USER MOD reduce.3.24.130724 H: found=0, std=0, add=456, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 458 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 38 CYS SG : rot -29:sc= 0.367 USER MOD Set 1.2: A 39 HIS : no HD1:sc= 0 X(o=0.37,f=0.35) USER MOD Set 2.1: A 12 ASN : amide:sc= 1.07 K(o=2.3,f=0.25) USER MOD Set 2.2: A 33 ASN : amide:sc= 1.19 K(o=2.3,f=0.29) USER MOD Single : A 10 MET CE :methyl -156:sc= -0.211 (180deg=-0.913) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot 9:sc= -0.118 USER MOD Single : A 17 LYS NZ :NH3+ -171:sc= -0.0129 (180deg=-0.131) USER MOD Single : A 18 SER OG : rot 76:sc= 0.35 USER MOD Single : A 22 LYS NZ :NH3+ -167:sc=-0.00217 (180deg=-0.175) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 73:sc= 0.839 USER MOD Single : A 41 GLN : amide:sc= -0.574 K(o=-0.57,f=-0.017) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 MET CE :methyl 163:sc= 0 (180deg=-0.213) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= -0.19 K(o=-0.19,f=-1.5) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 LYS NZ :NH3+ 169:sc= -0.0116 (180deg=-0.139) USER MOD ----------------------------------------------------------------- ATOM 123 N TRP A 9 -10.706 1.182 -2.668 1.00 62.23 N ATOM 124 CA TRP A 9 -9.529 1.335 -1.834 1.00 54.05 C ATOM 125 C TRP A 9 -9.546 0.258 -0.758 1.00 13.21 C ATOM 126 O TRP A 9 -8.546 -0.412 -0.523 1.00 14.44 O ATOM 127 CB TRP A 9 -9.464 2.730 -1.199 1.00 43.50 C ATOM 128 CG TRP A 9 -8.078 3.302 -1.185 1.00 73.42 C ATOM 129 CD1 TRP A 9 -7.656 4.436 -1.820 1.00 60.43 C ATOM 130 CD2 TRP A 9 -6.925 2.761 -0.526 1.00 12.14 C ATOM 131 NE1 TRP A 9 -6.316 4.634 -1.593 1.00 43.03 N ATOM 132 CE2 TRP A 9 -5.845 3.619 -0.802 1.00 20.44 C ATOM 133 CE3 TRP A 9 -6.702 1.635 0.271 1.00 54.31 C ATOM 134 CZ2 TRP A 9 -4.565 3.382 -0.309 1.00 42.43 C ATOM 135 CZ3 TRP A 9 -5.433 1.399 0.758 1.00 24.34 C ATOM 136 CH2 TRP A 9 -4.378 2.269 0.468 1.00 63.22 C ATOM 0 HA TRP A 9 -8.640 1.225 -2.456 1.00 54.05 H new ATOM 0 HB2 TRP A 9 -10.124 3.403 -1.746 1.00 43.50 H new ATOM 0 HB3 TRP A 9 -9.839 2.676 -0.177 1.00 43.50 H new ATOM 0 HD1 TRP A 9 -8.285 5.083 -2.414 1.00 60.43 H new ATOM 0 HE1 TRP A 9 -5.762 5.410 -1.954 1.00 43.03 H new ATOM 0 HE3 TRP A 9 -7.512 0.959 0.502 1.00 54.31 H new ATOM 0 HZ2 TRP A 9 -3.748 4.052 -0.531 1.00 42.43 H new ATOM 0 HZ3 TRP A 9 -5.252 0.529 1.372 1.00 24.34 H new ATOM 0 HH2 TRP A 9 -3.395 2.060 0.864 1.00 63.22 H new ATOM 147 N MET A 10 -10.708 0.069 -0.132 1.00 53.41 N ATOM 148 CA MET A 10 -10.880 -0.984 0.866 1.00 50.24 C ATOM 149 C MET A 10 -10.567 -2.339 0.252 1.00 25.42 C ATOM 150 O MET A 10 -9.925 -3.184 0.877 1.00 5.22 O ATOM 151 CB MET A 10 -12.307 -0.984 1.418 1.00 23.42 C ATOM 152 CG MET A 10 -12.537 -2.013 2.518 1.00 33.04 C ATOM 153 SD MET A 10 -14.193 -1.927 3.223 1.00 35.33 S ATOM 154 CE MET A 10 -14.199 -0.255 3.863 1.00 62.34 C ATOM 0 H MET A 10 -11.542 0.631 -0.299 1.00 53.41 H new ATOM 0 HA MET A 10 -10.191 -0.791 1.688 1.00 50.24 H new ATOM 0 HB2 MET A 10 -12.537 0.008 1.807 1.00 23.42 H new ATOM 0 HB3 MET A 10 -13.003 -1.176 0.602 1.00 23.42 H new ATOM 0 HG2 MET A 10 -12.371 -3.012 2.115 1.00 33.04 H new ATOM 0 HG3 MET A 10 -11.802 -1.862 3.309 1.00 33.04 H new ATOM 0 HE1 MET A 10 -14.930 -0.176 4.668 1.00 62.34 H new ATOM 0 HE2 MET A 10 -13.209 -0.009 4.246 1.00 62.34 H new ATOM 0 HE3 MET A 10 -14.462 0.439 3.065 1.00 62.34 H new ATOM 164 N LYS A 11 -11.020 -2.523 -0.983 1.00 13.10 N ATOM 165 CA LYS A 11 -10.753 -3.739 -1.734 1.00 54.24 C ATOM 166 C LYS A 11 -9.246 -3.955 -1.865 1.00 2.34 C ATOM 167 O LYS A 11 -8.718 -4.996 -1.472 1.00 61.13 O ATOM 168 CB LYS A 11 -11.381 -3.639 -3.127 1.00 33.23 C ATOM 169 CG LYS A 11 -11.251 -4.904 -3.964 1.00 24.15 C ATOM 170 CD LYS A 11 -11.429 -4.616 -5.449 1.00 1.51 C ATOM 171 CE LYS A 11 -12.646 -3.744 -5.712 1.00 41.21 C ATOM 172 NZ LYS A 11 -12.869 -3.516 -7.163 1.00 22.52 N ATOM 0 H LYS A 11 -11.580 -1.836 -1.488 1.00 13.10 H new ATOM 0 HA LYS A 11 -11.189 -4.584 -1.202 1.00 54.24 H new ATOM 0 HB2 LYS A 11 -12.438 -3.395 -3.020 1.00 33.23 H new ATOM 0 HB3 LYS A 11 -10.916 -2.812 -3.664 1.00 33.23 H new ATOM 0 HG2 LYS A 11 -10.273 -5.354 -3.795 1.00 24.15 H new ATOM 0 HG3 LYS A 11 -11.996 -5.632 -3.642 1.00 24.15 H new ATOM 0 HD2 LYS A 11 -10.537 -4.121 -5.833 1.00 1.51 H new ATOM 0 HD3 LYS A 11 -11.531 -5.556 -5.992 1.00 1.51 H new ATOM 0 HE2 LYS A 11 -13.529 -4.215 -5.280 1.00 41.21 H new ATOM 0 HE3 LYS A 11 -12.519 -2.785 -5.210 1.00 41.21 H new ATOM 0 HZ1 LYS A 11 -13.709 -2.917 -7.295 1.00 22.52 H new ATOM 0 HZ2 LYS A 11 -12.038 -3.043 -7.572 1.00 22.52 H new ATOM 0 HZ3 LYS A 11 -13.017 -4.429 -7.639 1.00 22.52 H new ATOM 186 N ASN A 12 -8.569 -2.947 -2.410 1.00 14.42 N ATOM 187 CA ASN A 12 -7.121 -2.988 -2.603 1.00 60.03 C ATOM 188 C ASN A 12 -6.394 -3.185 -1.277 1.00 22.23 C ATOM 189 O ASN A 12 -5.409 -3.917 -1.204 1.00 32.22 O ATOM 190 CB ASN A 12 -6.635 -1.699 -3.276 1.00 10.44 C ATOM 191 CG ASN A 12 -7.118 -1.565 -4.709 1.00 62.10 C ATOM 192 OD1 ASN A 12 -7.324 -2.559 -5.401 1.00 62.31 O ATOM 193 ND2 ASN A 12 -7.306 -0.337 -5.168 1.00 22.11 N ATOM 0 H ASN A 12 -9.006 -2.082 -2.729 1.00 14.42 H new ATOM 0 HA ASN A 12 -6.895 -3.837 -3.249 1.00 60.03 H new ATOM 0 HB2 ASN A 12 -6.980 -0.841 -2.699 1.00 10.44 H new ATOM 0 HB3 ASN A 12 -5.545 -1.675 -3.261 1.00 10.44 H new ATOM 0 HD21 ASN A 12 -7.632 -0.194 -6.124 1.00 22.11 H new ATOM 0 HD22 ASN A 12 -7.125 0.466 -4.566 1.00 22.11 H new ATOM 200 N TYR A 13 -6.890 -2.528 -0.233 1.00 33.14 N ATOM 201 CA TYR A 13 -6.318 -2.649 1.102 1.00 62.00 C ATOM 202 C TYR A 13 -6.357 -4.099 1.580 1.00 13.03 C ATOM 203 O TYR A 13 -5.356 -4.626 2.057 1.00 3.24 O ATOM 204 CB TYR A 13 -7.070 -1.742 2.081 1.00 31.13 C ATOM 205 CG TYR A 13 -6.557 -1.812 3.503 1.00 74.44 C ATOM 206 CD1 TYR A 13 -5.245 -1.467 3.805 1.00 55.35 C ATOM 207 CD2 TYR A 13 -7.387 -2.213 4.541 1.00 50.54 C ATOM 208 CE1 TYR A 13 -4.775 -1.522 5.101 1.00 33.52 C ATOM 209 CE2 TYR A 13 -6.925 -2.271 5.841 1.00 45.41 C ATOM 210 CZ TYR A 13 -5.619 -1.926 6.116 1.00 41.33 C ATOM 211 OH TYR A 13 -5.154 -1.982 7.412 1.00 75.31 O ATOM 0 H TYR A 13 -7.693 -1.902 -0.288 1.00 33.14 H new ATOM 0 HA TYR A 13 -5.275 -2.334 1.061 1.00 62.00 H new ATOM 0 HB2 TYR A 13 -7.002 -0.712 1.731 1.00 31.13 H new ATOM 0 HB3 TYR A 13 -8.126 -2.012 2.073 1.00 31.13 H new ATOM 0 HD1 TYR A 13 -4.583 -1.151 3.013 1.00 55.35 H new ATOM 0 HD2 TYR A 13 -8.411 -2.484 4.328 1.00 50.54 H new ATOM 0 HE1 TYR A 13 -3.753 -1.251 5.320 1.00 33.52 H new ATOM 0 HE2 TYR A 13 -7.583 -2.585 6.638 1.00 45.41 H new ATOM 0 HH TYR A 13 -4.265 -1.573 7.458 1.00 75.31 H new ATOM 221 N GLU A 14 -7.514 -4.740 1.433 1.00 23.42 N ATOM 222 CA GLU A 14 -7.681 -6.143 1.814 1.00 22.14 C ATOM 223 C GLU A 14 -6.804 -7.053 0.959 1.00 20.31 C ATOM 224 O GLU A 14 -6.194 -8.003 1.464 1.00 51.31 O ATOM 225 CB GLU A 14 -9.148 -6.553 1.678 1.00 61.12 C ATOM 226 CG GLU A 14 -10.042 -5.977 2.759 1.00 61.22 C ATOM 227 CD GLU A 14 -9.774 -6.592 4.116 1.00 10.34 C ATOM 228 OE1 GLU A 14 -10.274 -7.708 4.369 1.00 2.41 O ATOM 229 OE2 GLU A 14 -9.071 -5.970 4.936 1.00 32.55 O ATOM 0 H GLU A 14 -8.355 -4.308 1.051 1.00 23.42 H new ATOM 0 HA GLU A 14 -7.372 -6.251 2.854 1.00 22.14 H new ATOM 0 HB2 GLU A 14 -9.517 -6.233 0.704 1.00 61.12 H new ATOM 0 HB3 GLU A 14 -9.216 -7.641 1.703 1.00 61.12 H new ATOM 0 HG2 GLU A 14 -9.891 -4.899 2.815 1.00 61.22 H new ATOM 0 HG3 GLU A 14 -11.085 -6.139 2.489 1.00 61.22 H new ATOM 236 N GLU A 15 -6.736 -6.757 -0.332 1.00 43.33 N ATOM 237 CA GLU A 15 -5.899 -7.517 -1.249 1.00 63.44 C ATOM 238 C GLU A 15 -4.425 -7.400 -0.868 1.00 60.33 C ATOM 239 O GLU A 15 -3.653 -8.343 -1.034 1.00 50.14 O ATOM 240 CB GLU A 15 -6.108 -7.037 -2.687 1.00 23.14 C ATOM 241 CG GLU A 15 -7.457 -7.426 -3.271 1.00 52.31 C ATOM 242 CD GLU A 15 -7.621 -8.926 -3.399 1.00 43.54 C ATOM 243 OE1 GLU A 15 -7.242 -9.479 -4.455 1.00 52.42 O ATOM 244 OE2 GLU A 15 -8.133 -9.560 -2.455 1.00 24.21 O ATOM 0 H GLU A 15 -7.252 -5.993 -0.768 1.00 43.33 H new ATOM 0 HA GLU A 15 -6.191 -8.565 -1.180 1.00 63.44 H new ATOM 0 HB2 GLU A 15 -6.008 -5.952 -2.717 1.00 23.14 H new ATOM 0 HB3 GLU A 15 -5.318 -7.447 -3.316 1.00 23.14 H new ATOM 0 HG2 GLU A 15 -8.251 -7.029 -2.639 1.00 52.31 H new ATOM 0 HG3 GLU A 15 -7.571 -6.966 -4.253 1.00 52.31 H new ATOM 251 N LEU A 16 -4.047 -6.250 -0.325 1.00 4.21 N ATOM 252 CA LEU A 16 -2.664 -6.000 0.043 1.00 64.22 C ATOM 253 C LEU A 16 -2.416 -6.567 1.426 1.00 44.14 C ATOM 254 O LEU A 16 -1.338 -7.068 1.731 1.00 71.32 O ATOM 255 CB LEU A 16 -2.367 -4.501 0.014 1.00 40.14 C ATOM 256 CG LEU A 16 -0.972 -4.122 -0.485 1.00 65.13 C ATOM 257 CD1 LEU A 16 -0.863 -2.622 -0.635 1.00 30.13 C ATOM 258 CD2 LEU A 16 0.109 -4.633 0.452 1.00 63.04 C ATOM 0 H LEU A 16 -4.682 -5.476 -0.130 1.00 4.21 H new ATOM 0 HA LEU A 16 -2.000 -6.485 -0.673 1.00 64.22 H new ATOM 0 HB2 LEU A 16 -3.107 -4.013 -0.620 1.00 40.14 H new ATOM 0 HB3 LEU A 16 -2.496 -4.102 1.020 1.00 40.14 H new ATOM 0 HG LEU A 16 -0.824 -4.592 -1.457 1.00 65.13 H new ATOM 0 HD11 LEU A 16 0.134 -2.363 -0.991 1.00 30.13 H new ATOM 0 HD12 LEU A 16 -1.606 -2.273 -1.352 1.00 30.13 H new ATOM 0 HD13 LEU A 16 -1.039 -2.146 0.330 1.00 30.13 H new ATOM 0 HD21 LEU A 16 1.088 -4.347 0.068 1.00 63.04 H new ATOM 0 HD22 LEU A 16 -0.033 -4.200 1.442 1.00 63.04 H new ATOM 0 HD23 LEU A 16 0.049 -5.719 0.519 1.00 63.04 H new ATOM 270 N LYS A 17 -3.439 -6.490 2.252 1.00 70.43 N ATOM 271 CA LYS A 17 -3.441 -7.129 3.552 1.00 52.44 C ATOM 272 C LYS A 17 -3.152 -8.616 3.388 1.00 25.45 C ATOM 273 O LYS A 17 -2.436 -9.221 4.187 1.00 42.11 O ATOM 274 CB LYS A 17 -4.806 -6.881 4.206 1.00 14.20 C ATOM 275 CG LYS A 17 -5.002 -7.509 5.572 1.00 33.11 C ATOM 276 CD LYS A 17 -5.571 -8.915 5.471 1.00 31.35 C ATOM 277 CE LYS A 17 -5.853 -9.511 6.842 1.00 62.50 C ATOM 278 NZ LYS A 17 -4.634 -9.579 7.690 1.00 54.24 N ATOM 0 H LYS A 17 -4.296 -5.980 2.040 1.00 70.43 H new ATOM 0 HA LYS A 17 -2.665 -6.714 4.195 1.00 52.44 H new ATOM 0 HB2 LYS A 17 -4.956 -5.805 4.296 1.00 14.20 H new ATOM 0 HB3 LYS A 17 -5.582 -7.256 3.539 1.00 14.20 H new ATOM 0 HG2 LYS A 17 -4.048 -7.540 6.098 1.00 33.11 H new ATOM 0 HG3 LYS A 17 -5.673 -6.887 6.165 1.00 33.11 H new ATOM 0 HD2 LYS A 17 -6.492 -8.893 4.888 1.00 31.35 H new ATOM 0 HD3 LYS A 17 -4.869 -9.553 4.935 1.00 31.35 H new ATOM 0 HE2 LYS A 17 -6.611 -8.912 7.347 1.00 62.50 H new ATOM 0 HE3 LYS A 17 -6.266 -10.513 6.722 1.00 62.50 H new ATOM 0 HZ1 LYS A 17 -4.839 -10.127 8.550 1.00 54.24 H new ATOM 0 HZ2 LYS A 17 -3.868 -10.041 7.160 1.00 54.24 H new ATOM 0 HZ3 LYS A 17 -4.341 -8.617 7.954 1.00 54.24 H new ATOM 292 N SER A 18 -3.685 -9.183 2.319 1.00 14.31 N ATOM 293 CA SER A 18 -3.437 -10.570 1.984 1.00 73.13 C ATOM 294 C SER A 18 -2.110 -10.724 1.241 1.00 32.35 C ATOM 295 O SER A 18 -1.462 -11.765 1.327 1.00 23.11 O ATOM 296 CB SER A 18 -4.592 -11.106 1.143 1.00 42.04 C ATOM 297 OG SER A 18 -5.821 -10.984 1.843 1.00 13.40 O ATOM 0 H SER A 18 -4.298 -8.696 1.664 1.00 14.31 H new ATOM 0 HA SER A 18 -3.368 -11.148 2.905 1.00 73.13 H new ATOM 0 HB2 SER A 18 -4.648 -10.559 0.202 1.00 42.04 H new ATOM 0 HB3 SER A 18 -4.412 -12.152 0.893 1.00 42.04 H new ATOM 0 HG SER A 18 -6.114 -10.049 1.830 1.00 13.40 H new ATOM 303 N PHE A 19 -1.696 -9.674 0.534 1.00 63.11 N ATOM 304 CA PHE A 19 -0.476 -9.720 -0.268 1.00 73.13 C ATOM 305 C PHE A 19 0.763 -9.638 0.622 1.00 22.24 C ATOM 306 O PHE A 19 1.785 -10.268 0.342 1.00 5.22 O ATOM 307 CB PHE A 19 -0.460 -8.592 -1.303 1.00 2.12 C ATOM 308 CG PHE A 19 0.504 -8.834 -2.431 1.00 43.21 C ATOM 309 CD1 PHE A 19 1.827 -8.438 -2.331 1.00 12.44 C ATOM 310 CD2 PHE A 19 0.082 -9.466 -3.592 1.00 55.15 C ATOM 311 CE1 PHE A 19 2.712 -8.669 -3.365 1.00 50.15 C ATOM 312 CE2 PHE A 19 0.964 -9.699 -4.630 1.00 3.41 C ATOM 313 CZ PHE A 19 2.281 -9.300 -4.517 1.00 75.50 C ATOM 0 H PHE A 19 -2.188 -8.781 0.501 1.00 63.11 H new ATOM 0 HA PHE A 19 -0.460 -10.673 -0.796 1.00 73.13 H new ATOM 0 HB2 PHE A 19 -1.463 -8.469 -1.712 1.00 2.12 H new ATOM 0 HB3 PHE A 19 -0.201 -7.657 -0.807 1.00 2.12 H new ATOM 0 HD1 PHE A 19 2.170 -7.943 -1.435 1.00 12.44 H new ATOM 0 HD2 PHE A 19 -0.947 -9.779 -3.685 1.00 55.15 H new ATOM 0 HE1 PHE A 19 3.742 -8.357 -3.274 1.00 50.15 H new ATOM 0 HE2 PHE A 19 0.624 -10.192 -5.528 1.00 3.41 H new ATOM 0 HZ PHE A 19 2.973 -9.480 -5.327 1.00 75.50 H new ATOM 323 N VAL A 20 0.674 -8.854 1.692 1.00 64.40 N ATOM 324 CA VAL A 20 1.739 -8.807 2.688 1.00 32.15 C ATOM 325 C VAL A 20 1.987 -10.200 3.264 1.00 44.35 C ATOM 326 O VAL A 20 3.126 -10.590 3.510 1.00 71.33 O ATOM 327 CB VAL A 20 1.409 -7.824 3.835 1.00 73.21 C ATOM 328 CG1 VAL A 20 2.420 -7.945 4.966 1.00 51.21 C ATOM 329 CG2 VAL A 20 1.367 -6.397 3.321 1.00 21.23 C ATOM 0 H VAL A 20 -0.120 -8.246 1.891 1.00 64.40 H new ATOM 0 HA VAL A 20 2.639 -8.452 2.186 1.00 32.15 H new ATOM 0 HB VAL A 20 0.425 -8.085 4.225 1.00 73.21 H new ATOM 0 HG11 VAL A 20 2.164 -7.243 5.759 1.00 51.21 H new ATOM 0 HG12 VAL A 20 2.404 -8.961 5.361 1.00 51.21 H new ATOM 0 HG13 VAL A 20 3.417 -7.719 4.588 1.00 51.21 H new ATOM 0 HG21 VAL A 20 1.133 -5.721 4.143 1.00 21.23 H new ATOM 0 HG22 VAL A 20 2.337 -6.134 2.899 1.00 21.23 H new ATOM 0 HG23 VAL A 20 0.601 -6.310 2.551 1.00 21.23 H new ATOM 339 N ARG A 21 0.918 -10.954 3.458 1.00 74.21 N ATOM 340 CA ARG A 21 1.040 -12.331 3.925 1.00 44.42 C ATOM 341 C ARG A 21 1.503 -13.236 2.773 1.00 13.20 C ATOM 342 O ARG A 21 2.131 -14.270 2.988 1.00 21.35 O ATOM 343 CB ARG A 21 -0.306 -12.799 4.504 1.00 63.01 C ATOM 344 CG ARG A 21 -0.216 -14.019 5.416 1.00 43.53 C ATOM 345 CD ARG A 21 -0.183 -15.322 4.635 1.00 54.21 C ATOM 346 NE ARG A 21 0.065 -16.474 5.500 1.00 51.25 N ATOM 347 CZ ARG A 21 -0.143 -17.736 5.135 1.00 45.45 C ATOM 348 NH1 ARG A 21 -0.673 -18.008 3.948 1.00 62.30 N ATOM 349 NH2 ARG A 21 0.171 -18.724 5.961 1.00 54.23 N ATOM 0 H ARG A 21 -0.040 -10.641 3.301 1.00 74.21 H new ATOM 0 HA ARG A 21 1.789 -12.388 4.715 1.00 44.42 H new ATOM 0 HB2 ARG A 21 -0.752 -11.976 5.063 1.00 63.01 H new ATOM 0 HB3 ARG A 21 -0.981 -13.027 3.680 1.00 63.01 H new ATOM 0 HG2 ARG A 21 0.680 -13.944 6.032 1.00 43.53 H new ATOM 0 HG3 ARG A 21 -1.069 -14.026 6.095 1.00 43.53 H new ATOM 0 HD2 ARG A 21 -1.131 -15.457 4.115 1.00 54.21 H new ATOM 0 HD3 ARG A 21 0.594 -15.268 3.872 1.00 54.21 H new ATOM 0 HE ARG A 21 0.419 -16.299 6.441 1.00 51.25 H new ATOM 0 HH11 ARG A 21 -0.921 -17.248 3.314 1.00 62.30 H new ATOM 0 HH12 ARG A 21 -0.832 -18.977 3.670 1.00 62.30 H new ATOM 0 HH21 ARG A 21 0.572 -18.516 6.876 1.00 54.23 H new ATOM 0 HH22 ARG A 21 0.012 -19.692 5.682 1.00 54.23 H new ATOM 363 N LYS A 22 1.220 -12.804 1.551 1.00 75.50 N ATOM 364 CA LYS A 22 1.524 -13.579 0.352 1.00 3.50 C ATOM 365 C LYS A 22 3.029 -13.613 0.073 1.00 22.20 C ATOM 366 O LYS A 22 3.632 -14.685 0.056 1.00 1.33 O ATOM 367 CB LYS A 22 0.768 -12.985 -0.845 1.00 53.43 C ATOM 368 CG LYS A 22 0.980 -13.717 -2.162 1.00 4.42 C ATOM 369 CD LYS A 22 0.438 -15.137 -2.116 1.00 42.32 C ATOM 370 CE LYS A 22 0.577 -15.832 -3.463 1.00 12.23 C ATOM 371 NZ LYS A 22 -0.275 -15.198 -4.508 1.00 64.30 N ATOM 0 H LYS A 22 0.773 -11.907 1.362 1.00 75.50 H new ATOM 0 HA LYS A 22 1.200 -14.607 0.513 1.00 3.50 H new ATOM 0 HB2 LYS A 22 -0.298 -12.979 -0.617 1.00 53.43 H new ATOM 0 HB3 LYS A 22 1.073 -11.946 -0.970 1.00 53.43 H new ATOM 0 HG2 LYS A 22 0.490 -13.167 -2.966 1.00 4.42 H new ATOM 0 HG3 LYS A 22 2.044 -13.742 -2.396 1.00 4.42 H new ATOM 0 HD2 LYS A 22 0.971 -15.707 -1.355 1.00 42.32 H new ATOM 0 HD3 LYS A 22 -0.611 -15.117 -1.822 1.00 42.32 H new ATOM 0 HE2 LYS A 22 1.620 -15.804 -3.779 1.00 12.23 H new ATOM 0 HE3 LYS A 22 0.303 -16.882 -3.359 1.00 12.23 H new ATOM 0 HZ1 LYS A 22 -0.325 -15.820 -5.340 1.00 64.30 H new ATOM 0 HZ2 LYS A 22 -1.232 -15.047 -4.131 1.00 64.30 H new ATOM 0 HZ3 LYS A 22 0.137 -14.284 -4.784 1.00 64.30 H new ATOM 385 N TYR A 23 3.637 -12.447 -0.139 1.00 63.22 N ATOM 386 CA TYR A 23 5.064 -12.384 -0.467 1.00 35.21 C ATOM 387 C TYR A 23 5.830 -11.459 0.471 1.00 41.25 C ATOM 388 O TYR A 23 7.033 -11.256 0.291 1.00 55.11 O ATOM 389 CB TYR A 23 5.275 -11.906 -1.908 1.00 33.23 C ATOM 390 CG TYR A 23 4.913 -12.925 -2.963 1.00 22.12 C ATOM 391 CD1 TYR A 23 5.670 -14.075 -3.132 1.00 10.21 C ATOM 392 CD2 TYR A 23 3.818 -12.730 -3.795 1.00 61.22 C ATOM 393 CE1 TYR A 23 5.349 -15.004 -4.104 1.00 30.20 C ATOM 394 CE2 TYR A 23 3.488 -13.656 -4.767 1.00 23.30 C ATOM 395 CZ TYR A 23 4.256 -14.791 -4.916 1.00 2.35 C ATOM 396 OH TYR A 23 3.933 -15.714 -5.888 1.00 44.41 O ATOM 0 H TYR A 23 3.171 -11.541 -0.091 1.00 63.22 H new ATOM 0 HA TYR A 23 5.450 -13.397 -0.350 1.00 35.21 H new ATOM 0 HB2 TYR A 23 4.681 -11.007 -2.070 1.00 33.23 H new ATOM 0 HB3 TYR A 23 6.320 -11.625 -2.035 1.00 33.23 H new ATOM 0 HD1 TYR A 23 6.524 -14.247 -2.494 1.00 10.21 H new ATOM 0 HD2 TYR A 23 3.215 -11.841 -3.681 1.00 61.22 H new ATOM 0 HE1 TYR A 23 5.951 -15.892 -4.226 1.00 30.20 H new ATOM 0 HE2 TYR A 23 2.633 -13.491 -5.406 1.00 23.30 H new ATOM 0 HH TYR A 23 3.135 -15.414 -6.372 1.00 44.41 H new ATOM 406 N ARG A 24 5.140 -10.920 1.475 1.00 74.21 N ATOM 407 CA ARG A 24 5.712 -9.904 2.363 1.00 24.24 C ATOM 408 C ARG A 24 6.099 -8.658 1.580 1.00 70.24 C ATOM 409 O ARG A 24 7.209 -8.565 1.045 1.00 71.03 O ATOM 410 CB ARG A 24 6.924 -10.430 3.139 1.00 33.55 C ATOM 411 CG ARG A 24 6.571 -11.132 4.438 1.00 34.41 C ATOM 412 CD ARG A 24 5.761 -10.224 5.351 1.00 31.23 C ATOM 413 NE ARG A 24 5.813 -10.646 6.748 1.00 43.24 N ATOM 414 CZ ARG A 24 5.081 -11.631 7.264 1.00 32.12 C ATOM 415 NH1 ARG A 24 4.226 -12.301 6.500 1.00 52.40 N ATOM 416 NH2 ARG A 24 5.200 -11.937 8.550 1.00 2.05 N ATOM 0 H ARG A 24 4.177 -11.171 1.696 1.00 74.21 H new ATOM 0 HA ARG A 24 4.939 -9.647 3.087 1.00 24.24 H new ATOM 0 HB2 ARG A 24 7.477 -11.122 2.503 1.00 33.55 H new ATOM 0 HB3 ARG A 24 7.591 -9.596 3.359 1.00 33.55 H new ATOM 0 HG2 ARG A 24 6.002 -12.037 4.223 1.00 34.41 H new ATOM 0 HG3 ARG A 24 7.484 -11.443 4.946 1.00 34.41 H new ATOM 0 HD2 ARG A 24 6.136 -9.204 5.269 1.00 31.23 H new ATOM 0 HD3 ARG A 24 4.723 -10.210 5.017 1.00 31.23 H new ATOM 0 HE ARG A 24 6.453 -10.153 7.370 1.00 43.24 H new ATOM 0 HH11 ARG A 24 4.128 -12.062 5.513 1.00 52.40 H new ATOM 0 HH12 ARG A 24 3.667 -13.055 6.900 1.00 52.40 H new ATOM 0 HH21 ARG A 24 5.851 -11.418 9.140 1.00 2.05 H new ATOM 0 HH22 ARG A 24 4.641 -12.691 8.949 1.00 2.05 H new ATOM 430 N ARG A 25 5.178 -7.695 1.537 1.00 34.21 N ATOM 431 CA ARG A 25 5.335 -6.500 0.732 1.00 44.34 C ATOM 432 C ARG A 25 5.509 -6.882 -0.741 1.00 2.31 C ATOM 433 O ARG A 25 5.280 -8.030 -1.128 1.00 55.43 O ATOM 434 CB ARG A 25 6.539 -5.712 1.239 1.00 60.50 C ATOM 435 CG ARG A 25 6.645 -4.309 0.696 1.00 74.35 C ATOM 436 CD ARG A 25 8.066 -3.829 0.774 1.00 14.21 C ATOM 437 NE ARG A 25 8.224 -2.493 0.211 1.00 11.41 N ATOM 438 CZ ARG A 25 9.395 -1.891 0.032 1.00 35.10 C ATOM 439 NH1 ARG A 25 10.528 -2.528 0.304 1.00 34.01 N ATOM 440 NH2 ARG A 25 9.427 -0.661 -0.454 1.00 11.52 N ATOM 0 H ARG A 25 4.304 -7.729 2.062 1.00 34.21 H new ATOM 0 HA ARG A 25 4.445 -5.876 0.815 1.00 44.34 H new ATOM 0 HB2 ARG A 25 6.493 -5.664 2.327 1.00 60.50 H new ATOM 0 HB3 ARG A 25 7.448 -6.257 0.982 1.00 60.50 H new ATOM 0 HG2 ARG A 25 6.301 -4.285 -0.338 1.00 74.35 H new ATOM 0 HG3 ARG A 25 5.996 -3.642 1.263 1.00 74.35 H new ATOM 0 HD2 ARG A 25 8.390 -3.824 1.815 1.00 14.21 H new ATOM 0 HD3 ARG A 25 8.714 -4.526 0.241 1.00 14.21 H new ATOM 0 HE ARG A 25 7.381 -1.988 -0.063 1.00 11.41 H new ATOM 0 HH11 ARG A 25 10.503 -3.486 0.653 1.00 34.01 H new ATOM 0 HH12 ARG A 25 11.423 -2.059 0.164 1.00 34.01 H new ATOM 0 HH21 ARG A 25 8.557 -0.182 -0.688 1.00 11.52 H new ATOM 0 HH22 ARG A 25 10.321 -0.191 -0.595 1.00 11.52 H new ATOM 454 N PHE A 26 5.873 -5.920 -1.564 1.00 4.11 N ATOM 455 CA PHE A 26 6.257 -6.198 -2.926 1.00 10.34 C ATOM 456 C PHE A 26 7.426 -5.313 -3.335 1.00 61.53 C ATOM 457 O PHE A 26 7.484 -4.137 -2.970 1.00 34.12 O ATOM 458 CB PHE A 26 5.068 -5.990 -3.877 1.00 4.40 C ATOM 459 CG PHE A 26 4.146 -4.863 -3.482 1.00 22.32 C ATOM 460 CD1 PHE A 26 4.588 -3.550 -3.455 1.00 54.54 C ATOM 461 CD2 PHE A 26 2.831 -5.128 -3.131 1.00 2.50 C ATOM 462 CE1 PHE A 26 3.737 -2.526 -3.085 1.00 42.00 C ATOM 463 CE2 PHE A 26 1.977 -4.109 -2.763 1.00 51.25 C ATOM 464 CZ PHE A 26 2.430 -2.805 -2.739 1.00 71.33 C ATOM 0 H PHE A 26 5.910 -4.933 -1.308 1.00 4.11 H new ATOM 0 HA PHE A 26 6.569 -7.240 -2.991 1.00 10.34 H new ATOM 0 HB2 PHE A 26 5.449 -5.797 -4.880 1.00 4.40 H new ATOM 0 HB3 PHE A 26 4.492 -6.914 -3.927 1.00 4.40 H new ATOM 0 HD1 PHE A 26 5.609 -3.324 -3.726 1.00 54.54 H new ATOM 0 HD2 PHE A 26 2.470 -6.146 -3.146 1.00 2.50 H new ATOM 0 HE1 PHE A 26 4.095 -1.507 -3.067 1.00 42.00 H new ATOM 0 HE2 PHE A 26 0.955 -4.331 -2.494 1.00 51.25 H new ATOM 0 HZ PHE A 26 1.764 -2.005 -2.450 1.00 71.33 H new ATOM 557 N ASN A 33 -4.498 -6.223 -8.793 1.00 1.45 N ATOM 558 CA ASN A 33 -4.566 -4.790 -8.530 1.00 52.44 C ATOM 559 C ASN A 33 -3.270 -4.280 -7.920 1.00 5.51 C ATOM 560 O ASN A 33 -2.833 -3.164 -8.207 1.00 22.42 O ATOM 561 CB ASN A 33 -5.732 -4.468 -7.585 1.00 64.21 C ATOM 562 CG ASN A 33 -7.096 -4.560 -8.248 1.00 53.20 C ATOM 563 OD1 ASN A 33 -7.308 -5.346 -9.169 1.00 41.14 O ATOM 564 ND2 ASN A 33 -8.038 -3.763 -7.768 1.00 74.14 N ATOM 0 HA ASN A 33 -4.725 -4.290 -9.486 1.00 52.44 H new ATOM 0 HB2 ASN A 33 -5.702 -5.153 -6.738 1.00 64.21 H new ATOM 0 HB3 ASN A 33 -5.598 -3.462 -7.186 1.00 64.21 H new ATOM 0 HD21 ASN A 33 -8.978 -3.788 -8.164 1.00 74.14 H new ATOM 0 HD22 ASN A 33 -7.824 -3.124 -7.003 1.00 74.14 H new ATOM 571 N LEU A 34 -2.648 -5.109 -7.091 1.00 74.45 N ATOM 572 CA LEU A 34 -1.438 -4.715 -6.382 1.00 2.03 C ATOM 573 C LEU A 34 -0.300 -4.449 -7.351 1.00 23.31 C ATOM 574 O LEU A 34 0.602 -3.660 -7.058 1.00 31.34 O ATOM 575 CB LEU A 34 -1.005 -5.781 -5.376 1.00 14.31 C ATOM 576 CG LEU A 34 -1.953 -6.017 -4.194 1.00 63.12 C ATOM 577 CD1 LEU A 34 -2.439 -4.695 -3.620 1.00 62.15 C ATOM 578 CD2 LEU A 34 -3.127 -6.893 -4.600 1.00 72.34 C ATOM 0 H LEU A 34 -2.962 -6.059 -6.893 1.00 74.45 H new ATOM 0 HA LEU A 34 -1.672 -3.798 -5.842 1.00 2.03 H new ATOM 0 HB2 LEU A 34 -0.879 -6.724 -5.908 1.00 14.31 H new ATOM 0 HB3 LEU A 34 -0.027 -5.504 -4.982 1.00 14.31 H new ATOM 0 HG LEU A 34 -1.396 -6.542 -3.418 1.00 63.12 H new ATOM 0 HD11 LEU A 34 -3.110 -4.887 -2.783 1.00 62.15 H new ATOM 0 HD12 LEU A 34 -1.585 -4.112 -3.275 1.00 62.15 H new ATOM 0 HD13 LEU A 34 -2.971 -4.137 -4.391 1.00 62.15 H new ATOM 0 HD21 LEU A 34 -3.782 -7.044 -3.742 1.00 72.34 H new ATOM 0 HD22 LEU A 34 -3.684 -6.407 -5.401 1.00 72.34 H new ATOM 0 HD23 LEU A 34 -2.758 -7.858 -4.948 1.00 72.34 H new ATOM 590 N GLY A 35 -0.335 -5.126 -8.492 1.00 74.42 N ATOM 591 CA GLY A 35 0.640 -4.872 -9.535 1.00 21.14 C ATOM 592 C GLY A 35 0.662 -3.415 -9.951 1.00 70.33 C ATOM 593 O GLY A 35 1.723 -2.819 -10.101 1.00 3.12 O ATOM 0 H GLY A 35 -1.022 -5.847 -8.714 1.00 74.42 H new ATOM 0 HA2 GLY A 35 1.630 -5.164 -9.184 1.00 21.14 H new ATOM 0 HA3 GLY A 35 0.413 -5.493 -10.402 1.00 21.14 H new ATOM 597 N GLY A 36 -0.518 -2.841 -10.132 1.00 51.41 N ATOM 598 CA GLY A 36 -0.612 -1.435 -10.487 1.00 21.42 C ATOM 599 C GLY A 36 -0.523 -0.531 -9.273 1.00 13.04 C ATOM 600 O GLY A 36 -0.077 0.616 -9.369 1.00 65.50 O ATOM 0 H GLY A 36 -1.413 -3.321 -10.040 1.00 51.41 H new ATOM 0 HA2 GLY A 36 0.187 -1.184 -11.184 1.00 21.42 H new ATOM 0 HA3 GLY A 36 -1.555 -1.255 -11.004 1.00 21.42 H new ATOM 604 N TRP A 37 -0.949 -1.058 -8.129 1.00 55.21 N ATOM 605 CA TRP A 37 -0.964 -0.304 -6.882 1.00 72.43 C ATOM 606 C TRP A 37 0.430 0.203 -6.533 1.00 34.01 C ATOM 607 O TRP A 37 0.613 1.390 -6.245 1.00 62.33 O ATOM 608 CB TRP A 37 -1.486 -1.169 -5.740 1.00 64.02 C ATOM 609 CG TRP A 37 -1.978 -0.345 -4.600 1.00 15.01 C ATOM 610 CD1 TRP A 37 -3.221 0.196 -4.478 1.00 50.52 C ATOM 611 CD2 TRP A 37 -1.243 0.054 -3.434 1.00 71.41 C ATOM 612 NE1 TRP A 37 -3.309 0.907 -3.314 1.00 51.31 N ATOM 613 CE2 TRP A 37 -2.110 0.833 -2.649 1.00 53.44 C ATOM 614 CE3 TRP A 37 0.061 -0.170 -2.974 1.00 32.22 C ATOM 615 CZ2 TRP A 37 -1.720 1.388 -1.432 1.00 55.12 C ATOM 616 CZ3 TRP A 37 0.448 0.381 -1.765 1.00 11.02 C ATOM 617 CH2 TRP A 37 -0.441 1.152 -1.006 1.00 33.51 C ATOM 0 H TRP A 37 -1.292 -2.015 -8.041 1.00 55.21 H new ATOM 0 HA TRP A 37 -1.626 0.551 -7.021 1.00 72.43 H new ATOM 0 HB2 TRP A 37 -2.294 -1.803 -6.105 1.00 64.02 H new ATOM 0 HB3 TRP A 37 -0.692 -1.831 -5.394 1.00 64.02 H new ATOM 0 HD1 TRP A 37 -4.020 0.080 -5.195 1.00 50.52 H new ATOM 0 HE1 TRP A 37 -4.134 1.412 -2.991 1.00 51.31 H new ATOM 0 HE3 TRP A 37 0.753 -0.763 -3.553 1.00 32.22 H new ATOM 0 HZ2 TRP A 37 -2.403 1.984 -0.845 1.00 55.12 H new ATOM 0 HZ3 TRP A 37 1.451 0.214 -1.401 1.00 11.02 H new ATOM 0 HH2 TRP A 37 -0.111 1.569 -0.066 1.00 33.51 H new ATOM 628 N CYS A 38 1.407 -0.700 -6.556 1.00 43.32 N ATOM 629 CA CYS A 38 2.786 -0.342 -6.237 1.00 14.44 C ATOM 630 C CYS A 38 3.303 0.724 -7.196 1.00 43.11 C ATOM 631 O CYS A 38 3.974 1.669 -6.785 1.00 4.34 O ATOM 632 CB CYS A 38 3.692 -1.575 -6.281 1.00 61.41 C ATOM 633 SG CYS A 38 3.740 -2.420 -7.877 1.00 55.31 S ATOM 0 H CYS A 38 1.270 -1.683 -6.792 1.00 43.32 H new ATOM 0 HA CYS A 38 2.802 0.064 -5.225 1.00 14.44 H new ATOM 0 HB2 CYS A 38 4.705 -1.274 -6.014 1.00 61.41 H new ATOM 0 HB3 CYS A 38 3.358 -2.282 -5.521 1.00 61.41 H new ATOM 0 HG CYS A 38 2.610 -2.244 -8.495 1.00 55.31 H new ATOM 639 N HIS A 39 2.960 0.569 -8.469 1.00 43.41 N ATOM 640 CA HIS A 39 3.369 1.509 -9.507 1.00 65.02 C ATOM 641 C HIS A 39 2.861 2.912 -9.195 1.00 73.53 C ATOM 642 O HIS A 39 3.608 3.889 -9.265 1.00 14.13 O ATOM 643 CB HIS A 39 2.832 1.063 -10.875 1.00 4.34 C ATOM 644 CG HIS A 39 3.408 -0.227 -11.380 1.00 51.20 C ATOM 645 ND1 HIS A 39 2.806 -0.976 -12.365 1.00 2.32 N ATOM 646 CD2 HIS A 39 4.536 -0.896 -11.037 1.00 25.25 C ATOM 647 CE1 HIS A 39 3.531 -2.049 -12.606 1.00 62.45 C ATOM 648 NE2 HIS A 39 4.586 -2.024 -11.816 1.00 43.25 N ATOM 0 H HIS A 39 2.393 -0.207 -8.810 1.00 43.41 H new ATOM 0 HA HIS A 39 4.458 1.525 -9.536 1.00 65.02 H new ATOM 0 HB2 HIS A 39 1.749 0.962 -10.810 1.00 4.34 H new ATOM 0 HB3 HIS A 39 3.036 1.847 -11.604 1.00 4.34 H new ATOM 0 HD2 HIS A 39 5.258 -0.597 -10.292 1.00 25.25 H new ATOM 0 HE1 HIS A 39 3.300 -2.818 -13.328 1.00 62.45 H new ATOM 0 HE2 HIS A 39 5.322 -2.730 -11.788 1.00 43.25 H new ATOM 657 N THR A 40 1.596 2.995 -8.819 1.00 10.20 N ATOM 658 CA THR A 40 0.944 4.272 -8.588 1.00 1.15 C ATOM 659 C THR A 40 1.376 4.882 -7.253 1.00 14.24 C ATOM 660 O THR A 40 1.610 6.086 -7.156 1.00 41.45 O ATOM 661 CB THR A 40 -0.590 4.105 -8.605 1.00 33.23 C ATOM 662 OG1 THR A 40 -0.987 3.315 -9.738 1.00 13.21 O ATOM 663 CG2 THR A 40 -1.283 5.461 -8.660 1.00 73.21 C ATOM 0 H THR A 40 0.996 2.185 -8.666 1.00 10.20 H new ATOM 0 HA THR A 40 1.244 4.945 -9.391 1.00 1.15 H new ATOM 0 HB THR A 40 -0.887 3.599 -7.687 1.00 33.23 H new ATOM 0 HG1 THR A 40 -0.748 2.377 -9.583 1.00 13.21 H new ATOM 0 HG21 THR A 40 -2.363 5.317 -8.671 1.00 73.21 H new ATOM 0 HG22 THR A 40 -1.004 6.048 -7.785 1.00 73.21 H new ATOM 0 HG23 THR A 40 -0.978 5.989 -9.563 1.00 73.21 H new ATOM 671 N GLN A 41 1.502 4.048 -6.233 1.00 53.24 N ATOM 672 CA GLN A 41 1.805 4.536 -4.899 1.00 23.23 C ATOM 673 C GLN A 41 3.283 4.868 -4.738 1.00 14.34 C ATOM 674 O GLN A 41 3.652 5.657 -3.865 1.00 4.23 O ATOM 675 CB GLN A 41 1.367 3.524 -3.843 1.00 5.33 C ATOM 676 CG GLN A 41 0.194 4.003 -3.002 1.00 1.44 C ATOM 677 CD GLN A 41 -1.074 4.238 -3.805 1.00 44.00 C ATOM 678 OE1 GLN A 41 -1.877 5.108 -3.469 1.00 52.21 O ATOM 679 NE2 GLN A 41 -1.275 3.451 -4.850 1.00 12.41 N ATOM 0 H GLN A 41 1.400 3.036 -6.303 1.00 53.24 H new ATOM 0 HA GLN A 41 1.244 5.459 -4.756 1.00 23.23 H new ATOM 0 HB2 GLN A 41 1.095 2.590 -4.335 1.00 5.33 H new ATOM 0 HB3 GLN A 41 2.210 3.305 -3.187 1.00 5.33 H new ATOM 0 HG2 GLN A 41 -0.009 3.267 -2.224 1.00 1.44 H new ATOM 0 HG3 GLN A 41 0.472 4.929 -2.499 1.00 1.44 H new ATOM 0 HE21 GLN A 41 -0.584 2.742 -5.095 1.00 12.41 H new ATOM 0 HE22 GLN A 41 -2.121 3.554 -5.411 1.00 12.41 H new ATOM 688 N ARG A 42 4.131 4.274 -5.573 1.00 30.13 N ATOM 689 CA ARG A 42 5.557 4.589 -5.547 1.00 31.12 C ATOM 690 C ARG A 42 5.771 6.035 -5.972 1.00 3.53 C ATOM 691 O ARG A 42 6.678 6.708 -5.481 1.00 73.00 O ATOM 692 CB ARG A 42 6.356 3.632 -6.450 1.00 23.41 C ATOM 693 CG ARG A 42 7.870 3.831 -6.381 1.00 34.41 C ATOM 694 CD ARG A 42 8.348 4.900 -7.353 1.00 3.44 C ATOM 695 NE ARG A 42 9.673 5.410 -7.005 1.00 61.35 N ATOM 696 CZ ARG A 42 10.651 5.610 -7.885 1.00 31.11 C ATOM 697 NH1 ARG A 42 10.472 5.307 -9.167 1.00 61.42 N ATOM 698 NH2 ARG A 42 11.805 6.130 -7.482 1.00 54.54 N ATOM 0 H ARG A 42 3.860 3.579 -6.269 1.00 30.13 H new ATOM 0 HA ARG A 42 5.922 4.459 -4.528 1.00 31.12 H new ATOM 0 HB2 ARG A 42 6.122 2.605 -6.171 1.00 23.41 H new ATOM 0 HB3 ARG A 42 6.029 3.764 -7.481 1.00 23.41 H new ATOM 0 HG2 ARG A 42 8.153 4.111 -5.366 1.00 34.41 H new ATOM 0 HG3 ARG A 42 8.370 2.889 -6.603 1.00 34.41 H new ATOM 0 HD2 ARG A 42 8.373 4.487 -8.361 1.00 3.44 H new ATOM 0 HD3 ARG A 42 7.635 5.724 -7.364 1.00 3.44 H new ATOM 0 HE ARG A 42 9.860 5.626 -6.026 1.00 61.35 H new ATOM 0 HH11 ARG A 42 9.582 4.919 -9.480 1.00 61.42 H new ATOM 0 HH12 ARG A 42 11.225 5.462 -9.838 1.00 61.42 H new ATOM 0 HH21 ARG A 42 11.939 6.375 -6.501 1.00 54.54 H new ATOM 0 HH22 ARG A 42 12.557 6.285 -8.154 1.00 54.54 H new ATOM 712 N LYS A 43 4.921 6.509 -6.877 1.00 13.35 N ATOM 713 CA LYS A 43 4.995 7.883 -7.351 1.00 72.43 C ATOM 714 C LYS A 43 4.854 8.842 -6.184 1.00 70.05 C ATOM 715 O LYS A 43 5.690 9.720 -5.982 1.00 20.43 O ATOM 716 CB LYS A 43 3.886 8.162 -8.361 1.00 72.41 C ATOM 717 CG LYS A 43 3.795 7.144 -9.480 1.00 10.42 C ATOM 718 CD LYS A 43 2.779 7.558 -10.528 1.00 23.21 C ATOM 719 CE LYS A 43 1.460 7.999 -9.908 1.00 31.44 C ATOM 720 NZ LYS A 43 0.494 8.463 -10.938 1.00 62.52 N ATOM 0 H LYS A 43 4.172 5.959 -7.297 1.00 13.35 H new ATOM 0 HA LYS A 43 5.962 8.026 -7.832 1.00 72.43 H new ATOM 0 HB2 LYS A 43 2.931 8.195 -7.836 1.00 72.41 H new ATOM 0 HB3 LYS A 43 4.045 9.149 -8.795 1.00 72.41 H new ATOM 0 HG2 LYS A 43 4.773 7.026 -9.947 1.00 10.42 H new ATOM 0 HG3 LYS A 43 3.519 6.173 -9.068 1.00 10.42 H new ATOM 0 HD2 LYS A 43 3.188 8.373 -11.126 1.00 23.21 H new ATOM 0 HD3 LYS A 43 2.599 6.724 -11.206 1.00 23.21 H new ATOM 0 HE2 LYS A 43 1.026 7.170 -9.350 1.00 31.44 H new ATOM 0 HE3 LYS A 43 1.644 8.802 -9.194 1.00 31.44 H new ATOM 0 HZ1 LYS A 43 -0.391 8.755 -10.477 1.00 62.52 H new ATOM 0 HZ2 LYS A 43 0.898 9.270 -11.454 1.00 62.52 H new ATOM 0 HZ3 LYS A 43 0.299 7.689 -11.604 1.00 62.52 H new ATOM 734 N MET A 44 3.793 8.644 -5.411 1.00 2.15 N ATOM 735 CA MET A 44 3.507 9.483 -4.246 1.00 71.40 C ATOM 736 C MET A 44 4.666 9.440 -3.254 1.00 32.12 C ATOM 737 O MET A 44 4.953 10.424 -2.573 1.00 74.04 O ATOM 738 CB MET A 44 2.229 9.012 -3.540 1.00 44.50 C ATOM 739 CG MET A 44 1.130 8.557 -4.482 1.00 23.12 C ATOM 740 SD MET A 44 0.710 9.797 -5.716 1.00 41.13 S ATOM 741 CE MET A 44 -0.418 8.851 -6.731 1.00 31.33 C ATOM 0 H MET A 44 3.109 7.904 -5.569 1.00 2.15 H new ATOM 0 HA MET A 44 3.370 10.505 -4.600 1.00 71.40 H new ATOM 0 HB2 MET A 44 2.480 8.191 -2.869 1.00 44.50 H new ATOM 0 HB3 MET A 44 1.848 9.825 -2.921 1.00 44.50 H new ATOM 0 HG2 MET A 44 1.445 7.643 -4.985 1.00 23.12 H new ATOM 0 HG3 MET A 44 0.240 8.312 -3.903 1.00 23.12 H new ATOM 0 HE1 MET A 44 -1.002 9.528 -7.354 1.00 31.33 H new ATOM 0 HE2 MET A 44 0.148 8.170 -7.367 1.00 31.33 H new ATOM 0 HE3 MET A 44 -1.089 8.277 -6.092 1.00 31.33 H new ATOM 751 N ARG A 45 5.319 8.289 -3.183 1.00 25.34 N ATOM 752 CA ARG A 45 6.447 8.080 -2.277 1.00 43.05 C ATOM 753 C ARG A 45 7.661 8.891 -2.747 1.00 15.25 C ATOM 754 O ARG A 45 8.384 9.476 -1.942 1.00 32.33 O ATOM 755 CB ARG A 45 6.764 6.574 -2.212 1.00 2.35 C ATOM 756 CG ARG A 45 7.769 6.147 -1.145 1.00 32.31 C ATOM 757 CD ARG A 45 9.213 6.316 -1.595 1.00 61.13 C ATOM 758 NE ARG A 45 10.128 5.507 -0.787 1.00 30.11 N ATOM 759 CZ ARG A 45 11.313 5.927 -0.340 1.00 31.35 C ATOM 760 NH1 ARG A 45 11.734 7.155 -0.616 1.00 23.23 N ATOM 761 NH2 ARG A 45 12.075 5.110 0.381 1.00 24.40 N ATOM 0 H ARG A 45 5.085 7.473 -3.749 1.00 25.34 H new ATOM 0 HA ARG A 45 6.191 8.427 -1.276 1.00 43.05 H new ATOM 0 HB2 ARG A 45 5.833 6.034 -2.042 1.00 2.35 H new ATOM 0 HB3 ARG A 45 7.142 6.260 -3.185 1.00 2.35 H new ATOM 0 HG2 ARG A 45 7.604 6.733 -0.241 1.00 32.31 H new ATOM 0 HG3 ARG A 45 7.594 5.103 -0.884 1.00 32.31 H new ATOM 0 HD2 ARG A 45 9.304 6.031 -2.643 1.00 61.13 H new ATOM 0 HD3 ARG A 45 9.496 7.366 -1.524 1.00 61.13 H new ATOM 0 HE ARG A 45 9.840 4.558 -0.550 1.00 30.11 H new ATOM 0 HH11 ARG A 45 11.151 7.781 -1.171 1.00 23.23 H new ATOM 0 HH12 ARG A 45 12.640 7.473 -0.273 1.00 23.23 H new ATOM 0 HH21 ARG A 45 11.753 4.165 0.591 1.00 24.40 H new ATOM 0 HH22 ARG A 45 12.981 5.428 0.724 1.00 24.40 H new ATOM 775 N LYS A 46 7.865 8.921 -4.057 1.00 54.30 N ATOM 776 CA LYS A 46 8.944 9.706 -4.657 1.00 21.35 C ATOM 777 C LYS A 46 8.628 11.200 -4.588 1.00 51.33 C ATOM 778 O LYS A 46 9.459 12.005 -4.162 1.00 4.20 O ATOM 779 CB LYS A 46 9.153 9.259 -6.114 1.00 35.02 C ATOM 780 CG LYS A 46 9.743 10.325 -7.030 1.00 51.54 C ATOM 781 CD LYS A 46 11.144 10.758 -6.621 1.00 55.12 C ATOM 782 CE LYS A 46 11.514 12.060 -7.314 1.00 44.22 C ATOM 783 NZ LYS A 46 12.921 12.463 -7.063 1.00 41.31 N ATOM 0 H LYS A 46 7.296 8.409 -4.731 1.00 54.30 H new ATOM 0 HA LYS A 46 9.864 9.535 -4.097 1.00 21.35 H new ATOM 0 HB2 LYS A 46 9.810 8.389 -6.122 1.00 35.02 H new ATOM 0 HB3 LYS A 46 8.194 8.939 -6.522 1.00 35.02 H new ATOM 0 HG2 LYS A 46 9.771 9.943 -8.050 1.00 51.54 H new ATOM 0 HG3 LYS A 46 9.087 11.196 -7.033 1.00 51.54 H new ATOM 0 HD2 LYS A 46 11.192 10.887 -5.540 1.00 55.12 H new ATOM 0 HD3 LYS A 46 11.863 9.982 -6.882 1.00 55.12 H new ATOM 0 HE2 LYS A 46 11.357 11.953 -8.387 1.00 44.22 H new ATOM 0 HE3 LYS A 46 10.847 12.851 -6.972 1.00 44.22 H new ATOM 0 HZ1 LYS A 46 13.120 13.356 -7.558 1.00 41.31 H new ATOM 0 HZ2 LYS A 46 13.068 12.593 -6.042 1.00 41.31 H new ATOM 0 HZ3 LYS A 46 13.562 11.723 -7.413 1.00 41.31 H new ATOM 797 N GLN A 47 7.420 11.549 -4.996 1.00 53.33 N ATOM 798 CA GLN A 47 6.954 12.930 -4.985 1.00 62.22 C ATOM 799 C GLN A 47 6.885 13.493 -3.566 1.00 15.20 C ATOM 800 O GLN A 47 6.920 14.708 -3.365 1.00 15.41 O ATOM 801 CB GLN A 47 5.581 13.006 -5.653 1.00 73.10 C ATOM 802 CG GLN A 47 5.639 12.910 -7.168 1.00 23.14 C ATOM 803 CD GLN A 47 4.290 12.607 -7.789 1.00 0.02 C ATOM 804 OE1 GLN A 47 3.947 11.449 -8.020 1.00 61.33 O ATOM 805 NE2 GLN A 47 3.511 13.641 -8.056 1.00 61.13 N ATOM 0 H GLN A 47 6.731 10.883 -5.346 1.00 53.33 H new ATOM 0 HA GLN A 47 7.669 13.537 -5.540 1.00 62.22 H new ATOM 0 HB2 GLN A 47 4.954 12.201 -5.269 1.00 73.10 H new ATOM 0 HB3 GLN A 47 5.101 13.944 -5.374 1.00 73.10 H new ATOM 0 HG2 GLN A 47 6.018 13.849 -7.573 1.00 23.14 H new ATOM 0 HG3 GLN A 47 6.347 12.132 -7.451 1.00 23.14 H new ATOM 0 HE21 GLN A 47 3.831 14.587 -7.850 1.00 61.13 H new ATOM 0 HE22 GLN A 47 2.590 13.493 -8.468 1.00 61.13 H new ATOM 814 N GLY A 48 6.793 12.606 -2.586 1.00 64.24 N ATOM 815 CA GLY A 48 6.705 13.036 -1.206 1.00 32.42 C ATOM 816 C GLY A 48 5.322 13.554 -0.874 1.00 41.31 C ATOM 817 O GLY A 48 5.161 14.427 -0.025 1.00 35.33 O ATOM 0 H GLY A 48 6.778 11.595 -2.722 1.00 64.24 H new ATOM 0 HA2 GLY A 48 6.950 12.203 -0.548 1.00 32.42 H new ATOM 0 HA3 GLY A 48 7.442 13.817 -1.019 1.00 32.42 H new ATOM 821 N LYS A 49 4.326 13.012 -1.557 1.00 10.34 N ATOM 822 CA LYS A 49 2.945 13.429 -1.361 1.00 61.32 C ATOM 823 C LYS A 49 2.131 12.300 -0.761 1.00 3.22 C ATOM 824 O LYS A 49 0.916 12.417 -0.596 1.00 63.32 O ATOM 825 CB LYS A 49 2.316 13.872 -2.678 1.00 51.52 C ATOM 826 CG LYS A 49 2.477 12.870 -3.808 1.00 34.52 C ATOM 827 CD LYS A 49 1.605 13.226 -4.999 1.00 52.31 C ATOM 828 CE LYS A 49 0.133 13.001 -4.693 1.00 40.15 C ATOM 829 NZ LYS A 49 -0.737 13.404 -5.825 1.00 43.31 N ATOM 0 H LYS A 49 4.449 12.279 -2.255 1.00 10.34 H new ATOM 0 HA LYS A 49 2.946 14.275 -0.673 1.00 61.32 H new ATOM 0 HB2 LYS A 49 1.254 14.056 -2.518 1.00 51.52 H new ATOM 0 HB3 LYS A 49 2.761 14.820 -2.981 1.00 51.52 H new ATOM 0 HG2 LYS A 49 3.521 12.835 -4.118 1.00 34.52 H new ATOM 0 HG3 LYS A 49 2.217 11.873 -3.451 1.00 34.52 H new ATOM 0 HD2 LYS A 49 1.767 14.269 -5.272 1.00 52.31 H new ATOM 0 HD3 LYS A 49 1.896 12.623 -5.859 1.00 52.31 H new ATOM 0 HE2 LYS A 49 -0.033 11.948 -4.465 1.00 40.15 H new ATOM 0 HE3 LYS A 49 -0.143 13.567 -3.804 1.00 40.15 H new ATOM 0 HZ1 LYS A 49 -1.732 13.234 -5.575 1.00 43.31 H new ATOM 0 HZ2 LYS A 49 -0.598 14.415 -6.027 1.00 43.31 H new ATOM 0 HZ3 LYS A 49 -0.491 12.846 -6.667 1.00 43.31 H new ATOM 843 N LEU A 50 2.805 11.199 -0.469 1.00 12.23 N ATOM 844 CA LEU A 50 2.171 10.082 0.207 1.00 51.10 C ATOM 845 C LEU A 50 1.638 10.546 1.563 1.00 54.20 C ATOM 846 O LEU A 50 2.313 11.295 2.274 1.00 22.34 O ATOM 847 CB LEU A 50 3.204 8.964 0.414 1.00 10.24 C ATOM 848 CG LEU A 50 3.009 7.685 -0.407 1.00 52.42 C ATOM 849 CD1 LEU A 50 4.033 6.640 0.004 1.00 54.11 C ATOM 850 CD2 LEU A 50 1.607 7.130 -0.246 1.00 63.41 C ATOM 0 H LEU A 50 3.791 11.056 -0.690 1.00 12.23 H new ATOM 0 HA LEU A 50 1.345 9.707 -0.397 1.00 51.10 H new ATOM 0 HB2 LEU A 50 4.191 9.367 0.187 1.00 10.24 H new ATOM 0 HB3 LEU A 50 3.205 8.693 1.470 1.00 10.24 H new ATOM 0 HG LEU A 50 3.151 7.937 -1.458 1.00 52.42 H new ATOM 0 HD11 LEU A 50 3.886 5.735 -0.585 1.00 54.11 H new ATOM 0 HD12 LEU A 50 5.037 7.027 -0.169 1.00 54.11 H new ATOM 0 HD13 LEU A 50 3.911 6.408 1.062 1.00 54.11 H new ATOM 0 HD21 LEU A 50 1.504 6.223 -0.842 1.00 63.41 H new ATOM 0 HD22 LEU A 50 1.426 6.897 0.803 1.00 63.41 H new ATOM 0 HD23 LEU A 50 0.882 7.870 -0.584 1.00 63.41 H new ATOM 862 N PRO A 51 0.433 10.112 1.947 1.00 25.32 N ATOM 863 CA PRO A 51 -0.125 10.429 3.249 1.00 2.31 C ATOM 864 C PRO A 51 0.347 9.469 4.329 1.00 64.44 C ATOM 865 O PRO A 51 0.606 8.287 4.073 1.00 44.32 O ATOM 866 CB PRO A 51 -1.627 10.292 3.026 1.00 4.23 C ATOM 867 CG PRO A 51 -1.756 9.259 1.961 1.00 62.43 C ATOM 868 CD PRO A 51 -0.513 9.351 1.115 1.00 42.10 C ATOM 0 HA PRO A 51 0.180 11.416 3.598 1.00 2.31 H new ATOM 0 HB2 PRO A 51 -2.137 9.986 3.939 1.00 4.23 H new ATOM 0 HB3 PRO A 51 -2.070 11.239 2.716 1.00 4.23 H new ATOM 0 HG2 PRO A 51 -1.855 8.265 2.396 1.00 62.43 H new ATOM 0 HG3 PRO A 51 -2.648 9.433 1.359 1.00 62.43 H new ATOM 0 HD2 PRO A 51 -0.123 8.363 0.871 1.00 42.10 H new ATOM 0 HD3 PRO A 51 -0.710 9.858 0.171 1.00 42.10 H new ATOM 876 N ASN A 52 0.436 9.986 5.538 1.00 42.31 N ATOM 877 CA ASN A 52 0.866 9.203 6.685 1.00 75.43 C ATOM 878 C ASN A 52 -0.212 8.203 7.064 1.00 71.43 C ATOM 879 O ASN A 52 0.079 7.141 7.610 1.00 50.43 O ATOM 880 CB ASN A 52 1.185 10.114 7.871 1.00 72.11 C ATOM 881 CG ASN A 52 2.429 10.951 7.643 1.00 34.24 C ATOM 882 OD1 ASN A 52 2.362 12.048 7.084 1.00 64.33 O ATOM 883 ND2 ASN A 52 3.573 10.445 8.078 1.00 1.45 N ATOM 0 H ASN A 52 0.214 10.957 5.755 1.00 42.31 H new ATOM 0 HA ASN A 52 1.773 8.662 6.416 1.00 75.43 H new ATOM 0 HB2 ASN A 52 0.337 10.773 8.057 1.00 72.11 H new ATOM 0 HB3 ASN A 52 1.319 9.506 8.766 1.00 72.11 H new ATOM 0 HD21 ASN A 52 4.441 10.967 7.955 1.00 1.45 H new ATOM 0 HD22 ASN A 52 3.586 9.534 8.536 1.00 1.45 H new ATOM 890 N ASP A 53 -1.457 8.548 6.752 1.00 32.22 N ATOM 891 CA ASP A 53 -2.580 7.646 6.977 1.00 34.44 C ATOM 892 C ASP A 53 -2.397 6.360 6.181 1.00 15.44 C ATOM 893 O ASP A 53 -2.460 5.262 6.732 1.00 32.52 O ATOM 894 CB ASP A 53 -3.902 8.310 6.583 1.00 15.25 C ATOM 895 CG ASP A 53 -4.316 9.418 7.529 1.00 34.30 C ATOM 896 OD1 ASP A 53 -3.854 10.568 7.351 1.00 40.30 O ATOM 897 OD2 ASP A 53 -5.115 9.144 8.453 1.00 34.02 O ATOM 0 H ASP A 53 -1.713 9.446 6.342 1.00 32.22 H new ATOM 0 HA ASP A 53 -2.611 7.409 8.040 1.00 34.44 H new ATOM 0 HB2 ASP A 53 -3.812 8.716 5.575 1.00 15.25 H new ATOM 0 HB3 ASP A 53 -4.687 7.554 6.553 1.00 15.25 H new ATOM 902 N ARG A 54 -2.139 6.505 4.886 1.00 45.00 N ATOM 903 CA ARG A 54 -1.932 5.357 4.012 1.00 12.10 C ATOM 904 C ARG A 54 -0.691 4.588 4.436 1.00 61.12 C ATOM 905 O ARG A 54 -0.656 3.361 4.382 1.00 63.44 O ATOM 906 CB ARG A 54 -1.797 5.819 2.558 1.00 53.40 C ATOM 907 CG ARG A 54 -1.926 4.702 1.528 1.00 34.11 C ATOM 908 CD ARG A 54 -0.598 4.376 0.854 1.00 44.33 C ATOM 909 NE ARG A 54 0.319 3.652 1.733 1.00 14.12 N ATOM 910 CZ ARG A 54 1.548 3.279 1.381 1.00 62.34 C ATOM 911 NH1 ARG A 54 2.015 3.573 0.171 1.00 45.22 N ATOM 912 NH2 ARG A 54 2.304 2.607 2.238 1.00 65.01 N ATOM 0 H ARG A 54 -2.068 7.408 4.418 1.00 45.00 H new ATOM 0 HA ARG A 54 -2.795 4.696 4.092 1.00 12.10 H new ATOM 0 HB2 ARG A 54 -2.559 6.572 2.357 1.00 53.40 H new ATOM 0 HB3 ARG A 54 -0.829 6.303 2.432 1.00 53.40 H new ATOM 0 HG2 ARG A 54 -2.313 3.806 2.014 1.00 34.11 H new ATOM 0 HG3 ARG A 54 -2.653 4.993 0.770 1.00 34.11 H new ATOM 0 HD2 ARG A 54 -0.785 3.780 -0.039 1.00 44.33 H new ATOM 0 HD3 ARG A 54 -0.125 5.302 0.526 1.00 44.33 H new ATOM 0 HE ARG A 54 -0.002 3.418 2.673 1.00 14.12 H new ATOM 0 HH11 ARG A 54 1.431 4.086 -0.490 1.00 45.22 H new ATOM 0 HH12 ARG A 54 2.957 3.286 -0.096 1.00 45.22 H new ATOM 0 HH21 ARG A 54 1.944 2.377 3.164 1.00 65.01 H new ATOM 0 HH22 ARG A 54 3.246 2.320 1.971 1.00 65.01 H new ATOM 926 N ARG A 55 0.335 5.318 4.837 1.00 52.34 N ATOM 927 CA ARG A 55 1.563 4.710 5.316 1.00 53.31 C ATOM 928 C ARG A 55 1.294 3.867 6.564 1.00 61.10 C ATOM 929 O ARG A 55 1.750 2.727 6.658 1.00 11.05 O ATOM 930 CB ARG A 55 2.607 5.804 5.591 1.00 5.30 C ATOM 931 CG ARG A 55 3.949 5.293 6.104 1.00 55.44 C ATOM 932 CD ARG A 55 3.964 5.176 7.617 1.00 34.14 C ATOM 933 NE ARG A 55 5.202 4.583 8.124 1.00 2.33 N ATOM 934 CZ ARG A 55 5.484 4.460 9.424 1.00 53.41 C ATOM 935 NH1 ARG A 55 4.641 4.932 10.335 1.00 4.32 N ATOM 936 NH2 ARG A 55 6.613 3.884 9.812 1.00 14.30 N ATOM 0 H ARG A 55 0.341 6.338 4.840 1.00 52.34 H new ATOM 0 HA ARG A 55 1.958 4.042 4.550 1.00 53.31 H new ATOM 0 HB2 ARG A 55 2.775 6.365 4.672 1.00 5.30 H new ATOM 0 HB3 ARG A 55 2.197 6.502 6.321 1.00 5.30 H new ATOM 0 HG2 ARG A 55 4.161 4.320 5.662 1.00 55.44 H new ATOM 0 HG3 ARG A 55 4.742 5.968 5.783 1.00 55.44 H new ATOM 0 HD2 ARG A 55 3.833 6.165 8.055 1.00 34.14 H new ATOM 0 HD3 ARG A 55 3.117 4.570 7.939 1.00 34.14 H new ATOM 0 HE ARG A 55 5.887 4.245 7.448 1.00 2.33 H new ATOM 0 HH11 ARG A 55 3.777 5.389 10.042 1.00 4.32 H new ATOM 0 HH12 ARG A 55 4.857 4.838 11.327 1.00 4.32 H new ATOM 0 HH21 ARG A 55 7.271 3.532 9.117 1.00 14.30 H new ATOM 0 HH22 ARG A 55 6.824 3.793 10.806 1.00 14.30 H new ATOM 950 N LEU A 56 0.534 4.424 7.500 1.00 64.23 N ATOM 951 CA LEU A 56 0.242 3.749 8.758 1.00 42.03 C ATOM 952 C LEU A 56 -0.661 2.535 8.547 1.00 24.02 C ATOM 953 O LEU A 56 -0.439 1.484 9.145 1.00 2.34 O ATOM 954 CB LEU A 56 -0.413 4.717 9.744 1.00 0.55 C ATOM 955 CG LEU A 56 -0.464 4.234 11.195 1.00 65.44 C ATOM 956 CD1 LEU A 56 0.939 4.046 11.750 1.00 61.13 C ATOM 957 CD2 LEU A 56 -1.245 5.215 12.050 1.00 34.05 C ATOM 0 H LEU A 56 0.107 5.346 7.410 1.00 64.23 H new ATOM 0 HA LEU A 56 1.189 3.400 9.170 1.00 42.03 H new ATOM 0 HB2 LEU A 56 0.127 5.664 9.712 1.00 0.55 H new ATOM 0 HB3 LEU A 56 -1.430 4.918 9.409 1.00 0.55 H new ATOM 0 HG LEU A 56 -0.972 3.270 11.218 1.00 65.44 H new ATOM 0 HD11 LEU A 56 0.879 3.702 12.783 1.00 61.13 H new ATOM 0 HD12 LEU A 56 1.471 3.306 11.152 1.00 61.13 H new ATOM 0 HD13 LEU A 56 1.475 4.995 11.714 1.00 61.13 H new ATOM 0 HD21 LEU A 56 -1.273 4.858 13.080 1.00 34.05 H new ATOM 0 HD22 LEU A 56 -0.762 6.191 12.017 1.00 34.05 H new ATOM 0 HD23 LEU A 56 -2.262 5.301 11.668 1.00 34.05 H new ATOM 969 N LEU A 57 -1.677 2.679 7.699 1.00 22.33 N ATOM 970 CA LEU A 57 -2.590 1.574 7.401 1.00 40.23 C ATOM 971 C LEU A 57 -1.829 0.377 6.839 1.00 3.13 C ATOM 972 O LEU A 57 -2.122 -0.770 7.177 1.00 61.11 O ATOM 973 CB LEU A 57 -3.679 2.014 6.417 1.00 72.44 C ATOM 974 CG LEU A 57 -5.014 2.433 7.049 1.00 33.03 C ATOM 975 CD1 LEU A 57 -4.833 3.611 7.994 1.00 30.31 C ATOM 976 CD2 LEU A 57 -6.030 2.769 5.966 1.00 24.25 C ATOM 0 H LEU A 57 -1.890 3.547 7.207 1.00 22.33 H new ATOM 0 HA LEU A 57 -3.066 1.276 8.335 1.00 40.23 H new ATOM 0 HB2 LEU A 57 -3.297 2.849 5.830 1.00 72.44 H new ATOM 0 HB3 LEU A 57 -3.868 1.196 5.722 1.00 72.44 H new ATOM 0 HG LEU A 57 -5.388 1.592 7.633 1.00 33.03 H new ATOM 0 HD11 LEU A 57 -5.797 3.883 8.425 1.00 30.31 H new ATOM 0 HD12 LEU A 57 -4.144 3.335 8.792 1.00 30.31 H new ATOM 0 HD13 LEU A 57 -4.429 4.460 7.443 1.00 30.31 H new ATOM 0 HD21 LEU A 57 -6.971 3.064 6.429 1.00 24.25 H new ATOM 0 HD22 LEU A 57 -5.653 3.589 5.355 1.00 24.25 H new ATOM 0 HD23 LEU A 57 -6.194 1.894 5.337 1.00 24.25 H new ATOM 988 N LEU A 58 -0.845 0.653 5.994 1.00 30.24 N ATOM 989 CA LEU A 58 -0.006 -0.394 5.431 1.00 52.45 C ATOM 990 C LEU A 58 0.921 -0.972 6.492 1.00 11.22 C ATOM 991 O LEU A 58 1.092 -2.185 6.597 1.00 74.45 O ATOM 992 CB LEU A 58 0.810 0.150 4.254 1.00 31.45 C ATOM 993 CG LEU A 58 0.153 0.023 2.875 1.00 1.13 C ATOM 994 CD1 LEU A 58 -0.007 -1.439 2.508 1.00 2.42 C ATOM 995 CD2 LEU A 58 -1.194 0.732 2.831 1.00 41.22 C ATOM 0 H LEU A 58 -0.609 1.595 5.683 1.00 30.24 H new ATOM 0 HA LEU A 58 -0.654 -1.192 5.069 1.00 52.45 H new ATOM 0 HB2 LEU A 58 1.023 1.203 4.439 1.00 31.45 H new ATOM 0 HB3 LEU A 58 1.768 -0.369 4.229 1.00 31.45 H new ATOM 0 HG LEU A 58 0.804 0.505 2.146 1.00 1.13 H new ATOM 0 HD11 LEU A 58 -0.475 -1.519 1.527 1.00 2.42 H new ATOM 0 HD12 LEU A 58 0.972 -1.917 2.483 1.00 2.42 H new ATOM 0 HD13 LEU A 58 -0.634 -1.934 3.250 1.00 2.42 H new ATOM 0 HD21 LEU A 58 -1.631 0.621 1.839 1.00 41.22 H new ATOM 0 HD22 LEU A 58 -1.861 0.292 3.572 1.00 41.22 H new ATOM 0 HD23 LEU A 58 -1.055 1.791 3.050 1.00 41.22 H new ATOM 1007 N ASP A 59 1.506 -0.095 7.292 1.00 4.41 N ATOM 1008 CA ASP A 59 2.419 -0.508 8.355 1.00 11.32 C ATOM 1009 C ASP A 59 1.692 -1.409 9.357 1.00 12.32 C ATOM 1010 O ASP A 59 2.291 -2.292 9.977 1.00 64.34 O ATOM 1011 CB ASP A 59 2.991 0.733 9.051 1.00 0.25 C ATOM 1012 CG ASP A 59 4.179 0.421 9.937 1.00 43.11 C ATOM 1013 OD1 ASP A 59 5.274 0.160 9.396 1.00 24.34 O ATOM 1014 OD2 ASP A 59 4.031 0.463 11.176 1.00 23.44 O ATOM 0 H ASP A 59 1.366 0.913 7.228 1.00 4.41 H new ATOM 0 HA ASP A 59 3.242 -1.078 7.924 1.00 11.32 H new ATOM 0 HB2 ASP A 59 3.289 1.461 8.296 1.00 0.25 H new ATOM 0 HB3 ASP A 59 2.209 1.198 9.652 1.00 0.25 H new ATOM 1019 N LYS A 60 0.387 -1.198 9.477 1.00 53.11 N ATOM 1020 CA LYS A 60 -0.452 -1.962 10.389 1.00 23.30 C ATOM 1021 C LYS A 60 -0.726 -3.378 9.880 1.00 24.04 C ATOM 1022 O LYS A 60 -0.916 -4.294 10.677 1.00 15.52 O ATOM 1023 CB LYS A 60 -1.772 -1.229 10.622 1.00 30.14 C ATOM 1024 CG LYS A 60 -1.903 -0.638 12.015 1.00 33.13 C ATOM 1025 CD LYS A 60 -0.744 0.288 12.353 1.00 14.32 C ATOM 1026 CE LYS A 60 -0.891 0.869 13.749 1.00 53.13 C ATOM 1027 NZ LYS A 60 -0.833 -0.175 14.810 1.00 31.15 N ATOM 0 H LYS A 60 -0.119 -0.491 8.944 1.00 53.11 H new ATOM 0 HA LYS A 60 0.092 -2.054 11.329 1.00 23.30 H new ATOM 0 HB2 LYS A 60 -1.869 -0.430 9.887 1.00 30.14 H new ATOM 0 HB3 LYS A 60 -2.597 -1.921 10.451 1.00 30.14 H new ATOM 0 HG2 LYS A 60 -2.841 -0.087 12.088 1.00 33.13 H new ATOM 0 HG3 LYS A 60 -1.949 -1.444 12.748 1.00 33.13 H new ATOM 0 HD2 LYS A 60 0.195 -0.261 12.282 1.00 14.32 H new ATOM 0 HD3 LYS A 60 -0.697 1.096 11.623 1.00 14.32 H new ATOM 0 HE2 LYS A 60 -0.101 1.600 13.920 1.00 53.13 H new ATOM 0 HE3 LYS A 60 -1.839 1.402 13.819 1.00 53.13 H new ATOM 0 HZ1 LYS A 60 -0.750 0.281 15.741 1.00 31.15 H new ATOM 0 HZ2 LYS A 60 -1.700 -0.748 14.781 1.00 31.15 H new ATOM 0 HZ3 LYS A 60 -0.008 -0.787 14.650 1.00 31.15 H new ATOM 1041 N ILE A 61 -0.760 -3.569 8.562 1.00 22.31 N ATOM 1042 CA ILE A 61 -1.005 -4.903 8.010 1.00 43.42 C ATOM 1043 C ILE A 61 0.295 -5.680 7.857 1.00 45.13 C ATOM 1044 O ILE A 61 0.295 -6.821 7.392 1.00 61.21 O ATOM 1045 CB ILE A 61 -1.751 -4.887 6.653 1.00 44.33 C ATOM 1046 CG1 ILE A 61 -1.051 -3.977 5.644 1.00 60.05 C ATOM 1047 CG2 ILE A 61 -3.193 -4.460 6.849 1.00 11.23 C ATOM 1048 CD1 ILE A 61 -1.647 -4.038 4.251 1.00 12.35 C ATOM 0 H ILE A 61 -0.624 -2.834 7.868 1.00 22.31 H new ATOM 0 HA ILE A 61 -1.655 -5.398 8.732 1.00 43.42 H new ATOM 0 HB ILE A 61 -1.738 -5.899 6.250 1.00 44.33 H new ATOM 0 HG12 ILE A 61 -1.095 -2.949 6.004 1.00 60.05 H new ATOM 0 HG13 ILE A 61 0.003 -4.251 5.591 1.00 60.05 H new ATOM 0 HG21 ILE A 61 -3.705 -4.453 5.887 1.00 11.23 H new ATOM 0 HG22 ILE A 61 -3.692 -5.159 7.520 1.00 11.23 H new ATOM 0 HG23 ILE A 61 -3.221 -3.460 7.281 1.00 11.23 H new ATOM 0 HD11 ILE A 61 -1.098 -3.366 3.591 1.00 12.35 H new ATOM 0 HD12 ILE A 61 -1.578 -5.057 3.870 1.00 12.35 H new ATOM 0 HD13 ILE A 61 -2.693 -3.735 4.289 1.00 12.35 H new ATOM 1060 N GLY A 62 1.398 -5.063 8.261 1.00 50.41 N ATOM 1061 CA GLY A 62 2.674 -5.751 8.241 1.00 63.15 C ATOM 1062 C GLY A 62 3.511 -5.410 7.028 1.00 62.44 C ATOM 1063 O GLY A 62 4.466 -6.121 6.707 1.00 73.32 O ATOM 0 H GLY A 62 1.432 -4.102 8.601 1.00 50.41 H new ATOM 0 HA2 GLY A 62 3.231 -5.498 9.143 1.00 63.15 H new ATOM 0 HA3 GLY A 62 2.501 -6.827 8.265 1.00 63.15 H new ATOM 1067 N PHE A 63 3.157 -4.329 6.350 1.00 71.55 N ATOM 1068 CA PHE A 63 3.890 -3.892 5.171 1.00 25.14 C ATOM 1069 C PHE A 63 5.286 -3.447 5.569 1.00 54.40 C ATOM 1070 O PHE A 63 5.468 -2.388 6.169 1.00 72.25 O ATOM 1071 CB PHE A 63 3.135 -2.753 4.481 1.00 65.32 C ATOM 1072 CG PHE A 63 3.618 -2.412 3.101 1.00 5.13 C ATOM 1073 CD1 PHE A 63 3.173 -3.135 2.009 1.00 2.22 C ATOM 1074 CD2 PHE A 63 4.492 -1.358 2.893 1.00 21.35 C ATOM 1075 CE1 PHE A 63 3.590 -2.817 0.734 1.00 11.43 C ATOM 1076 CE2 PHE A 63 4.918 -1.035 1.617 1.00 21.13 C ATOM 1077 CZ PHE A 63 4.465 -1.766 0.537 1.00 64.32 C ATOM 0 H PHE A 63 2.364 -3.736 6.597 1.00 71.55 H new ATOM 0 HA PHE A 63 3.977 -4.723 4.471 1.00 25.14 H new ATOM 0 HB2 PHE A 63 2.080 -3.020 4.424 1.00 65.32 H new ATOM 0 HB3 PHE A 63 3.205 -1.862 5.104 1.00 65.32 H new ATOM 0 HD1 PHE A 63 2.490 -3.959 2.157 1.00 2.22 H new ATOM 0 HD2 PHE A 63 4.845 -0.782 3.736 1.00 21.35 H new ATOM 0 HE1 PHE A 63 3.233 -3.389 -0.110 1.00 11.43 H new ATOM 0 HE2 PHE A 63 5.603 -0.214 1.466 1.00 21.13 H new ATOM 0 HZ PHE A 63 4.794 -1.517 -0.461 1.00 64.32 H new ATOM 1087 N VAL A 64 6.259 -4.285 5.257 1.00 21.40 N ATOM 1088 CA VAL A 64 7.635 -4.028 5.620 1.00 42.31 C ATOM 1089 C VAL A 64 8.229 -2.944 4.723 1.00 51.25 C ATOM 1090 O VAL A 64 7.859 -2.823 3.558 1.00 54.24 O ATOM 1091 CB VAL A 64 8.470 -5.327 5.533 1.00 24.25 C ATOM 1092 CG1 VAL A 64 8.658 -5.777 4.092 1.00 41.51 C ATOM 1093 CG2 VAL A 64 9.810 -5.169 6.232 1.00 21.44 C ATOM 0 H VAL A 64 6.115 -5.157 4.748 1.00 21.40 H new ATOM 0 HA VAL A 64 7.661 -3.673 6.650 1.00 42.31 H new ATOM 0 HB VAL A 64 7.910 -6.106 6.051 1.00 24.25 H new ATOM 0 HG11 VAL A 64 9.249 -6.692 4.071 1.00 41.51 H new ATOM 0 HG12 VAL A 64 7.684 -5.963 3.639 1.00 41.51 H new ATOM 0 HG13 VAL A 64 9.175 -4.998 3.532 1.00 41.51 H new ATOM 0 HG21 VAL A 64 10.373 -6.099 6.153 1.00 21.44 H new ATOM 0 HG22 VAL A 64 10.373 -4.363 5.762 1.00 21.44 H new ATOM 0 HG23 VAL A 64 9.646 -4.932 7.283 1.00 21.44 H new