.00 0.00 H new ATOM 0 HH2 TRP A 15 4.850 11.568 -1.054 1.00 0.00 H new ATOM 214 N VAL A 16 2.359 4.675 -6.242 1.00 0.00 N ATOM 215 CA VAL A 16 1.880 3.796 -7.302 1.00 0.00 C ATOM 216 C VAL A 16 2.236 4.352 -8.677 1.00 0.00 C ATOM 217 O VAL A 16 1.879 5.480 -9.012 1.00 0.00 O ATOM 218 CB VAL A 16 0.355 3.596 -7.220 1.00 0.00 C ATOM 219 CG1 VAL A 16 -0.098 2.524 -8.199 1.00 0.00 C ATOM 220 CG2 VAL A 16 -0.061 3.241 -5.801 1.00 0.00 C ATOM 0 H VAL A 16 1.621 5.110 -5.689 1.00 0.00 H new ATOM 0 HA VAL A 16 2.372 2.833 -7.163 1.00 0.00 H new ATOM 0 HB VAL A 16 -0.130 4.533 -7.494 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -1.178 2.397 -8.126 1.00 0.00 H new ATOM 0 HG12 VAL A 16 0.164 2.824 -9.214 1.00 0.00 H new ATOM 0 HG13 VAL A 16 0.395 1.581 -7.960 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -1.142 3.103 -5.762 1.00 0.00 H new ATOM 0 HG22 VAL A 16 0.433 2.318 -5.497 1.00 0.00 H new ATOM 0 HG23 VAL A 16 0.227 4.046 -5.125 1.00 0.00 H new ATOM 230 N ASN A 17 2.943 3.551 -9.468 1.00 0.00 N ATOM 231 CA ASN A 17 3.348 3.965 -10.807 1.00 0.00 C ATOM 232 C ASN A 17 4.222 5.216 -10.751 1.00 0.00 C ATOM 233 O ASN A 17 4.310 5.966 -11.722 1.00 0.00 O ATOM 234 CB ASN A 17 2.115 4.226 -11.677 1.00 0.00 C ATOM 235 CG ASN A 17 1.910 3.150 -12.725 1.00 0.00 C ATOM 236 OD1 ASN A 17 0.807 2.628 -12.887 1.00 0.00 O ATOM 237 ND2 ASN A 17 2.975 2.811 -13.442 1.00 0.00 N ATOM 0 H ASN A 17 3.247 2.613 -9.206 1.00 0.00 H new ATOM 0 HA ASN A 17 3.932 3.158 -11.249 1.00 0.00 H new ATOM 0 HB2 ASN A 17 1.231 4.284 -11.042 1.00 0.00 H new ATOM 0 HB3 ASN A 17 2.218 5.193 -12.169 1.00 0.00 H new ATOM 0 HD21 ASN A 17 2.898 2.092 -14.161 1.00 0.00 H new ATOM 0 HD22 ASN A 17 3.870 3.270 -13.274 1.00 0.00 H new ATOM 244 N GLY A 18 4.869 5.433 -9.609 1.00 0.00 N ATOM 245 CA GLY A 18 5.727 6.593 -9.450 1.00 0.00 C ATOM 246 C GLY A 18 5.004 7.898 -9.724 1.00 0.00 C ATOM 247 O GLY A 18 5.565 8.810 -10.333 1.00 0.00 O ATOM 0 H GLY A 18 4.814 4.826 -8.791 1.00 0.00 H new ATOM 0 HA2 GLY A 18 6.125 6.609 -8.435 1.00 0.00 H new ATOM 0 HA3 GLY A 18 6.578 6.505 -10.125 1.00 0.00 H new ATOM 251 N ASN A 19 3.757 7.988 -9.274 1.00 0.00 N ATOM 252 CA ASN A 19 2.959 9.193 -9.475 1.00 0.00 C ATOM 253 C ASN A 19 1.594 9.064 -8.804 1.00 0.00 C ATOM 254 O ASN A 19 0.586 9.531 -9.332 1.00 0.00 O ATOM 255 CB ASN A 19 2.784 9.469 -10.972 1.00 0.00 C ATOM 256 CG ASN A 19 3.170 10.886 -11.347 1.00 0.00 C ATOM 257 OD1 ASN A 19 3.886 11.109 -12.323 1.00 0.00 O ATOM 258 ND2 ASN A 19 2.697 11.854 -10.570 1.00 0.00 N ATOM 0 H ASN A 19 3.277 7.243 -8.769 1.00 0.00 H new ATOM 0 HA ASN A 19 3.488 10.029 -9.017 1.00 0.00 H new ATOM 0 HB2 ASN A 19 3.392 8.767 -11.542 1.00 0.00 H new ATOM 0 HB3 ASN A 19 1.746 9.292 -11.252 1.00 0.00 H new ATOM 0 HD21 ASN A 19 2.924 12.828 -10.773 1.00 0.00 H new ATOM 0 HD22 ASN A 19 2.107 11.624 -9.771 1.00 0.00 H new ATOM 265 N LYS A 20 1.570 8.427 -7.638 1.00 0.00 N ATOM 266 CA LYS A 20 0.329 8.237 -6.897 1.00 0.00 C ATOM 267 C LYS A 20 0.612 7.844 -5.448 1.00 0.00 C ATOM 268 O LYS A 20 0.731 6.660 -5.129 1.00 0.00 O ATOM 269 CB LYS A 20 -0.531 7.165 -7.567 1.00 0.00 C ATOM 270 CG LYS A 20 -1.444 7.709 -8.653 1.00 0.00 C ATOM 271 CD LYS A 20 -2.596 6.759 -8.940 1.00 0.00 C ATOM 272 CE LYS A 20 -2.968 6.764 -10.414 1.00 0.00 C ATOM 273 NZ LYS A 20 -1.933 6.094 -11.250 1.00 0.00 N ATOM 0 H LYS A 20 2.396 8.034 -7.186 1.00 0.00 H new ATOM 0 HA LYS A 20 -0.213 9.183 -6.899 1.00 0.00 H new ATOM 0 HB2 LYS A 20 0.121 6.405 -7.999 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -1.137 6.671 -6.808 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -1.838 8.678 -8.347 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -0.870 7.872 -9.565 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -2.320 5.749 -8.637 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -3.462 7.046 -8.344 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -3.925 6.260 -10.549 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -3.098 7.792 -10.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -2.336 5.860 -12.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -1.121 6.732 -11.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -1.618 5.221 -10.780 1.00 0.00 H new ATOM 287 N PRO A 21 0.725 8.836 -4.546 1.00 0.00 N ATOM 288 CA PRO A 21 0.995 8.585 -3.128 1.00 0.00 C ATOM 289 C PRO A 21 -0.183 7.922 -2.421 1.00 0.00 C ATOM 290 O PRO A 21 -1.324 8.018 -2.872 1.00 0.00 O ATOM 291 CB PRO A 21 1.242 9.984 -2.557 1.00 0.00 C ATOM 292 CG PRO A 21 0.513 10.902 -3.476 1.00 0.00 C ATOM 293 CD PRO A 21 0.597 10.276 -4.839 1.00 0.00 C ATOM 0 HA PRO A 21 1.832 7.900 -2.990 1.00 0.00 H new ATOM 0 HB2 PRO A 21 0.868 10.067 -1.536 1.00 0.00 H new ATOM 0 HB3 PRO A 21 2.306 10.217 -2.527 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -0.525 11.022 -3.165 1.00 0.00 H new ATOM 0 HG3 PRO A 21 0.963 11.895 -3.474 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -0.291 10.488 -5.434 1.00 0.00 H new ATOM 0 HD3 PRO A 21 1.453 10.650 -5.401 1.00 0.00 H new ATOM 301 N GLY A 22 0.102 7.250 -1.311 1.00 0.00 N ATOM 302 CA GLY A 22 -0.943 6.581 -0.558 1.00 0.00 C ATOM 303 C GLY A 22 -0.397 5.782 0.609 1.00 0.00 C ATOM 304 O GLY A 22 0.676 5.186 0.513 1.00 0.00 O ATOM 0 H GLY A 22 1.039 7.156 -0.919 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -1.651 7.323 -0.187 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -1.496 5.917 -1.222 1.00 0.00 H new ATOM 308 N PHE A 23 -1.136 5.771 1.713 1.00 0.00 N ATOM 309 CA PHE A 23 -0.718 5.040 2.904 1.00 0.00 C ATOM 310 C PHE A 23 -1.238 3.606 2.874 1.00 0.00 C ATOM 311 O PHE A 23 -2.417 3.367 2.612 1.00 0.00 O ATOM 312 CB PHE A 23 -1.218 5.748 4.164 1.00 0.00 C ATOM 313 CG PHE A 23 -0.615 7.109 4.366 1.00 0.00 C ATOM 314 CD1 PHE A 23 0.724 7.245 4.694 1.00 0.00 C ATOM 315 CD2 PHE A 23 -1.388 8.250 4.229 1.00 0.00 C ATOM 316 CE1 PHE A 23 1.282 8.496 4.880 1.00 0.00 C ATOM 317 CE2 PHE A 23 -0.836 9.503 4.413 1.00 0.00 C ATOM 318 CZ PHE A 23 0.501 9.627 4.739 1.00 0.00 C ATOM 0 H PHE A 23 -2.026 6.259 1.808 1.00 0.00 H new ATOM 0 HA PHE A 23 0.372 5.012 2.918 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -2.302 5.844 4.111 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -0.995 5.128 5.032 1.00 0.00 H new ATOM 0 HD1 PHE A 23 1.339 6.364 4.806 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -2.434 8.159 3.976 1.00 0.00 H new ATOM 0 HE1 PHE A 23 2.327 8.589 5.135 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -1.449 10.385 4.302 1.00 0.00 H new ATOM 0 HZ PHE A 23 0.934 10.606 4.883 1.00 0.00 H new ATOM 328 N ILE A 24 -0.349 2.654 3.142 1.00 0.00 N ATOM 329 CA ILE A 24 -0.717 1.244 3.145 1.00 0.00 C ATOM 330 C ILE A 24 -1.463 0.875 4.424 1.00 0.00 C ATOM 331 O ILE A 24 -1.058 1.258 5.521 1.00 0.00 O ATOM 332 CB ILE A 24 0.523 0.339 3.007 1.00 0.00 C ATOM 333 CG1 ILE A 24 1.386 0.790 1.826 1.00 0.00 C ATOM 334 CG2 ILE A 24 0.103 -1.114 2.837 1.00 0.00 C ATOM 335 CD1 ILE A 24 2.869 0.791 2.127 1.00 0.00 C ATOM 0 H ILE A 24 0.631 2.835 3.360 1.00 0.00 H new ATOM 0 HA ILE A 24 -1.370 1.085 2.287 1.00 0.00 H new ATOM 0 HB ILE A 24 1.116 0.423 3.918 1.00 0.00 H new ATOM 0 HG12 ILE A 24 1.196 0.134 0.976 1.00 0.00 H new ATOM 0 HG13 ILE A 24 1.083 1.794 1.528 1.00 0.00 H new ATOM 0 HG21 ILE A 24 0.990 -1.740 2.741 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -0.472 -1.431 3.707 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -0.510 -1.213 1.941 1.00 0.00 H new ATOM 0 HD11 ILE A 24 3.419 1.121 1.246 1.00 0.00 H new ATOM 0 HD12 ILE A 24 3.072 1.469 2.956 1.00 0.00 H new ATOM 0 HD13 ILE A 24 3.186 -0.216 2.396 1.00 0.00 H new ATOM 347 N GLN A 25 -2.552 0.128 4.274 1.00 0.00 N ATOM 348 CA GLN A 25 -3.354 -0.293 5.416 1.00 0.00 C ATOM 349 C GLN A 25 -3.336 -1.812 5.564 1.00 0.00 C ATOM 350 O GLN A 25 -3.111 -2.337 6.653 1.00 0.00 O ATOM 351 CB GLN A 25 -4.794 0.199 5.265 1.00 0.00 C ATOM 352 CG GLN A 25 -4.925 1.713 5.285 1.00 0.00 C ATOM 353 CD GLN A 25 -5.163 2.259 6.680 1.00 0.00 C ATOM 354 OE1 GLN A 25 -6.305 2.470 7.089 1.00 0.00 O ATOM 355 NE2 GLN A 25 -4.084 2.493 7.417 1.00 0.00 N ATOM 0 H GLN A 25 -2.899 -0.198 3.372 1.00 0.00 H new ATOM 0 HA GLN A 25 -2.920 0.147 6.314 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -5.202 -0.180 4.328 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -5.399 -0.220 6.069 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -4.019 2.158 4.874 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -5.749 2.011 4.636 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -3.156 2.303 7.038 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -4.183 2.862 8.363 1.00 0.00 H new ATOM 364 N PHE A 26 -3.578 -2.511 4.459 1.00 0.00 N ATOM 365 CA PHE A 26 -3.590 -3.970 4.465 1.00 0.00 C ATOM 366 C PHE A 26 -2.471 -4.527 3.593 1.00 0.00 C ATOM 367 O PHE A 26 -1.987 -3.856 2.681 1.00 0.00 O ATOM 368 CB PHE A 26 -4.943 -4.491 3.974 1.00 0.00 C ATOM 369 CG PHE A 26 -5.177 -5.942 4.289 1.00 0.00 C ATOM 370 CD1 PHE A 26 -5.555 -6.335 5.562 1.00 0.00 C ATOM 371 CD2 PHE A 26 -5.019 -6.910 3.311 1.00 0.00 C ATOM 372 CE1 PHE A 26 -5.771 -7.668 5.855 1.00 0.00 C ATOM 373 CE2 PHE A 26 -5.234 -8.244 3.597 1.00 0.00 C ATOM 374 CZ PHE A 26 -5.610 -8.624 4.871 1.00 0.00 C ATOM 0 H PHE A 26 -3.768 -2.091 3.549 1.00 0.00 H new ATOM 0 HA PHE A 26 -3.428 -4.306 5.489 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -5.738 -3.897 4.425 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -5.010 -4.346 2.896 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -5.682 -5.591 6.335 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -4.724 -6.618 2.314 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -6.065 -7.962 6.852 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -5.108 -8.989 2.826 1.00 0.00 H new ATOM 0 HZ PHE A 26 -5.778 -9.667 5.097 1.00 0.00 H new ATOM 384 N LEU A 27 -2.065 -5.760 3.878 1.00 0.00 N ATOM 385 CA LEU A 27 -1.002 -6.410 3.120 1.00 0.00 C ATOM 386 C LEU A 27 -1.203 -7.921 3.086 1.00 0.00 C ATOM 387 O LEU A 27 -1.021 -8.604 4.093 1.00 0.00 O ATOM 388 CB LEU A 27 0.363 -6.079 3.728 1.00 0.00 C ATOM 389 CG LEU A 27 1.031 -4.819 3.175 1.00 0.00 C ATOM 390 CD1 LEU A 27 2.403 -4.624 3.802 1.00 0.00 C ATOM 391 CD2 LEU A 27 1.142 -4.897 1.660 1.00 0.00 C ATOM 0 H LEU A 27 -2.456 -6.329 4.629 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.038 -6.034 2.098 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.246 -5.966 4.806 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.030 -6.926 3.567 1.00 0.00 H new ATOM 0 HG LEU A 27 0.411 -3.959 3.431 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.863 -3.723 3.397 1.00 0.00 H new ATOM 0 HD12 LEU A 27 2.298 -4.524 4.882 1.00 0.00 H new ATOM 0 HD13 LEU A 27 3.032 -5.485 3.577 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.620 -3.993 1.283 1.00 0.00 H new ATOM 0 HD22 LEU A 27 1.740 -5.765 1.383 1.00 0.00 H new ATOM 0 HD23 LEU A 27 0.146 -4.989 1.226 1.00 0.00 H new ATOM 403 N GLY A 28 -1.582 -8.437 1.920 1.00 0.00 N ATOM 404 CA GLY A 28 -1.802 -9.864 1.778 1.00 0.00 C ATOM 405 C GLY A 28 -2.780 -10.192 0.667 1.00 0.00 C ATOM 406 O GLY A 28 -3.249 -9.300 -0.039 1.00 0.00 O ATOM 0 H GLY A 28 -1.740 -7.892 1.072 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -0.851 -10.357 1.578 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -2.178 -10.266 2.719 1.00 0.00 H new ATOM 410 N GLU A 29 -3.089 -11.476 0.514 1.00 0.00 N ATOM 411 CA GLU A 29 -4.018 -11.920 -0.518 1.00 0.00 C ATOM 412 C GLU A 29 -5.427 -11.406 -0.239 1.00 0.00 C ATOM 413 O GLU A 29 -5.687 -10.814 0.808 1.00 0.00 O ATOM 414 CB GLU A 29 -4.028 -13.447 -0.604 1.00 0.00 C ATOM 415 CG GLU A 29 -4.305 -14.129 0.727 1.00 0.00 C ATOM 416 CD GLU A 29 -5.288 -15.277 0.601 1.00 0.00 C ATOM 417 OE1 GLU A 29 -6.158 -15.217 -0.293 1.00 0.00 O ATOM 418 OE2 GLU A 29 -5.188 -16.235 1.396 1.00 0.00 O ATOM 0 H GLU A 29 -2.710 -12.226 1.091 1.00 0.00 H new ATOM 0 HA GLU A 29 -3.683 -11.512 -1.472 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -4.783 -13.757 -1.326 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -3.065 -13.788 -0.984 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -3.368 -14.501 1.142 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -4.697 -13.396 1.432 1.00 0.00 H new ATOM 425 N THR A 30 -6.334 -11.637 -1.183 1.00 0.00 N ATOM 426 CA THR A 30 -7.717 -11.198 -1.039 1.00 0.00 C ATOM 427 C THR A 30 -8.685 -12.328 -1.370 1.00 0.00 C ATOM 428 O THR A 30 -8.270 -13.444 -1.680 1.00 0.00 O ATOM 429 CB THR A 30 -7.989 -9.996 -1.945 1.00 0.00 C ATOM 430 OG1 THR A 30 -8.029 -10.392 -3.304 1.00 0.00 O ATOM 431 CG2 THR A 30 -6.950 -8.902 -1.816 1.00 0.00 C ATOM 0 H THR A 30 -6.136 -12.126 -2.056 1.00 0.00 H new ATOM 0 HA THR A 30 -7.872 -10.905 -0.001 1.00 0.00 H new ATOM 0 HB THR A 30 -8.952 -9.601 -1.620 1.00 0.00 H new ATOM 0 HG1 THR A 30 -8.532 -9.730 -3.823 1.00 0.00 H new ATOM 0 HG21 THR A 30 -7.203 -8.080 -2.485 1.00 0.00 H new ATOM 0 HG22 THR A 30 -6.929 -8.540 -0.788 1.00 0.00 H new ATOM 0 HG23 THR A 30 -5.970 -9.298 -2.082 1.00 0.00 H new ATOM 439 N GLN A 31 -9.978 -12.031 -1.302 1.00 0.00 N ATOM 440 CA GLN A 31 -11.006 -13.023 -1.595 1.00 0.00 C ATOM 441 C GLN A 31 -11.310 -13.067 -3.089 1.00 0.00 C ATOM 442 O GLN A 31 -11.448 -14.142 -3.673 1.00 0.00 O ATOM 443 CB GLN A 31 -12.284 -12.710 -0.813 1.00 0.00 C ATOM 444 CG GLN A 31 -12.124 -12.846 0.693 1.00 0.00 C ATOM 445 CD GLN A 31 -12.638 -14.173 1.216 1.00 0.00 C ATOM 446 OE1 GLN A 31 -13.751 -14.259 1.735 1.00 0.00 O ATOM 447 NE2 GLN A 31 -11.828 -15.216 1.083 1.00 0.00 N ATOM 0 H GLN A 31 -10.339 -11.112 -1.047 1.00 0.00 H new ATOM 0 HA GLN A 31 -10.630 -14.000 -1.290 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -12.603 -11.694 -1.046 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -13.078 -13.378 -1.148 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -11.071 -12.740 0.954 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -12.658 -12.034 1.186 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -10.914 -15.099 0.646 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -12.120 -16.134 1.417 1.00 0.00 H new ATOM 456 N PHE A 32 -11.414 -11.893 -3.701 1.00 0.00 N ATOM 457 CA PHE A 32 -11.702 -11.798 -5.128 1.00 0.00 C ATOM 458 C PHE A 32 -10.559 -12.378 -5.954 1.00 0.00 C ATOM 459 O PHE A 32 -10.775 -12.920 -7.038 1.00 0.00 O ATOM 460 CB PHE A 32 -11.945 -10.340 -5.525 1.00 0.00 C ATOM 461 CG PHE A 32 -10.800 -9.428 -5.191 1.00 0.00 C ATOM 462 CD1 PHE A 32 -9.767 -9.233 -6.095 1.00 0.00 C ATOM 463 CD2 PHE A 32 -10.756 -8.764 -3.976 1.00 0.00 C ATOM 464 CE1 PHE A 32 -8.712 -8.394 -5.790 1.00 0.00 C ATOM 465 CE2 PHE A 32 -9.704 -7.924 -3.666 1.00 0.00 C ATOM 466 CZ PHE A 32 -8.681 -7.738 -4.575 1.00 0.00 C ATOM 0 H PHE A 32 -11.303 -10.994 -3.232 1.00 0.00 H new ATOM 0 HA PHE A 32 -12.603 -12.378 -5.330 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -12.137 -10.291 -6.597 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -12.843 -9.980 -5.023 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -9.787 -9.742 -7.047 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -11.554 -8.905 -3.262 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -7.912 -8.251 -6.501 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -9.682 -7.414 -2.714 1.00 0.00 H new ATOM 0 HZ PHE A 32 -7.858 -7.081 -4.336 1.00 0.00 H new ATOM 476 N ALA A 33 -9.340 -12.262 -5.434 1.00 0.00 N ATOM 477 CA ALA A 33 -8.164 -12.777 -6.125 1.00 0.00 C ATOM 478 C ALA A 33 -7.083 -13.196 -5.129 1.00 0.00 C ATOM 479 O ALA A 33 -6.704 -12.419 -4.253 1.00 0.00 O ATOM 480 CB ALA A 33 -7.620 -11.732 -7.087 1.00 0.00 C ATOM 0 H ALA A 33 -9.142 -11.817 -4.538 1.00 0.00 H new ATOM 0 HA ALA A 33 -8.461 -13.659 -6.693 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -6.742 -12.129 -7.597 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -8.384 -11.482 -7.823 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -7.343 -10.836 -6.532 1.00 0.00 H new ATOM 486 N PRO A 34 -6.568 -14.434 -5.248 1.00 0.00 N ATOM 487 CA PRO A 34 -5.528 -14.944 -4.352 1.00 0.00 C ATOM 488 C PRO A 34 -4.149 -14.384 -4.685 1.00 0.00 C ATOM 489 O PRO A 34 -4.023 -13.442 -5.465 1.00 0.00 O ATOM 490 CB PRO A 34 -5.568 -16.450 -4.598 1.00 0.00 C ATOM 491 CG PRO A 34 -6.021 -16.585 -6.011 1.00 0.00 C ATOM 492 CD PRO A 34 -6.959 -15.434 -6.264 1.00 0.00 C ATOM 0 HA PRO A 34 -5.704 -14.660 -3.314 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -4.587 -16.902 -4.451 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -6.254 -16.946 -3.912 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -5.174 -16.554 -6.696 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -6.524 -17.539 -6.169 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -6.848 -15.042 -7.275 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -8.001 -15.734 -6.151 1.00 0.00 H new ATOM 500 N GLY A 35 -3.118 -14.972 -4.087 1.00 0.00 N ATOM 501 CA GLY A 35 -1.762 -14.520 -4.334 1.00 0.00 C ATOM 502 C GLY A 35 -1.261 -13.570 -3.264 1.00 0.00 C ATOM 503 O GLY A 35 -1.140 -13.947 -2.098 1.00 0.00 O ATOM 0 H GLY A 35 -3.198 -15.753 -3.436 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -1.099 -15.384 -4.388 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -1.719 -14.024 -5.304 1.00 0.00 H new ATOM 507 N GLN A 36 -0.970 -12.336 -3.660 1.00 0.00 N ATOM 508 CA GLN A 36 -0.479 -11.328 -2.726 1.00 0.00 C ATOM 509 C GLN A 36 -0.804 -9.923 -3.221 1.00 0.00 C ATOM 510 O GLN A 36 -0.377 -9.521 -4.303 1.00 0.00 O ATOM 511 CB GLN A 36 1.031 -11.477 -2.532 1.00 0.00 C ATOM 512 CG GLN A 36 1.419 -12.654 -1.652 1.00 0.00 C ATOM 513 CD GLN A 36 0.818 -12.565 -0.264 1.00 0.00 C ATOM 514 OE1 GLN A 36 0.845 -11.511 0.372 1.00 0.00 O ATOM 515 NE2 GLN A 36 0.271 -13.677 0.217 1.00 0.00 N ATOM 0 H GLN A 36 -1.065 -12.009 -4.621 1.00 0.00 H new ATOM 0 HA GLN A 36 -0.979 -11.480 -1.769 1.00 0.00 H new ATOM 0 HB2 GLN A 36 1.504 -11.592 -3.507 1.00 0.00 H new ATOM 0 HB3 GLN A 36 1.424 -10.560 -2.092 1.00 0.00 H new ATOM 0 HG2 GLN A 36 1.094 -13.580 -2.126 1.00 0.00 H new ATOM 0 HG3 GLN A 36 2.505 -12.701 -1.572 1.00 0.00 H new ATOM 0 HE21 GLN A 36 0.270 -14.529 -0.344 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -0.148 -13.678 1.147 1.00 0.00 H new ATOM 524 N TRP A 37 -1.563 -9.181 -2.422 1.00 0.00 N ATOM 525 CA TRP A 37 -1.946 -7.820 -2.778 1.00 0.00 C ATOM 526 C TRP A 37 -1.401 -6.818 -1.765 1.00 0.00 C ATOM 527 O TRP A 37 -0.806 -7.201 -0.757 1.00 0.00 O ATOM 528 CB TRP A 37 -3.469 -7.701 -2.861 1.00 0.00 C ATOM 529 CG TRP A 37 -4.061 -8.445 -4.017 1.00 0.00 C ATOM 530 CD1 TRP A 37 -4.490 -9.742 -4.025 1.00 0.00 C ATOM 531 CD2 TRP A 37 -4.291 -7.938 -5.337 1.00 0.00 C ATOM 532 NE1 TRP A 37 -4.972 -10.071 -5.269 1.00 0.00 N ATOM 533 CE2 TRP A 37 -4.860 -8.981 -6.092 1.00 0.00 C ATOM 534 CE3 TRP A 37 -4.070 -6.703 -5.954 1.00 0.00 C ATOM 535 CZ2 TRP A 37 -5.211 -8.827 -7.430 1.00 0.00 C ATOM 536 CZ3 TRP A 37 -4.419 -6.551 -7.283 1.00 0.00 C ATOM 537 CH2 TRP A 37 -4.985 -7.608 -8.009 1.00 0.00 C ATOM 0 H TRP A 37 -1.925 -9.499 -1.523 1.00 0.00 H new ATOM 0 HA TRP A 37 -1.517 -7.593 -3.754 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -3.906 -8.075 -1.935 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -3.740 -6.648 -2.939 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -4.455 -10.411 -3.178 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -5.352 -10.979 -5.536 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -3.635 -5.883 -5.402 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -5.646 -9.641 -7.991 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -4.253 -5.602 -7.770 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -5.248 -7.457 -9.046 1.00 0.00 H new ATOM 548 N ALA A 38 -1.606 -5.535 -2.040 1.00 0.00 N ATOM 549 CA ALA A 38 -1.135 -4.478 -1.153 1.00 0.00 C ATOM 550 C ALA A 38 -2.110 -3.305 -1.128 1.00 0.00 C ATOM 551 O ALA A 38 -2.225 -2.560 -2.101 1.00 0.00 O ATOM 552 CB ALA A 38 0.247 -4.009 -1.581 1.00 0.00 C ATOM 0 H ALA A 38 -2.095 -5.202 -2.870 1.00 0.00 H new ATOM 0 HA ALA A 38 -1.073 -4.885 -0.144 1.00 0.00 H new ATOM 0 HB1 ALA A 38 0.587 -3.220 -0.911 1.00 0.00 H new ATOM 0 HB2 ALA A 38 0.944 -4.846 -1.540 1.00 0.00 H new ATOM 0 HB3 ALA A 38 0.201 -3.625 -2.600 1.00 0.00 H new ATOM 558 N GLY A 39 -2.810 -3.149 -0.009 1.00 0.00 N ATOM 559 CA GLY A 39 -3.766 -2.065 0.121 1.00 0.00 C ATOM 560 C GLY A 39 -3.094 -0.714 0.279 1.00 0.00 C ATOM 561 O GLY A 39 -2.084 -0.594 0.971 1.00 0.00 O ATOM 0 H GLY A 39 -2.732 -3.753 0.809 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -4.411 -2.046 -0.758 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -4.407 -2.251 0.983 1.00 0.00 H new ATOM 565 N ILE A 40 -3.657 0.303 -0.364 1.00 0.00 N ATOM 566 CA ILE A 40 -3.106 1.650 -0.292 1.00 0.00 C ATOM 567 C ILE A 40 -4.216 2.695 -0.238 1.00 0.00 C ATOM 568 O ILE A 40 -5.209 2.597 -0.959 1.00 0.00 O ATOM 569 CB ILE A 40 -2.193 1.950 -1.497 1.00 0.00 C ATOM 570 CG1 ILE A 40 -1.190 0.813 -1.702 1.00 0.00 C ATOM 571 CG2 ILE A 40 -1.469 3.273 -1.296 1.00 0.00 C ATOM 572 CD1 ILE A 40 -0.285 1.014 -2.896 1.00 0.00 C ATOM 0 H ILE A 40 -4.494 0.220 -0.941 1.00 0.00 H new ATOM 0 HA ILE A 40 -2.516 1.701 0.623 1.00 0.00 H new ATOM 0 HB ILE A 40 -2.811 2.028 -2.391 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -0.578 0.713 -0.805 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -1.734 -0.124 -1.823 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -0.828 3.471 -2.155 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -2.199 4.076 -1.195 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -0.860 3.221 -0.393 1.00 0.00 H new ATOM 0 HD11 ILE A 40 0.400 0.170 -2.980 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -0.888 1.084 -3.802 1.00 0.00 H new ATOM 0 HD13 ILE A 40 0.287 1.933 -2.769 1.00 0.00 H new ATOM 584 N VAL A 41 -4.040 3.694 0.620 1.00 0.00 N ATOM 585 CA VAL A 41 -5.026 4.757 0.767 1.00 0.00 C ATOM 586 C VAL A 41 -4.636 5.986 -0.046 1.00 0.00 C ATOM 587 O VAL A 41 -3.765 6.759 0.356 1.00 0.00 O ATOM 588 CB VAL A 41 -5.197 5.165 2.243 1.00 0.00 C ATOM 589 CG1 VAL A 41 -6.363 6.128 2.400 1.00 0.00 C ATOM 590 CG2 VAL A 41 -5.388 3.935 3.117 1.00 0.00 C ATOM 0 H VAL A 41 -3.224 3.789 1.224 1.00 0.00 H new ATOM 0 HA VAL A 41 -5.972 4.364 0.394 1.00 0.00 H new ATOM 0 HB VAL A 41 -4.290 5.676 2.568 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -6.468 6.405 3.449 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -6.178 7.023 1.806 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -7.280 5.648 2.058 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -5.507 4.242 4.156 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -6.277 3.394 2.794 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.516 3.286 3.028 1.00 0.00 H new ATOM 600 N LEU A 42 -5.287 6.163 -1.191 1.00 0.00 N ATOM 601 CA LEU A 42 -5.009 7.299 -2.061 1.00 0.00 C ATOM 602 C LEU A 42 -5.391 8.610 -1.383 1.00 0.00 C ATOM 603 O LEU A 42 -6.398 8.685 -0.679 1.00 0.00 O ATOM 604 CB LEU A 42 -5.767 7.154 -3.383 1.00 0.00 C ATOM 605 CG LEU A 42 -5.367 5.945 -4.230 1.00 0.00 C ATOM 606 CD1 LEU A 42 -6.239 5.851 -5.472 1.00 0.00 C ATOM 607 CD2 LEU A 42 -3.897 6.027 -4.613 1.00 0.00 C ATOM 0 H LEU A 42 -6.011 5.534 -1.538 1.00 0.00 H new ATOM 0 HA LEU A 42 -3.938 7.315 -2.264 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -6.834 7.090 -3.167 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -5.614 8.058 -3.973 1.00 0.00 H new ATOM 0 HG LEU A 42 -5.518 5.043 -3.637 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -5.940 4.985 -6.062 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -7.283 5.745 -5.177 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -6.121 6.755 -6.069 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -3.629 5.159 -5.215 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -3.721 6.936 -5.188 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -3.286 6.045 -3.710 1.00 0.00 H new ATOM 619 N ASP A 43 -4.581 9.640 -1.600 1.00 0.00 N ATOM 620 CA ASP A 43 -4.835 10.949 -1.008 1.00 0.00 C ATOM 621 C ASP A 43 -6.108 11.567 -1.579 1.00 0.00 C ATOM 622 O ASP A 43 -6.809 12.311 -0.893 1.00 0.00 O ATOM 623 CB ASP A 43 -3.647 11.882 -1.254 1.00 0.00 C ATOM 624 CG ASP A 43 -2.572 11.740 -0.195 1.00 0.00 C ATOM 625 OD1 ASP A 43 -2.906 11.342 0.941 1.00 0.00 O ATOM 626 OD2 ASP A 43 -1.395 12.025 -0.502 1.00 0.00 O ATOM 0 H ASP A 43 -3.744 9.595 -2.181 1.00 0.00 H new ATOM 0 HA ASP A 43 -4.967 10.815 0.066 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -3.219 11.670 -2.234 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -3.997 12.914 -1.276 1.00 0.00 H new ATOM 631 N GLU A 44 -6.400 11.253 -2.837 1.00 0.00 N ATOM 632 CA GLU A 44 -7.589 11.778 -3.500 1.00 0.00 C ATOM 633 C GLU A 44 -8.465 10.645 -4.026 1.00 0.00 C ATOM 634 O GLU A 44 -7.976 9.549 -4.304 1.00 0.00 O ATOM 635 CB GLU A 44 -7.189 12.706 -4.649 1.00 0.00 C ATOM 636 CG GLU A 44 -6.314 13.871 -4.215 1.00 0.00 C ATOM 637 CD GLU A 44 -5.173 14.132 -5.177 1.00 0.00 C ATOM 638 OE1 GLU A 44 -5.446 14.357 -6.377 1.00 0.00 O ATOM 639 OE2 GLU A 44 -4.006 14.113 -4.734 1.00 0.00 O ATOM 0 H GLU A 44 -5.830 10.638 -3.418 1.00 0.00 H new ATOM 0 HA GLU A 44 -8.163 12.345 -2.767 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -6.659 12.127 -5.405 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -8.091 13.096 -5.121 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -6.926 14.769 -4.131 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -5.909 13.667 -3.224 1.00 0.00 H new ATOM 646 N PRO A 45 -9.777 10.894 -4.172 1.00 0.00 N ATOM 647 CA PRO A 45 -10.721 9.888 -4.669 1.00 0.00 C ATOM 648 C PRO A 45 -10.515 9.582 -6.149 1.00 0.00 C ATOM 649 O PRO A 45 -11.221 10.110 -7.007 1.00 0.00 O ATOM 650 CB PRO A 45 -12.087 10.540 -4.443 1.00 0.00 C ATOM 651 CG PRO A 45 -11.815 12.004 -4.456 1.00 0.00 C ATOM 652 CD PRO A 45 -10.443 12.175 -3.866 1.00 0.00 C ATOM 0 HA PRO A 45 -10.602 8.931 -4.161 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -12.793 10.262 -5.226 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -12.523 10.227 -3.494 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -11.855 12.399 -5.471 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -12.561 12.545 -3.873 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -9.916 13.018 -4.312 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -10.487 12.359 -2.792 1.00 0.00 H new ATOM 660 N ILE A 46 -9.541 8.725 -6.440 1.00 0.00 N ATOM 661 CA ILE A 46 -9.240 8.348 -7.815 1.00 0.00 C ATOM 662 C ILE A 46 -8.876 6.871 -7.913 1.00 0.00 C ATOM 663 O ILE A 46 -8.085 6.470 -8.767 1.00 0.00 O ATOM 664 CB ILE A 46 -8.084 9.189 -8.389 1.00 0.00 C ATOM 665 CG1 ILE A 46 -6.847 9.071 -7.497 1.00 0.00 C ATOM 666 CG2 ILE A 46 -8.506 10.644 -8.530 1.00 0.00 C ATOM 667 CD1 ILE A 46 -5.548 9.338 -8.228 1.00 0.00 C ATOM 0 H ILE A 46 -8.947 8.279 -5.741 1.00 0.00 H new ATOM 0 HA ILE A 46 -10.141 8.537 -8.398 1.00 0.00 H new ATOM 0 HB ILE A 46 -7.833 8.807 -9.378 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -6.939 9.772 -6.667 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -6.813 8.070 -7.066 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -7.678 11.225 -8.937 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -9.361 10.711 -9.202 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -8.781 11.039 -7.552 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -4.713 9.237 -7.535 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -5.434 8.621 -9.041 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -5.561 10.349 -8.636 1.00 0.00 H new ATOM 679 N GLY A 47 -9.459 6.064 -7.032 1.00 0.00 N ATOM 680 CA GLY A 47 -9.185 4.639 -7.037 1.00 0.00 C ATOM 681 C GLY A 47 -10.331 3.829 -7.608 1.00 0.00 C ATOM 682 O GLY A 47 -11.146 4.347 -8.372 1.00 0.00 O ATOM 0 H GLY A 47 -10.116 6.372 -6.315 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -8.284 4.448 -7.619 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -8.982 4.308 -6.018 1.00 0.00 H new ATOM 686 N LYS A 48 -10.396 2.555 -7.236 1.00 0.00 N ATOM 687 CA LYS A 48 -11.452 1.671 -7.716 1.00 0.00 C ATOM 688 C LYS A 48 -12.378 1.260 -6.576 1.00 0.00 C ATOM 689 O LYS A 48 -13.600 1.267 -6.722 1.00 0.00 O ATOM 690 CB LYS A 48 -10.847 0.427 -8.369 1.00 0.00 C ATOM 691 CG LYS A 48 -10.059 0.727 -9.635 1.00 0.00 C ATOM 692 CD LYS A 48 -9.519 -0.545 -10.269 1.00 0.00 C ATOM 693 CE LYS A 48 -8.120 -0.341 -10.830 1.00 0.00 C ATOM 694 NZ LYS A 48 -8.075 -0.560 -12.302 1.00 0.00 N ATOM 0 H LYS A 48 -9.730 2.111 -6.604 1.00 0.00 H new ATOM 0 HA LYS A 48 -12.037 2.215 -8.458 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -10.192 -0.068 -7.652 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -11.647 -0.274 -8.606 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -10.698 1.247 -10.348 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -9.232 1.397 -9.400 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -9.501 -1.343 -9.527 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -10.188 -0.867 -11.067 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -7.782 0.670 -10.603 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -7.429 -1.026 -10.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -7.105 -0.411 -12.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -8.374 -1.533 -12.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -8.715 0.111 -12.773 1.00 0.00 H new ATOM 708 N ASN A 49 -11.787 0.902 -5.440 1.00 0.00 N ATOM 709 CA ASN A 49 -12.559 0.489 -4.274 1.00 0.00 C ATOM 710 C ASN A 49 -12.479 1.536 -3.169 1.00 0.00 C ATOM 711 O ASN A 49 -11.643 2.438 -3.214 1.00 0.00 O ATOM 712 CB ASN A 49 -12.052 -0.858 -3.754 1.00 0.00 C ATOM 713 CG ASN A 49 -12.236 -1.975 -4.763 1.00 0.00 C ATOM 714 OD1 ASN A 49 -13.352 -2.442 -4.993 1.00 0.00 O ATOM 715 ND2 ASN A 49 -11.138 -2.408 -5.372 1.00 0.00 N ATOM 0 H ASN A 49 -10.776 0.890 -5.303 1.00 0.00 H new ATOM 0 HA ASN A 49 -13.601 0.386 -4.576 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -10.995 -0.772 -3.500 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -12.581 -1.112 -2.835 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -11.199 -3.157 -6.062 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -10.234 -1.992 -5.150 1.00 0.00 H new ATOM 722 N ASP A 50 -13.356 1.411 -2.178 1.00 0.00 N ATOM 723 CA ASP A 50 -13.385 2.348 -1.059 1.00 0.00 C ATOM 724 C ASP A 50 -12.980 1.658 0.239 1.00 0.00 C ATOM 725 O ASP A 50 -13.511 1.962 1.307 1.00 0.00 O ATOM 726 CB ASP A 50 -14.781 2.958 -0.914 1.00 0.00 C ATOM 727 CG ASP A 50 -15.853 1.905 -0.719 1.00 0.00 C ATOM 728 OD1 ASP A 50 -15.887 1.283 0.364 1.00 0.00 O ATOM 729 OD2 ASP A 50 -16.662 1.702 -1.649 1.00 0.00 O ATOM 0 H ASP A 50 -14.056 0.671 -2.126 1.00 0.00 H new ATOM 0 HA ASP A 50 -12.669 3.143 -1.264 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -14.789 3.643 -0.066 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -15.011 3.547 -1.802 1.00 0.00 H new ATOM 734 N GLY A 51 -12.037 0.727 0.139 1.00 0.00 N ATOM 735 CA GLY A 51 -11.577 0.008 1.313 1.00 0.00 C ATOM 736 C GLY A 51 -12.070 -1.425 1.346 1.00 0.00 C ATOM 737 O GLY A 51 -11.420 -2.300 1.918 1.00 0.00 O ATOM 0 H GLY A 51 -11.583 0.458 -0.734 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -10.487 0.015 1.335 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -11.917 0.527 2.209 1.00 0.00 H new ATOM 741 N SER A 52 -13.225 -1.666 0.734 1.00 0.00 N ATOM 742 CA SER A 52 -13.806 -3.003 0.697 1.00 0.00 C ATOM 743 C SER A 52 -14.173 -3.397 -0.730 1.00 0.00 C ATOM 744 O SER A 52 -14.503 -2.545 -1.555 1.00 0.00 O ATOM 745 CB SER A 52 -15.046 -3.067 1.591 1.00 0.00 C ATOM 746 OG SER A 52 -16.126 -2.351 1.018 1.00 0.00 O ATOM 0 H SER A 52 -13.777 -0.953 0.257 1.00 0.00 H new ATOM 0 HA SER A 52 -13.061 -3.707 1.069 1.00 0.00 H new ATOM 0 HB2 SER A 52 -15.335 -4.107 1.743 1.00 0.00 H new ATOM 0 HB3 SER A 52 -14.812 -2.654 2.572 1.00 0.00 H new ATOM 0 HG SER A 52 -16.906 -2.409 1.608 1.00 0.00 H new ATOM 752 N VAL A 53 -14.113 -4.694 -1.014 1.00 0.00 N ATOM 753 CA VAL A 53 -14.438 -5.201 -2.341 1.00 0.00 C ATOM 754 C VAL A 53 -15.486 -6.307 -2.264 1.00 0.00 C ATOM 755 O VAL A 53 -15.228 -7.384 -1.728 1.00 0.00 O ATOM 756 CB VAL A 53 -13.188 -5.745 -3.058 1.00 0.00 C ATOM 757 CG1 VAL A 53 -13.505 -6.083 -4.507 1.00 0.00 C ATOM 758 CG2 VAL A 53 -12.047 -4.742 -2.975 1.00 0.00 C ATOM 0 H VAL A 53 -13.842 -5.413 -0.343 1.00 0.00 H new ATOM 0 HA VAL A 53 -14.837 -4.362 -2.911 1.00 0.00 H new ATOM 0 HB VAL A 53 -12.875 -6.661 -2.557 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -12.609 -6.466 -4.996 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -14.288 -6.840 -4.541 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -13.845 -5.186 -5.024 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -11.172 -5.143 -3.487 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -12.348 -3.808 -3.449 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -11.802 -4.555 -1.929 1.00 0.00 H new ATOM 768 N ALA A 54 -16.669 -6.032 -2.805 1.00 0.00 N ATOM 769 CA ALA A 54 -17.757 -7.003 -2.797 1.00 0.00 C ATOM 770 C ALA A 54 -18.152 -7.373 -1.372 1.00 0.00 C ATOM 771 O ALA A 54 -18.593 -8.492 -1.111 1.00 0.00 O ATOM 772 CB ALA A 54 -17.358 -8.247 -3.577 1.00 0.00 C ATOM 0 H ALA A 54 -16.898 -5.145 -3.254 1.00 0.00 H new ATOM 0 HA ALA A 54 -18.622 -6.547 -3.278 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -18.179 -8.964 -3.563 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -17.132 -7.973 -4.608 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -16.476 -8.696 -3.120 1.00 0.00 H new ATOM 778 N GLY A 55 -17.994 -6.425 -0.455 1.00 0.00 N ATOM 779 CA GLY A 55 -18.339 -6.671 0.933 1.00 0.00 C ATOM 780 C GLY A 55 -17.122 -6.934 1.798 1.00 0.00 C ATOM 781 O GLY A 55 -17.131 -6.655 2.997 1.00 0.00 O ATOM 0 H GLY A 55 -17.633 -5.491 -0.648 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -18.881 -5.811 1.327 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -19.013 -7.526 0.990 1.00 0.00 H new ATOM 785 N VAL A 56 -16.071 -7.474 1.188 1.00 0.00 N ATOM 786 CA VAL A 56 -14.841 -7.777 1.909 1.00 0.00 C ATOM 787 C VAL A 56 -14.053 -6.506 2.209 1.00 0.00 C ATOM 788 O VAL A 56 -13.400 -5.946 1.327 1.00 0.00 O ATOM 789 CB VAL A 56 -13.946 -8.745 1.115 1.00 0.00 C ATOM 790 CG1 VAL A 56 -12.770 -9.204 1.961 1.00 0.00 C ATOM 791 CG2 VAL A 56 -14.754 -9.936 0.622 1.00 0.00 C ATOM 0 H VAL A 56 -16.047 -7.710 0.196 1.00 0.00 H new ATOM 0 HA VAL A 56 -15.134 -8.251 2.846 1.00 0.00 H new ATOM 0 HB VAL A 56 -13.553 -8.216 0.247 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -12.150 -9.888 1.381 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -12.177 -8.340 2.259 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -13.139 -9.715 2.850 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -14.105 -10.610 0.063 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -15.178 -10.466 1.475 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -15.559 -9.587 -0.025 1.00 0.00 H new ATOM 801 N ARG A 57 -14.117 -6.056 3.458 1.00 0.00 N ATOM 802 CA ARG A 57 -13.409 -4.850 3.873 1.00 0.00 C ATOM 803 C ARG A 57 -12.003 -5.186 4.361 1.00 0.00 C ATOM 804 O ARG A 57 -11.816 -6.102 5.163 1.00 0.00 O ATOM 805 CB ARG A 57 -14.186 -4.132 4.977 1.00 0.00 C ATOM 806 CG ARG A 57 -13.605 -2.778 5.348 1.00 0.00 C ATOM 807 CD ARG A 57 -14.216 -2.241 6.632 1.00 0.00 C ATOM 808 NE ARG A 57 -13.867 -3.063 7.789 1.00 0.00 N ATOM 809 CZ ARG A 57 -13.964 -2.648 9.049 1.00 0.00 C ATOM 810 NH1 ARG A 57 -14.398 -1.423 9.321 1.00 0.00 N ATOM 811 NH2 ARG A 57 -13.626 -3.460 10.042 1.00 0.00 N ATOM 0 H ARG A 57 -14.651 -6.508 4.200 1.00 0.00 H new ATOM 0 HA ARG A 57 -13.327 -4.191 3.009 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -15.219 -3.999 4.655 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -14.208 -4.764 5.865 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -12.525 -2.865 5.467 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -13.781 -2.071 4.537 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -13.874 -1.219 6.797 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -15.300 -2.202 6.529 1.00 0.00 H new ATOM 0 HE ARG A 57 -13.529 -4.011 7.620 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -14.659 -0.794 8.562 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -14.470 -1.111 10.289 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -13.292 -4.402 9.839 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -13.700 -3.142 11.008 1.00 0.00 H new ATOM 825 N TYR A 58 -11.019 -4.440 3.872 1.00 0.00 N ATOM 826 CA TYR A 58 -9.629 -4.658 4.258 1.00 0.00 C ATOM 827 C TYR A 58 -9.124 -3.517 5.136 1.00 0.00 C ATOM 828 O TYR A 58 -8.382 -3.738 6.093 1.00 0.00 O ATOM 829 CB TYR A 58 -8.747 -4.790 3.015 1.00 0.00 C ATOM 830 CG TYR A 58 -9.271 -5.784 2.004 1.00 0.00 C ATOM 831 CD1 TYR A 58 -10.350 -5.470 1.188 1.00 0.00 C ATOM 832 CD2 TYR A 58 -8.688 -7.037 1.866 1.00 0.00 C ATOM 833 CE1 TYR A 58 -10.833 -6.375 0.262 1.00 0.00 C ATOM 834 CE2 TYR A 58 -9.164 -7.949 0.942 1.00 0.00 C ATOM 835 CZ TYR A 58 -10.236 -7.613 0.143 1.00 0.00 C ATOM 836 OH TYR A 58 -10.714 -8.517 -0.777 1.00 0.00 O ATOM 0 H TYR A 58 -11.158 -3.679 3.207 1.00 0.00 H new ATOM 0 HA TYR A 58 -9.577 -5.584 4.831 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -8.656 -3.814 2.539 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -7.745 -5.090 3.321 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -10.820 -4.502 1.279 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -7.849 -7.304 2.491 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -11.673 -6.115 -0.365 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -8.699 -8.919 0.847 1.00 0.00 H new ATOM 0 HH TYR A 58 -10.483 -8.217 -1.681 1.00 0.00 H new ATOM 846 N PHE A 59 -9.530 -2.296 4.801 1.00 0.00 N ATOM 847 CA PHE A 59 -9.119 -1.120 5.559 1.00 0.00 C ATOM 848 C PHE A 59 -10.123 0.015 5.388 1.00 0.00 C ATOM 849 O PHE A 59 -10.536 0.330 4.272 1.00 0.00 O ATOM 850 CB PHE A 59 -7.730 -0.660 5.112 1.00 0.00 C ATOM 851 CG PHE A 59 -7.586 -0.545 3.621 1.00 0.00 C ATOM 852 CD1 PHE A 59 -7.207 -1.641 2.862 1.00 0.00 C ATOM 853 CD2 PHE A 59 -7.831 0.658 2.979 1.00 0.00 C ATOM 854 CE1 PHE A 59 -7.074 -1.538 1.491 1.00 0.00 C ATOM 855 CE2 PHE A 59 -7.700 0.767 1.608 1.00 0.00 C ATOM 856 CZ PHE A 59 -7.321 -0.333 0.862 1.00 0.00 C ATOM 0 H PHE A 59 -10.143 -2.096 4.010 1.00 0.00 H new ATOM 0 HA PHE A 59 -9.082 -1.392 6.614 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -7.513 0.307 5.565 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -6.986 -1.362 5.488 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -7.014 -2.586 3.348 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -8.128 1.521 3.557 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -6.777 -2.399 0.911 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -7.894 1.711 1.120 1.00 0.00 H new ATOM 0 HZ PHE A 59 -7.218 -0.251 -0.210 1.00 0.00 H new ATOM 866 N GLN A 60 -10.513 0.625 6.503 1.00 0.00 N ATOM 867 CA GLN A 60 -11.470 1.726 6.477 1.00 0.00 C ATOM 868 C GLN A 60 -10.864 2.960 5.817 1.00 0.00 C ATOM 869 O GLN A 60 -9.907 3.544 6.327 1.00 0.00 O ATOM 870 CB GLN A 60 -11.926 2.066 7.897 1.00 0.00 C ATOM 871 CG GLN A 60 -13.044 3.094 7.947 1.00 0.00 C ATOM 872 CD GLN A 60 -14.417 2.472 7.782 1.00 0.00 C ATOM 873 OE1 GLN A 60 -15.095 2.167 8.763 1.00 0.00 O ATOM 874 NE2 GLN A 60 -14.833 2.281 6.536 1.00 0.00 N ATOM 0 H GLN A 60 -10.182 0.376 7.435 1.00 0.00 H new ATOM 0 HA GLN A 60 -12.333 1.410 5.891 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -12.260 1.153 8.391 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -11.074 2.441 8.464 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -13.002 3.625 8.898 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -12.888 3.834 7.162 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -14.237 2.549 5.753 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -15.748 1.866 6.362 1.00 0.00 H new ATOM 883 N CYS A 61 -11.427 3.352 4.678 1.00 0.00 N ATOM 884 CA CYS A 61 -10.943 4.518 3.948 1.00 0.00 C ATOM 885 C CYS A 61 -12.089 5.224 3.231 1.00 0.00 C ATOM 886 O CYS A 61 -13.183 4.675 3.095 1.00 0.00 O ATOM 887 CB CYS A 61 -9.870 4.104 2.938 1.00 0.00 C ATOM 888 SG CYS A 61 -10.457 2.964 1.663 1.00 0.00 S ATOM 0 H CYS A 61 -12.218 2.879 4.241 1.00 0.00 H new ATOM 0 HA CYS A 61 -10.506 5.211 4.667 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -9.475 4.999 2.456 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -9.043 3.638 3.473 1.00 0.00 H new ATOM 0 HG CYS A 61 -9.629 1.968 1.557 1.00 0.00 H new ATOM 894 N GLU A 62 -11.831 6.445 2.773 1.00 0.00 N ATOM 895 CA GLU A 62 -12.841 7.227 2.071 1.00 0.00 C ATOM 896 C GLU A 62 -13.119 6.644 0.687 1.00 0.00 C ATOM 897 O GLU A 62 -12.358 5.815 0.189 1.00 0.00 O ATOM 898 CB GLU A 62 -12.392 8.686 1.947 1.00 0.00 C ATOM 899 CG GLU A 62 -13.063 9.616 2.943 1.00 0.00 C ATOM 900 CD GLU A 62 -12.997 11.070 2.519 1.00 0.00 C ATOM 901 OE1 GLU A 62 -13.503 11.392 1.422 1.00 0.00 O ATOM 902 OE2 GLU A 62 -12.439 11.886 3.282 1.00 0.00 O ATOM 0 H GLU A 62 -10.931 6.914 2.876 1.00 0.00 H new ATOM 0 HA GLU A 62 -13.763 7.188 2.651 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -11.312 8.738 2.085 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -12.602 9.037 0.937 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -14.106 9.323 3.062 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -12.587 9.503 3.917 1.00 0.00 H new ATOM 909 N PRO A 63 -14.221 7.070 0.047 1.00 0.00 N ATOM 910 CA PRO A 63 -14.601 6.586 -1.286 1.00 0.00 C ATOM 911 C PRO A 63 -13.516 6.832 -2.329 1.00 0.00 C ATOM 912 O PRO A 63 -12.916 7.905 -2.373 1.00 0.00 O ATOM 913 CB PRO A 63 -15.853 7.400 -1.626 1.00 0.00 C ATOM 914 CG PRO A 63 -16.388 7.849 -0.309 1.00 0.00 C ATOM 915 CD PRO A 63 -15.188 8.051 0.571 1.00 0.00 C ATOM 0 HA PRO A 63 -14.762 5.508 -1.288 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -15.611 8.250 -2.264 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -16.583 6.795 -2.164 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -16.957 8.773 -0.412 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -17.062 7.104 0.114 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -14.806 9.070 0.504 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -15.421 7.867 1.620 1.00 0.00 H new ATOM 923 N LEU A 64 -13.278 5.834 -3.172 1.00 0.00 N ATOM 924 CA LEU A 64 -12.275 5.941 -4.225 1.00 0.00 C ATOM 925 C LEU A 64 -10.899 6.273 -3.652 1.00 0.00 C ATOM 926 O LEU A 64 -10.051 6.840 -4.342 1.00 0.00 O ATOM 927 CB LEU A 64 -12.689 7.010 -5.238 1.00 0.00 C ATOM 928 CG LEU A 64 -14.109 6.864 -5.787 1.00 0.00 C ATOM 929 CD1 LEU A 64 -14.681 8.225 -6.157 1.00 0.00 C ATOM 930 CD2 LEU A 64 -14.120 5.935 -6.991 1.00 0.00 C ATOM 0 H LEU A 64 -13.767 4.939 -3.147 1.00 0.00 H new ATOM 0 HA LEU A 64 -12.209 4.974 -4.724 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -12.596 7.989 -4.769 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -11.989 6.989 -6.073 1.00 0.00 H new ATOM 0 HG LEU A 64 -14.736 6.428 -5.010 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -15.692 8.101 -6.546 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -14.708 8.861 -5.272 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -14.054 8.689 -6.918 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -15.138 5.842 -7.369 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -13.478 6.344 -7.772 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -13.751 4.953 -6.696 1.00 0.00 H new ATOM 942 N LYS A 65 -10.679 5.916 -2.391 1.00 0.00 N ATOM 943 CA LYS A 65 -9.401 6.176 -1.736 1.00 0.00 C ATOM 944 C LYS A 65 -8.753 4.875 -1.275 1.00 0.00 C ATOM 945 O LYS A 65 -8.066 4.840 -0.255 1.00 0.00 O ATOM 946 CB LYS A 65 -9.592 7.115 -0.543 1.00 0.00 C ATOM 947 CG LYS A 65 -10.038 8.514 -0.937 1.00 0.00 C ATOM 948 CD LYS A 65 -9.885 9.496 0.215 1.00 0.00 C ATOM 949 CE LYS A 65 -8.819 10.540 -0.076 1.00 0.00 C ATOM 950 NZ LYS A 65 -8.090 10.949 1.157 1.00 0.00 N ATOM 0 H LYS A 65 -11.367 5.447 -1.803 1.00 0.00 H new ATOM 0 HA LYS A 65 -8.742 6.654 -2.461 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -10.330 6.684 0.134 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -8.655 7.183 0.009 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -9.451 8.857 -1.789 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -11.079 8.488 -1.258 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -10.838 9.991 0.401 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -9.625 8.953 1.124 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -8.110 10.142 -0.802 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -9.283 11.415 -0.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -7.384 11.674 0.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -8.765 11.337 1.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -7.612 10.122 1.568 1.00 0.00 H new ATOM 964 N GLY A 66 -8.975 3.809 -2.036 1.00 0.00 N ATOM 965 CA GLY A 66 -8.405 2.520 -1.692 1.00 0.00 C ATOM 966 C GLY A 66 -8.262 1.610 -2.896 1.00 0.00 C ATOM 967 O GLY A 66 -9.230 1.363 -3.616 1.00 0.00 O ATOM 0 H GLY A 66 -9.540 3.815 -2.885 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -7.427 2.669 -1.235 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -9.035 2.035 -0.946 1.00 0.00 H new ATOM 971 N ILE A 67 -7.050 1.109 -3.115 1.00 0.00 N ATOM 972 CA ILE A 67 -6.782 0.223 -4.240 1.00 0.00 C ATOM 973 C ILE A 67 -5.726 -0.818 -3.879 1.00 0.00 C ATOM 974 O ILE A 67 -4.939 -0.623 -2.952 1.00 0.00 O ATOM 975 CB ILE A 67 -6.314 1.013 -5.479 1.00 0.00 C ATOM 976 CG1 ILE A 67 -6.142 0.076 -6.677 1.00 0.00 C ATOM 977 CG2 ILE A 67 -5.016 1.750 -5.184 1.00 0.00 C ATOM 978 CD1 ILE A 67 -5.916 0.803 -7.986 1.00 0.00 C ATOM 0 H ILE A 67 -6.239 1.302 -2.528 1.00 0.00 H new ATOM 0 HA ILE A 67 -7.718 -0.283 -4.477 1.00 0.00 H new ATOM 0 HB ILE A 67 -7.077 1.751 -5.726 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -5.299 -0.589 -6.490 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -7.029 -0.551 -6.768 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -4.701 2.302 -6.070 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -5.172 2.446 -4.360 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -4.243 1.031 -4.911 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -5.803 0.077 -8.791 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -6.770 1.447 -8.196 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -5.013 1.409 -7.914 1.00 0.00 H new ATOM 990 N PHE A 68 -5.715 -1.924 -4.617 1.00 0.00 N ATOM 991 CA PHE A 68 -4.755 -2.995 -4.375 1.00 0.00 C ATOM 992 C PHE A 68 -3.865 -3.213 -5.593 1.00 0.00 C ATOM 993 O PHE A 68 -4.327 -3.667 -6.640 1.00 0.00 O ATOM 994 CB PHE A 68 -5.486 -4.292 -4.025 1.00 0.00 C ATOM 995 CG PHE A 68 -6.377 -4.174 -2.820 1.00 0.00 C ATOM 996 CD1 PHE A 68 -7.555 -3.447 -2.883 1.00 0.00 C ATOM 997 CD2 PHE A 68 -6.036 -4.790 -1.627 1.00 0.00 C ATOM 998 CE1 PHE A 68 -8.376 -3.335 -1.777 1.00 0.00 C ATOM 999 CE2 PHE A 68 -6.854 -4.682 -0.518 1.00 0.00 C ATOM 1000 CZ PHE A 68 -8.026 -3.954 -0.594 1.00 0.00 C ATOM 0 H PHE A 68 -6.360 -2.102 -5.387 1.00 0.00 H new ATOM 0 HA PHE A 68 -4.125 -2.702 -3.535 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -6.085 -4.604 -4.880 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -4.751 -5.077 -3.848 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -7.835 -2.962 -3.807 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -5.121 -5.361 -1.563 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -9.290 -2.764 -1.838 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -6.577 -5.166 0.407 1.00 0.00 H new ATOM 0 HZ PHE A 68 -8.667 -3.869 0.271 1.00 0.00 H new ATOM 1010 N THR A 69 -2.583 -2.888 -5.449 1.00 0.00 N ATOM 1011 CA THR A 69 -1.626 -3.049 -6.538 1.00 0.00 C ATOM 1012 C THR A 69 -0.473 -3.955 -6.118 1.00 0.00 C ATOM 1013 O THR A 69 -0.351 -4.318 -4.948 1.00 0.00 O ATOM 1014 CB THR A 69 -1.087 -1.687 -6.976 1.00 0.00 C ATOM 1015 OG1 THR A 69 -0.025 -1.843 -7.901 1.00 0.00 O ATOM 1016 CG2 THR A 69 -0.575 -0.848 -5.827 1.00 0.00 C ATOM 0 H THR A 69 -2.184 -2.512 -4.589 1.00 0.00 H new ATOM 0 HA THR A 69 -2.143 -3.514 -7.378 1.00 0.00 H new ATOM 0 HB THR A 69 -1.935 -1.173 -7.429 1.00 0.00 H new ATOM 0 HG1 THR A 69 0.306 -0.961 -8.171 1.00 0.00 H new ATOM 0 HG21 THR A 69 -0.207 0.105 -6.208 1.00 0.00 H new ATOM 0 HG22 THR A 69 -1.384 -0.668 -5.119 1.00 0.00 H new ATOM 0 HG23 THR A 69 0.236 -1.375 -5.325 1.00 0.00 H new ATOM 1024 N ARG A 70 0.370 -4.317 -7.078 1.00 0.00 N ATOM 1025 CA ARG A 70 1.513 -5.180 -6.807 1.00 0.00 C ATOM 1026 C ARG A 70 2.571 -4.443 -5.987 1.00 0.00 C ATOM 1027 O ARG A 70 3.003 -3.352 -6.360 1.00 0.00 O ATOM 1028 CB ARG A 70 2.125 -5.676 -8.119 1.00 0.00 C ATOM 1029 CG ARG A 70 1.118 -6.328 -9.052 1.00 0.00 C ATOM 1030 CD ARG A 70 1.778 -7.366 -9.945 1.00 0.00 C ATOM 1031 NE ARG A 70 0.845 -8.418 -10.343 1.00 0.00 N ATOM 1032 CZ ARG A 70 -0.136 -8.243 -11.227 1.00 0.00 C ATOM 1033 NH1 ARG A 70 -0.316 -7.062 -11.805 1.00 0.00 N ATOM 1034 NH2 ARG A 70 -0.941 -9.252 -11.532 1.00 0.00 N ATOM 0 H ARG A 70 0.283 -4.026 -8.052 1.00 0.00 H new ATOM 0 HA ARG A 70 1.162 -6.035 -6.230 1.00 0.00 H new ATOM 0 HB2 ARG A 70 2.593 -4.836 -8.633 1.00 0.00 H new ATOM 0 HB3 ARG A 70 2.916 -6.392 -7.894 1.00 0.00 H new ATOM 0 HG2 ARG A 70 0.329 -6.799 -8.466 1.00 0.00 H new ATOM 0 HG3 ARG A 70 0.644 -5.564 -9.669 1.00 0.00 H new ATOM 0 HD2 ARG A 70 2.176 -6.878 -10.835 1.00 0.00 H new ATOM 0 HD3 ARG A 70 2.624 -7.811 -9.420 1.00 0.00 H new ATOM 0 HE ARG A 70 0.951 -9.340 -9.919 1.00 0.00 H new ATOM 0 HH11 ARG A 70 0.299 -6.282 -11.573 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -1.069 -6.935 -12.481 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -0.809 -10.162 -11.090 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -1.692 -9.118 -12.209 1.00 0.00 H new ATOM 1048 N PRO A 71 3.007 -5.026 -4.854 1.00 0.00 N ATOM 1049 CA PRO A 71 4.020 -4.409 -3.992 1.00 0.00 C ATOM 1050 C PRO A 71 5.301 -4.082 -4.751 1.00 0.00 C ATOM 1051 O PRO A 71 5.857 -2.994 -4.613 1.00 0.00 O ATOM 1052 CB PRO A 71 4.293 -5.476 -2.927 1.00 0.00 C ATOM 1053 CG PRO A 71 3.074 -6.332 -2.919 1.00 0.00 C ATOM 1054 CD PRO A 71 2.553 -6.327 -4.328 1.00 0.00 C ATOM 0 HA PRO A 71 3.676 -3.460 -3.581 1.00 0.00 H new ATOM 0 HB2 PRO A 71 5.182 -6.058 -3.170 1.00 0.00 H new ATOM 0 HB3 PRO A 71 4.465 -5.024 -1.950 1.00 0.00 H new ATOM 0 HG2 PRO A 71 3.311 -7.345 -2.595 1.00 0.00 H new ATOM 0 HG3 PRO A 71 2.328 -5.942 -2.226 1.00 0.00 H new ATOM 0 HD2 PRO A 71 2.955 -7.158 -4.908 1.00 0.00 H new ATOM 0 HD3 PRO A 71 1.467 -6.415 -4.355 1.00 0.00 H new ATOM 1062 N SER A 72 5.762 -5.036 -5.555 1.00 0.00 N ATOM 1063 CA SER A 72 6.978 -4.854 -6.338 1.00 0.00 C ATOM 1064 C SER A 72 6.860 -3.648 -7.269 1.00 0.00 C ATOM 1065 O SER A 72 7.866 -3.097 -7.715 1.00 0.00 O ATOM 1066 CB SER A 72 7.276 -6.113 -7.155 1.00 0.00 C ATOM 1067 OG SER A 72 7.927 -7.092 -6.364 1.00 0.00 O ATOM 0 H SER A 72 5.311 -5.942 -5.681 1.00 0.00 H new ATOM 0 HA SER A 72 7.799 -4.673 -5.644 1.00 0.00 H new ATOM 0 HB2 SER A 72 6.347 -6.521 -7.552 1.00 0.00 H new ATOM 0 HB3 SER A 72 7.902 -5.856 -8.009 1.00 0.00 H new ATOM 0 HG SER A 72 8.105 -7.887 -6.909 1.00 0.00 H new ATOM 1073 N LYS A 73 5.626 -3.242 -7.558 1.00 0.00 N ATOM 1074 CA LYS A 73 5.383 -2.101 -8.435 1.00 0.00 C ATOM 1075 C LYS A 73 5.173 -0.823 -7.628 1.00 0.00 C ATOM 1076 O LYS A 73 4.460 0.083 -8.060 1.00 0.00 O ATOM 1077 CB LYS A 73 4.164 -2.365 -9.319 1.00 0.00 C ATOM 1078 CG LYS A 73 4.481 -3.169 -10.570 1.00 0.00 C ATOM 1079 CD LYS A 73 4.936 -2.270 -11.709 1.00 0.00 C ATOM 1080 CE LYS A 73 6.452 -2.234 -11.820 1.00 0.00 C ATOM 1081 NZ LYS A 73 6.959 -0.855 -12.063 1.00 0.00 N ATOM 0 H LYS A 73 4.781 -3.685 -7.198 1.00 0.00 H new ATOM 0 HA LYS A 73 6.262 -1.967 -9.066 1.00 0.00 H new ATOM 0 HB2 LYS A 73 3.412 -2.897 -8.736 1.00 0.00 H new ATOM 0 HB3 LYS A 73 3.725 -1.411 -9.612 1.00 0.00 H new ATOM 0 HG2 LYS A 73 5.260 -3.899 -10.347 1.00 0.00 H new ATOM 0 HG3 LYS A 73 3.598 -3.729 -10.877 1.00 0.00 H new ATOM 0 HD2 LYS A 73 4.510 -2.626 -12.647 1.00 0.00 H new ATOM 0 HD3 LYS A 73 4.558 -1.260 -11.550 1.00 0.00 H new ATOM 0 HE2 LYS A 73 6.892 -2.626 -10.903 1.00 0.00 H new ATOM 0 HE3 LYS A 73 6.772 -2.887 -12.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 7.997 -0.874 -12.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 6.559 -0.490 -12.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 6.676 -0.237 -11.276 1.00 0.00 H new ATOM 1095 N LEU A 74 5.795 -0.755 -6.455 1.00 0.00 N ATOM 1096 CA LEU A 74 5.674 0.415 -5.593 1.00 0.00 C ATOM 1097 C LEU A 74 6.955 1.243 -5.619 1.00 0.00 C ATOM 1098 O LEU A 74 8.058 0.700 -5.571 1.00 0.00 O ATOM 1099 CB LEU A 74 5.358 -0.015 -4.158 1.00 0.00 C ATOM 1100 CG LEU A 74 4.017 -0.727 -3.976 1.00 0.00 C ATOM 1101 CD1 LEU A 74 3.812 -1.117 -2.521 1.00 0.00 C ATOM 1102 CD2 LEU A 74 2.876 0.154 -4.460 1.00 0.00 C ATOM 0 H LEU A 74 6.387 -1.496 -6.080 1.00 0.00 H new ATOM 0 HA LEU A 74 4.857 1.031 -5.968 1.00 0.00 H new ATOM 0 HB2 LEU A 74 6.153 -0.675 -3.809 1.00 0.00 H new ATOM 0 HB3 LEU A 74 5.373 0.868 -3.519 1.00 0.00 H new ATOM 0 HG LEU A 74 4.027 -1.637 -4.576 1.00 0.00 H new ATOM 0 HD11 LEU A 74 2.852 -1.622 -2.411 1.00 0.00 H new ATOM 0 HD12 LEU A 74 4.613 -1.787 -2.208 1.00 0.00 H new ATOM 0 HD13 LEU A 74 3.824 -0.222 -1.899 1.00 0.00 H new ATOM 0 HD21 LEU A 74 1.929 -0.369 -4.323 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.865 1.082 -3.888 1.00 0.00 H new ATOM 0 HD23 LEU A 74 3.015 0.382 -5.517 1.00 0.00 H new ATOM 1114 N THR A 75 6.799 2.561 -5.695 1.00 0.00 N ATOM 1115 CA THR A 75 7.943 3.464 -5.728 1.00 0.00 C ATOM 1116 C THR A 75 8.029 4.284 -4.445 1.00 0.00 C ATOM 1117 O THR A 75 7.040 4.437 -3.727 1.00 0.00 O ATOM 1118 CB THR A 75 7.847 4.398 -6.936 1.00 0.00 C ATOM 1119 OG1 THR A 75 7.557 3.665 -8.113 1.00 0.00 O ATOM 1120 CG2 THR A 75 9.114 5.185 -7.187 1.00 0.00 C ATOM 0 H THR A 75 5.892 3.027 -5.735 1.00 0.00 H new ATOM 0 HA THR A 75 8.846 2.860 -5.813 1.00 0.00 H new ATOM 0 HB THR A 75 7.046 5.098 -6.697 1.00 0.00 H new ATOM 0 HG1 THR A 75 7.498 4.279 -8.874 1.00 0.00 H new ATOM 0 HG21 THR A 75 8.977 5.827 -8.057 1.00 0.00 H new ATOM 0 HG22 THR A 75 9.340 5.799 -6.315 1.00 0.00 H new ATOM 0 HG23 THR A 75 9.939 4.497 -7.370 1.00 0.00 H new ATOM 1128 N ARG A 76 9.216 4.809 -4.163 1.00 0.00 N ATOM 1129 CA ARG A 76 9.433 5.613 -2.966 1.00 0.00 C ATOM 1130 C ARG A 76 9.673 7.076 -3.330 1.00 0.00 C ATOM 1131 O ARG A 76 10.754 7.442 -3.788 1.00 0.00 O ATOM 1132 CB ARG A 76 10.622 5.073 -2.171 1.00 0.00 C ATOM 1133 CG ARG A 76 10.292 3.841 -1.345 1.00 0.00 C ATOM 1134 CD ARG A 76 11.256 3.675 -0.182 1.00 0.00 C ATOM 1135 NE ARG A 76 10.626 3.025 0.964 1.00 0.00 N ATOM 1136 CZ ARG A 76 11.109 3.073 2.204 1.00 0.00 C ATOM 1137 NH1 ARG A 76 12.227 3.740 2.461 1.00 0.00 N ATOM 1138 NH2 ARG A 76 10.473 2.454 3.188 1.00 0.00 N ATOM 0 H ARG A 76 10.044 4.692 -4.748 1.00 0.00 H new ATOM 0 HA ARG A 76 8.536 5.552 -2.350 1.00 0.00 H new ATOM 0 HB2 ARG A 76 11.430 4.832 -2.861 1.00 0.00 H new ATOM 0 HB3 ARG A 76 10.991 5.856 -1.509 1.00 0.00 H new ATOM 0 HG2 ARG A 76 9.273 3.918 -0.966 1.00 0.00 H new ATOM 0 HG3 ARG A 76 10.330 2.956 -1.979 1.00 0.00 H new ATOM 0 HD2 ARG A 76 12.115 3.087 -0.505 1.00 0.00 H new ATOM 0 HD3 ARG A 76 11.633 4.653 0.118 1.00 0.00 H new ATOM 0 HE ARG A 76 9.764 2.503 0.805 1.00 0.00 H new ATOM 0 HH11 ARG A 76 12.720 4.219 1.707 1.00 0.00 H new ATOM 0 HH12 ARG A 76 12.593 3.774 3.412 1.00 0.00 H new ATOM 0 HH21 ARG A 76 9.613 1.940 2.996 1.00 0.00 H new ATOM 0 HH22 ARG A 76 10.843 2.491 4.138 1.00 0.00 H new ATOM 1152 N LYS A 77 8.656 7.906 -3.122 1.00 0.00 N ATOM 1153 CA LYS A 77 8.758 9.328 -3.429 1.00 0.00 C ATOM 1154 C LYS A 77 9.026 9.545 -4.914 1.00 0.00 C ATOM 1155 O LYS A 77 9.488 8.642 -5.610 1.00 0.00 O ATOM 1156 CB LYS A 77 9.869 9.972 -2.598 1.00 0.00 C ATOM 1157 CG LYS A 77 9.544 11.384 -2.136 1.00 0.00 C ATOM 1158 CD LYS A 77 9.849 11.577 -0.658 1.00 0.00 C ATOM 1159 CE LYS A 77 10.682 12.825 -0.417 1.00 0.00 C ATOM 1160 NZ LYS A 77 11.184 12.898 0.983 1.00 0.00 N ATOM 0 H LYS A 77 7.754 7.619 -2.743 1.00 0.00 H new ATOM 0 HA LYS A 77 7.807 9.798 -3.177 1.00 0.00 H new ATOM 0 HB2 LYS A 77 10.066 9.349 -1.725 1.00 0.00 H new ATOM 0 HB3 LYS A 77 10.786 9.994 -3.187 1.00 0.00 H new ATOM 0 HG2 LYS A 77 10.119 12.100 -2.723 1.00 0.00 H new ATOM 0 HG3 LYS A 77 8.490 11.594 -2.321 1.00 0.00 H new ATOM 0 HD2 LYS A 77 8.916 11.648 -0.100 1.00 0.00 H new ATOM 0 HD3 LYS A 77 10.381 10.705 -0.279 1.00 0.00 H new ATOM 0 HE2 LYS A 77 11.526 12.836 -1.106 1.00 0.00 H new ATOM 0 HE3 LYS A 77 10.082 13.709 -0.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 11.747 13.764 1.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 10.378 12.913 1.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 11.778 12.068 1.183 1.00 0.00 H new