USER MOD reduce.3.24.130724 H: found=0, std=0, add=527, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 528 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 64 ASN : amide:sc= -0.113 K(o=-0.1,f=-0.63!) USER MOD Set 1.2: A 66 SER OG : rot 160:sc= 0.013 USER MOD Set 2.1: A 15 ASN : amide:sc= 1.42 X(o=0.33,f=0.79) USER MOD Set 2.2: A 25 GLN : amide:sc= -1.47! K(o=0.33!,f=2) USER MOD Set 2.3: A 43 CYS SG : rot -150:sc= 0.372 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 GLN : amide:sc= 2.13 K(o=2.1,f=-0.25) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 1.26 (180deg=1.26) USER MOD Single : A 11 SER OG : rot -86:sc= 1.14 USER MOD Single : A 13 ASN : amide:sc= 0.316 K(o=0.32,f=-1.6!) USER MOD Single : A 16 SER OG : rot 55:sc= 0.563 USER MOD Single : A 17 TYR OH : rot -157:sc= 1.21 USER MOD Single : A 20 LYS NZ :NH3+ -170:sc=-0.000973 (180deg=-0.114) USER MOD Single : A 21 SER OG : rot 80:sc= 1.2 USER MOD Single : A 23 LYS NZ :NH3+ -123:sc= 1.14 (180deg=-0.27) USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.428 USER MOD Single : A 30 LYS NZ :NH3+ 149:sc= -0.109 (180deg=-0.559) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -0.544 X(o=-0.54,f=-0.23) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= 0 K(o=0,f=-0.93) USER MOD Single : A 41 THR OG1 : rot 28:sc= 0.959 USER MOD Single : A 44 LYS NZ :NH3+ -167:sc=-0.00592 (180deg=-0.151) USER MOD Single : A 51 MET CE :methyl 149:sc= -0.396 (180deg=-1.52!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= -0.542 X(o=-0.54,f=-0.21) USER MOD Single : A 60 TYR OH : rot 165:sc= 0 USER MOD Single : A 62 ASN : amide:sc= -0.386 X(o=-0.39,f=-0.076) USER MOD Single : A 65 LYS NZ :NH3+ -170:sc= -0.0155 (180deg=-0.125) USER MOD ----------------------------------------------------------------- ATOM 70 N LYS A 5 9.931 8.286 6.490 1.00 0.00 N ATOM 71 CA LYS A 5 8.784 7.503 6.942 1.00 0.00 C ATOM 72 C LYS A 5 7.875 7.106 5.789 1.00 0.00 C ATOM 73 O LYS A 5 7.437 5.967 5.720 1.00 0.00 O ATOM 74 CB LYS A 5 7.964 8.265 7.987 1.00 0.00 C ATOM 75 CG LYS A 5 8.573 8.253 9.378 1.00 0.00 C ATOM 76 CD LYS A 5 7.610 8.822 10.411 1.00 0.00 C ATOM 77 CE LYS A 5 6.274 8.086 10.398 1.00 0.00 C ATOM 78 NZ LYS A 5 5.377 8.525 11.502 1.00 0.00 N ATOM 0 HA LYS A 5 9.191 6.598 7.393 1.00 0.00 H new ATOM 0 HB2 LYS A 5 7.849 9.299 7.661 1.00 0.00 H new ATOM 0 HB3 LYS A 5 6.964 7.833 8.035 1.00 0.00 H new ATOM 0 HG2 LYS A 5 8.840 7.232 9.651 1.00 0.00 H new ATOM 0 HG3 LYS A 5 9.495 8.835 9.378 1.00 0.00 H new ATOM 0 HD2 LYS A 5 8.056 8.751 11.403 1.00 0.00 H new ATOM 0 HD3 LYS A 5 7.445 9.881 10.211 1.00 0.00 H new ATOM 0 HE2 LYS A 5 5.779 8.254 9.442 1.00 0.00 H new ATOM 0 HE3 LYS A 5 6.451 7.014 10.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 4.482 7.998 11.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 5.837 8.342 12.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 5.185 9.543 11.409 1.00 0.00 H new ATOM 92 N GLN A 6 7.604 8.033 4.880 1.00 0.00 N ATOM 93 CA GLN A 6 6.681 7.766 3.782 1.00 0.00 C ATOM 94 C GLN A 6 7.216 6.646 2.889 1.00 0.00 C ATOM 95 O GLN A 6 6.453 5.820 2.386 1.00 0.00 O ATOM 96 CB GLN A 6 6.432 9.040 2.966 1.00 0.00 C ATOM 97 CG GLN A 6 5.468 8.850 1.803 1.00 0.00 C ATOM 98 CD GLN A 6 4.106 8.341 2.242 1.00 0.00 C ATOM 99 OE1 GLN A 6 3.192 9.123 2.522 1.00 0.00 O ATOM 100 NE2 GLN A 6 3.958 7.028 2.309 1.00 0.00 N ATOM 0 H GLN A 6 8.006 8.970 4.879 1.00 0.00 H new ATOM 0 HA GLN A 6 5.730 7.440 4.204 1.00 0.00 H new ATOM 0 HB2 GLN A 6 6.040 9.812 3.628 1.00 0.00 H new ATOM 0 HB3 GLN A 6 7.384 9.404 2.580 1.00 0.00 H new ATOM 0 HG2 GLN A 6 5.345 9.799 1.281 1.00 0.00 H new ATOM 0 HG3 GLN A 6 5.900 8.148 1.090 1.00 0.00 H new ATOM 0 HE21 GLN A 6 4.737 6.414 2.070 1.00 0.00 H new ATOM 0 HE22 GLN A 6 3.065 6.630 2.600 1.00 0.00 H new ATOM 109 N LYS A 7 8.526 6.605 2.721 1.00 0.00 N ATOM 110 CA LYS A 7 9.159 5.567 1.921 1.00 0.00 C ATOM 111 C LYS A 7 9.100 4.221 2.647 1.00 0.00 C ATOM 112 O LYS A 7 8.946 3.169 2.023 1.00 0.00 O ATOM 113 CB LYS A 7 10.608 5.953 1.608 1.00 0.00 C ATOM 114 CG LYS A 7 10.733 7.304 0.910 1.00 0.00 C ATOM 115 CD LYS A 7 12.171 7.625 0.528 1.00 0.00 C ATOM 116 CE LYS A 7 12.684 6.695 -0.560 1.00 0.00 C ATOM 117 NZ LYS A 7 14.022 7.108 -1.061 1.00 0.00 N ATOM 0 H LYS A 7 9.175 7.279 3.128 1.00 0.00 H new ATOM 0 HA LYS A 7 8.617 5.469 0.980 1.00 0.00 H new ATOM 0 HB2 LYS A 7 11.179 5.977 2.536 1.00 0.00 H new ATOM 0 HB3 LYS A 7 11.054 5.183 0.978 1.00 0.00 H new ATOM 0 HG2 LYS A 7 10.112 7.307 0.014 1.00 0.00 H new ATOM 0 HG3 LYS A 7 10.350 8.086 1.566 1.00 0.00 H new ATOM 0 HD2 LYS A 7 12.235 8.657 0.184 1.00 0.00 H new ATOM 0 HD3 LYS A 7 12.809 7.542 1.408 1.00 0.00 H new ATOM 0 HE2 LYS A 7 12.741 5.678 -0.171 1.00 0.00 H new ATOM 0 HE3 LYS A 7 11.975 6.680 -1.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 14.335 6.448 -1.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 13.964 8.068 -1.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 14.705 7.097 -0.277 1.00 0.00 H new ATOM 131 N ALA A 8 9.209 4.269 3.969 1.00 0.00 N ATOM 132 CA ALA A 8 9.138 3.069 4.796 1.00 0.00 C ATOM 133 C ALA A 8 7.705 2.563 4.917 1.00 0.00 C ATOM 134 O ALA A 8 7.452 1.366 4.823 1.00 0.00 O ATOM 135 CB ALA A 8 9.718 3.345 6.173 1.00 0.00 C ATOM 0 H ALA A 8 9.348 5.132 4.495 1.00 0.00 H new ATOM 0 HA ALA A 8 9.728 2.291 4.311 1.00 0.00 H new ATOM 0 HB1 ALA A 8 9.659 2.442 6.780 1.00 0.00 H new ATOM 0 HB2 ALA A 8 10.760 3.649 6.075 1.00 0.00 H new ATOM 0 HB3 ALA A 8 9.151 4.143 6.653 1.00 0.00 H new ATOM 141 N ILE A 9 6.770 3.479 5.121 1.00 0.00 N ATOM 142 CA ILE A 9 5.363 3.120 5.225 1.00 0.00 C ATOM 143 C ILE A 9 4.882 2.483 3.927 1.00 0.00 C ATOM 144 O ILE A 9 4.174 1.482 3.951 1.00 0.00 O ATOM 145 CB ILE A 9 4.486 4.349 5.571 1.00 0.00 C ATOM 146 CG1 ILE A 9 4.884 4.913 6.939 1.00 0.00 C ATOM 147 CG2 ILE A 9 3.009 3.982 5.555 1.00 0.00 C ATOM 148 CD1 ILE A 9 4.109 6.155 7.338 1.00 0.00 C ATOM 0 H ILE A 9 6.960 4.476 5.218 1.00 0.00 H new ATOM 0 HA ILE A 9 5.265 2.399 6.036 1.00 0.00 H new ATOM 0 HB ILE A 9 4.652 5.115 4.814 1.00 0.00 H new ATOM 0 HG12 ILE A 9 4.734 4.144 7.696 1.00 0.00 H new ATOM 0 HG13 ILE A 9 5.948 5.148 6.929 1.00 0.00 H new ATOM 0 HG21 ILE A 9 2.413 4.861 5.801 1.00 0.00 H new ATOM 0 HG22 ILE A 9 2.734 3.623 4.563 1.00 0.00 H new ATOM 0 HG23 ILE A 9 2.821 3.199 6.289 1.00 0.00 H new ATOM 0 HD11 ILE A 9 4.446 6.495 8.317 1.00 0.00 H new ATOM 0 HD12 ILE A 9 4.278 6.941 6.602 1.00 0.00 H new ATOM 0 HD13 ILE A 9 3.045 5.922 7.382 1.00 0.00 H new ATOM 160 N PHE A 10 5.297 3.052 2.798 1.00 0.00 N ATOM 161 CA PHE A 10 4.923 2.518 1.491 1.00 0.00 C ATOM 162 C PHE A 10 5.412 1.080 1.324 1.00 0.00 C ATOM 163 O PHE A 10 4.649 0.194 0.931 1.00 0.00 O ATOM 164 CB PHE A 10 5.492 3.396 0.372 1.00 0.00 C ATOM 165 CG PHE A 10 5.333 2.803 -1.001 1.00 0.00 C ATOM 166 CD1 PHE A 10 4.092 2.772 -1.616 1.00 0.00 C ATOM 167 CD2 PHE A 10 6.423 2.270 -1.671 1.00 0.00 C ATOM 168 CE1 PHE A 10 3.941 2.219 -2.875 1.00 0.00 C ATOM 169 CE2 PHE A 10 6.279 1.718 -2.928 1.00 0.00 C ATOM 170 CZ PHE A 10 5.036 1.692 -3.531 1.00 0.00 C ATOM 0 H PHE A 10 5.891 3.881 2.762 1.00 0.00 H new ATOM 0 HA PHE A 10 3.835 2.521 1.428 1.00 0.00 H new ATOM 0 HB2 PHE A 10 4.999 4.368 0.398 1.00 0.00 H new ATOM 0 HB3 PHE A 10 6.551 3.571 0.562 1.00 0.00 H new ATOM 0 HD1 PHE A 10 3.233 3.184 -1.107 1.00 0.00 H new ATOM 0 HD2 PHE A 10 7.397 2.287 -1.204 1.00 0.00 H new ATOM 0 HE1 PHE A 10 2.968 2.199 -3.344 1.00 0.00 H new ATOM 0 HE2 PHE A 10 7.137 1.307 -3.440 1.00 0.00 H new ATOM 0 HZ PHE A 10 4.921 1.260 -4.514 1.00 0.00 H new ATOM 180 N SER A 11 6.680 0.853 1.639 1.00 0.00 N ATOM 181 CA SER A 11 7.279 -0.463 1.483 1.00 0.00 C ATOM 182 C SER A 11 6.678 -1.460 2.471 1.00 0.00 C ATOM 183 O SER A 11 6.448 -2.622 2.127 1.00 0.00 O ATOM 184 CB SER A 11 8.799 -0.374 1.642 1.00 0.00 C ATOM 185 OG SER A 11 9.151 0.515 2.686 1.00 0.00 O ATOM 0 H SER A 11 7.313 1.564 2.004 1.00 0.00 H new ATOM 0 HA SER A 11 7.060 -0.826 0.479 1.00 0.00 H new ATOM 0 HB2 SER A 11 9.204 -1.364 1.851 1.00 0.00 H new ATOM 0 HB3 SER A 11 9.246 -0.037 0.707 1.00 0.00 H new ATOM 0 HG SER A 11 9.194 1.430 2.336 1.00 0.00 H new ATOM 191 N GLU A 12 6.411 -1.006 3.692 1.00 0.00 N ATOM 192 CA GLU A 12 5.774 -1.856 4.692 1.00 0.00 C ATOM 193 C GLU A 12 4.347 -2.198 4.267 1.00 0.00 C ATOM 194 O GLU A 12 3.913 -3.345 4.392 1.00 0.00 O ATOM 195 CB GLU A 12 5.779 -1.180 6.066 1.00 0.00 C ATOM 196 CG GLU A 12 5.305 -2.089 7.191 1.00 0.00 C ATOM 197 CD GLU A 12 5.502 -1.476 8.561 1.00 0.00 C ATOM 198 OE1 GLU A 12 6.613 -1.606 9.120 1.00 0.00 O ATOM 199 OE2 GLU A 12 4.554 -0.863 9.089 1.00 0.00 O ATOM 0 H GLU A 12 6.624 -0.061 4.011 1.00 0.00 H new ATOM 0 HA GLU A 12 6.345 -2.781 4.769 1.00 0.00 H new ATOM 0 HB2 GLU A 12 6.789 -0.835 6.289 1.00 0.00 H new ATOM 0 HB3 GLU A 12 5.141 -0.297 6.030 1.00 0.00 H new ATOM 0 HG2 GLU A 12 4.249 -2.316 7.048 1.00 0.00 H new ATOM 0 HG3 GLU A 12 5.844 -3.035 7.140 1.00 0.00 H new ATOM 206 N ASN A 13 3.630 -1.201 3.749 1.00 0.00 N ATOM 207 CA ASN A 13 2.283 -1.414 3.224 1.00 0.00 C ATOM 208 C ASN A 13 2.304 -2.437 2.106 1.00 0.00 C ATOM 209 O ASN A 13 1.525 -3.389 2.111 1.00 0.00 O ATOM 210 CB ASN A 13 1.673 -0.114 2.697 1.00 0.00 C ATOM 211 CG ASN A 13 1.105 0.767 3.788 1.00 0.00 C ATOM 212 OD1 ASN A 13 0.702 0.283 4.846 1.00 0.00 O ATOM 213 ND2 ASN A 13 1.048 2.061 3.528 1.00 0.00 N ATOM 0 H ASN A 13 3.960 -0.238 3.682 1.00 0.00 H new ATOM 0 HA ASN A 13 1.671 -1.780 4.048 1.00 0.00 H new ATOM 0 HB2 ASN A 13 2.436 0.442 2.151 1.00 0.00 H new ATOM 0 HB3 ASN A 13 0.883 -0.354 1.985 1.00 0.00 H new ATOM 0 HD21 ASN A 13 0.658 2.703 4.218 1.00 0.00 H new ATOM 0 HD22 ASN A 13 1.394 2.418 2.637 1.00 0.00 H new ATOM 220 N LEU A 14 3.201 -2.230 1.152 1.00 0.00 N ATOM 221 CA LEU A 14 3.341 -3.130 0.018 1.00 0.00 C ATOM 222 C LEU A 14 3.583 -4.555 0.505 1.00 0.00 C ATOM 223 O LEU A 14 2.928 -5.497 0.051 1.00 0.00 O ATOM 224 CB LEU A 14 4.490 -2.666 -0.886 1.00 0.00 C ATOM 225 CG LEU A 14 4.621 -3.412 -2.213 1.00 0.00 C ATOM 226 CD1 LEU A 14 3.381 -3.206 -3.067 1.00 0.00 C ATOM 227 CD2 LEU A 14 5.864 -2.954 -2.959 1.00 0.00 C ATOM 0 H LEU A 14 3.847 -1.440 1.142 1.00 0.00 H new ATOM 0 HA LEU A 14 2.418 -3.115 -0.562 1.00 0.00 H new ATOM 0 HB2 LEU A 14 4.358 -1.605 -1.097 1.00 0.00 H new ATOM 0 HB3 LEU A 14 5.426 -2.768 -0.337 1.00 0.00 H new ATOM 0 HG LEU A 14 4.718 -4.477 -2.001 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.493 -3.745 -4.008 1.00 0.00 H new ATOM 0 HD12 LEU A 14 2.507 -3.582 -2.536 1.00 0.00 H new ATOM 0 HD13 LEU A 14 3.252 -2.143 -3.271 1.00 0.00 H new ATOM 0 HD21 LEU A 14 5.942 -3.495 -3.902 1.00 0.00 H new ATOM 0 HD22 LEU A 14 5.795 -1.885 -3.159 1.00 0.00 H new ATOM 0 HD23 LEU A 14 6.747 -3.153 -2.352 1.00 0.00 H new ATOM 239 N ASN A 15 4.498 -4.700 1.461 1.00 0.00 N ATOM 240 CA ASN A 15 4.808 -6.004 2.044 1.00 0.00 C ATOM 241 C ASN A 15 3.577 -6.644 2.670 1.00 0.00 C ATOM 242 O ASN A 15 3.399 -7.856 2.582 1.00 0.00 O ATOM 243 CB ASN A 15 5.912 -5.889 3.097 1.00 0.00 C ATOM 244 CG ASN A 15 7.302 -6.055 2.514 1.00 0.00 C ATOM 245 OD1 ASN A 15 7.828 -7.166 2.440 1.00 0.00 O ATOM 246 ND2 ASN A 15 7.909 -4.953 2.104 1.00 0.00 N ATOM 0 H ASN A 15 5.039 -3.928 1.850 1.00 0.00 H new ATOM 0 HA ASN A 15 5.156 -6.640 1.230 1.00 0.00 H new ATOM 0 HB2 ASN A 15 5.842 -4.917 3.585 1.00 0.00 H new ATOM 0 HB3 ASN A 15 5.753 -6.644 3.867 1.00 0.00 H new ATOM 0 HD21 ASN A 15 8.848 -5.005 1.709 1.00 0.00 H new ATOM 0 HD22 ASN A 15 7.438 -4.052 2.183 1.00 0.00 H new ATOM 253 N SER A 16 2.721 -5.826 3.285 1.00 0.00 N ATOM 254 CA SER A 16 1.527 -6.335 3.958 1.00 0.00 C ATOM 255 C SER A 16 0.677 -7.169 3.006 1.00 0.00 C ATOM 256 O SER A 16 0.341 -8.316 3.294 1.00 0.00 O ATOM 257 CB SER A 16 0.674 -5.182 4.499 1.00 0.00 C ATOM 258 OG SER A 16 1.443 -4.262 5.257 1.00 0.00 O ATOM 0 H SER A 16 2.832 -4.813 3.330 1.00 0.00 H new ATOM 0 HA SER A 16 1.863 -6.960 4.785 1.00 0.00 H new ATOM 0 HB2 SER A 16 0.201 -4.660 3.667 1.00 0.00 H new ATOM 0 HB3 SER A 16 -0.126 -5.584 5.120 1.00 0.00 H new ATOM 0 HG SER A 16 2.197 -3.944 4.718 1.00 0.00 H new ATOM 264 N TYR A 17 0.359 -6.596 1.855 1.00 0.00 N ATOM 265 CA TYR A 17 -0.570 -7.220 0.924 1.00 0.00 C ATOM 266 C TYR A 17 0.097 -8.363 0.171 1.00 0.00 C ATOM 267 O TYR A 17 -0.550 -9.350 -0.169 1.00 0.00 O ATOM 268 CB TYR A 17 -1.119 -6.176 -0.054 1.00 0.00 C ATOM 269 CG TYR A 17 -1.609 -4.926 0.641 1.00 0.00 C ATOM 270 CD1 TYR A 17 -2.703 -4.963 1.498 1.00 0.00 C ATOM 271 CD2 TYR A 17 -0.954 -3.715 0.467 1.00 0.00 C ATOM 272 CE1 TYR A 17 -3.124 -3.828 2.164 1.00 0.00 C ATOM 273 CE2 TYR A 17 -1.376 -2.574 1.124 1.00 0.00 C ATOM 274 CZ TYR A 17 -2.457 -2.638 1.972 1.00 0.00 C ATOM 275 OH TYR A 17 -2.860 -1.513 2.654 1.00 0.00 O ATOM 0 H TYR A 17 0.731 -5.699 1.543 1.00 0.00 H new ATOM 0 HA TYR A 17 -1.400 -7.636 1.495 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -0.340 -5.908 -0.768 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -1.938 -6.614 -0.625 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -3.232 -5.893 1.645 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -0.100 -3.663 -0.193 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -3.972 -3.873 2.832 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -0.860 -1.638 0.972 1.00 0.00 H new ATOM 0 HH TYR A 17 -2.564 -0.714 2.170 1.00 0.00 H new ATOM 285 N ILE A 18 1.394 -8.232 -0.071 1.00 0.00 N ATOM 286 CA ILE A 18 2.142 -9.261 -0.782 1.00 0.00 C ATOM 287 C ILE A 18 2.363 -10.483 0.106 1.00 0.00 C ATOM 288 O ILE A 18 2.160 -11.616 -0.324 1.00 0.00 O ATOM 289 CB ILE A 18 3.500 -8.719 -1.275 1.00 0.00 C ATOM 290 CG1 ILE A 18 3.284 -7.540 -2.220 1.00 0.00 C ATOM 291 CG2 ILE A 18 4.300 -9.810 -1.973 1.00 0.00 C ATOM 292 CD1 ILE A 18 4.567 -6.868 -2.650 1.00 0.00 C ATOM 0 H ILE A 18 1.950 -7.425 0.214 1.00 0.00 H new ATOM 0 HA ILE A 18 1.551 -9.558 -1.648 1.00 0.00 H new ATOM 0 HB ILE A 18 4.067 -8.381 -0.408 1.00 0.00 H new ATOM 0 HG12 ILE A 18 2.751 -7.887 -3.105 1.00 0.00 H new ATOM 0 HG13 ILE A 18 2.645 -6.805 -1.731 1.00 0.00 H new ATOM 0 HG21 ILE A 18 5.253 -9.403 -2.311 1.00 0.00 H new ATOM 0 HG22 ILE A 18 4.482 -10.629 -1.277 1.00 0.00 H new ATOM 0 HG23 ILE A 18 3.739 -10.180 -2.831 1.00 0.00 H new ATOM 0 HD11 ILE A 18 4.337 -6.040 -3.320 1.00 0.00 H new ATOM 0 HD12 ILE A 18 5.092 -6.490 -1.772 1.00 0.00 H new ATOM 0 HD13 ILE A 18 5.199 -7.589 -3.168 1.00 0.00 H new ATOM 304 N ALA A 19 2.756 -10.245 1.354 1.00 0.00 N ATOM 305 CA ALA A 19 2.999 -11.331 2.296 1.00 0.00 C ATOM 306 C ALA A 19 1.689 -11.980 2.727 1.00 0.00 C ATOM 307 O ALA A 19 1.675 -13.121 3.184 1.00 0.00 O ATOM 308 CB ALA A 19 3.766 -10.834 3.514 1.00 0.00 C ATOM 0 H ALA A 19 2.912 -9.312 1.735 1.00 0.00 H new ATOM 0 HA ALA A 19 3.606 -12.081 1.789 1.00 0.00 H new ATOM 0 HB1 ALA A 19 3.934 -11.663 4.201 1.00 0.00 H new ATOM 0 HB2 ALA A 19 4.725 -10.424 3.198 1.00 0.00 H new ATOM 0 HB3 ALA A 19 3.188 -10.058 4.016 1.00 0.00 H new ATOM 314 N LYS A 20 0.592 -11.245 2.593 1.00 0.00 N ATOM 315 CA LYS A 20 -0.722 -11.782 2.906 1.00 0.00 C ATOM 316 C LYS A 20 -1.220 -12.634 1.747 1.00 0.00 C ATOM 317 O LYS A 20 -1.819 -13.691 1.951 1.00 0.00 O ATOM 318 CB LYS A 20 -1.711 -10.650 3.187 1.00 0.00 C ATOM 319 CG LYS A 20 -3.018 -11.115 3.812 1.00 0.00 C ATOM 320 CD LYS A 20 -2.784 -11.803 5.149 1.00 0.00 C ATOM 321 CE LYS A 20 -4.084 -12.313 5.754 1.00 0.00 C ATOM 322 NZ LYS A 20 -5.033 -11.210 6.053 1.00 0.00 N ATOM 0 H LYS A 20 0.588 -10.277 2.270 1.00 0.00 H new ATOM 0 HA LYS A 20 -0.643 -12.402 3.799 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -1.240 -9.925 3.851 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -1.930 -10.132 2.253 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -3.680 -10.260 3.953 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -3.524 -11.801 3.132 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -2.094 -12.636 5.014 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -2.310 -11.105 5.839 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -4.552 -13.016 5.065 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -3.866 -12.861 6.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -5.827 -11.578 6.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -4.543 -10.467 6.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -5.393 -10.811 5.163 1.00 0.00 H new ATOM 336 N SER A 21 -0.965 -12.166 0.533 1.00 0.00 N ATOM 337 CA SER A 21 -1.347 -12.885 -0.665 1.00 0.00 C ATOM 338 C SER A 21 -0.441 -14.096 -0.889 1.00 0.00 C ATOM 339 O SER A 21 0.537 -14.297 -0.168 1.00 0.00 O ATOM 340 CB SER A 21 -1.293 -11.943 -1.863 1.00 0.00 C ATOM 341 OG SER A 21 -2.154 -10.833 -1.671 1.00 0.00 O ATOM 0 H SER A 21 -0.490 -11.281 0.356 1.00 0.00 H new ATOM 0 HA SER A 21 -2.366 -13.253 -0.545 1.00 0.00 H new ATOM 0 HB2 SER A 21 -0.271 -11.595 -2.011 1.00 0.00 H new ATOM 0 HB3 SER A 21 -1.581 -12.480 -2.767 1.00 0.00 H new ATOM 0 HG SER A 21 -1.717 -10.177 -1.089 1.00 0.00 H new ATOM 347 N GLU A 22 -0.777 -14.905 -1.882 1.00 0.00 N ATOM 348 CA GLU A 22 -0.063 -16.150 -2.131 1.00 0.00 C ATOM 349 C GLU A 22 0.888 -16.029 -3.319 1.00 0.00 C ATOM 350 O GLU A 22 1.847 -16.795 -3.443 1.00 0.00 O ATOM 351 CB GLU A 22 -1.077 -17.261 -2.389 1.00 0.00 C ATOM 352 CG GLU A 22 -0.481 -18.654 -2.421 1.00 0.00 C ATOM 353 CD GLU A 22 -1.499 -19.694 -2.825 1.00 0.00 C ATOM 354 OE1 GLU A 22 -2.520 -19.832 -2.121 1.00 0.00 O ATOM 355 OE2 GLU A 22 -1.298 -20.354 -3.864 1.00 0.00 O ATOM 0 H GLU A 22 -1.542 -14.722 -2.531 1.00 0.00 H new ATOM 0 HA GLU A 22 0.539 -16.383 -1.252 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -1.844 -17.224 -1.615 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.574 -17.069 -3.340 1.00 0.00 H new ATOM 0 HG2 GLU A 22 0.356 -18.675 -3.119 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -0.081 -18.900 -1.437 1.00 0.00 H new ATOM 362 N LYS A 23 0.628 -15.064 -4.188 1.00 0.00 N ATOM 363 CA LYS A 23 1.394 -14.936 -5.420 1.00 0.00 C ATOM 364 C LYS A 23 2.749 -14.288 -5.143 1.00 0.00 C ATOM 365 O LYS A 23 2.866 -13.423 -4.276 1.00 0.00 O ATOM 366 CB LYS A 23 0.609 -14.121 -6.451 1.00 0.00 C ATOM 367 CG LYS A 23 0.784 -14.626 -7.877 1.00 0.00 C ATOM 368 CD LYS A 23 0.341 -16.077 -7.998 1.00 0.00 C ATOM 369 CE LYS A 23 0.566 -16.630 -9.396 1.00 0.00 C ATOM 370 NZ LYS A 23 -0.282 -15.955 -10.414 1.00 0.00 N ATOM 0 H LYS A 23 -0.102 -14.362 -4.065 1.00 0.00 H new ATOM 0 HA LYS A 23 1.568 -15.933 -5.826 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -0.450 -14.144 -6.192 1.00 0.00 H new ATOM 0 HB3 LYS A 23 0.928 -13.080 -6.400 1.00 0.00 H new ATOM 0 HG2 LYS A 23 0.203 -14.006 -8.560 1.00 0.00 H new ATOM 0 HG3 LYS A 23 1.829 -14.535 -8.174 1.00 0.00 H new ATOM 0 HD2 LYS A 23 0.888 -16.684 -7.276 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -0.716 -16.155 -7.744 1.00 0.00 H new ATOM 0 HE2 LYS A 23 1.616 -16.513 -9.666 1.00 0.00 H new ATOM 0 HE3 LYS A 23 0.353 -17.699 -9.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -0.862 -16.663 -10.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -0.903 -15.264 -9.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 0.325 -15.465 -11.102 1.00 0.00 H new ATOM 384 N THR A 24 3.761 -14.720 -5.884 1.00 0.00 N ATOM 385 CA THR A 24 5.123 -14.253 -5.677 1.00 0.00 C ATOM 386 C THR A 24 5.314 -12.834 -6.192 1.00 0.00 C ATOM 387 O THR A 24 4.566 -12.364 -7.056 1.00 0.00 O ATOM 388 CB THR A 24 6.136 -15.180 -6.374 1.00 0.00 C ATOM 389 OG1 THR A 24 5.750 -15.376 -7.739 1.00 0.00 O ATOM 390 CG2 THR A 24 6.225 -16.524 -5.670 1.00 0.00 C ATOM 0 H THR A 24 3.661 -15.398 -6.639 1.00 0.00 H new ATOM 0 HA THR A 24 5.299 -14.264 -4.601 1.00 0.00 H new ATOM 0 HB THR A 24 7.117 -14.707 -6.332 1.00 0.00 H new ATOM 0 HG1 THR A 24 6.397 -15.965 -8.181 1.00 0.00 H new ATOM 0 HG21 THR A 24 6.948 -17.157 -6.185 1.00 0.00 H new ATOM 0 HG22 THR A 24 6.544 -16.374 -4.638 1.00 0.00 H new ATOM 0 HG23 THR A 24 5.247 -17.006 -5.681 1.00 0.00 H new ATOM 398 N GLN A 25 6.329 -12.163 -5.661 1.00 0.00 N ATOM 399 CA GLN A 25 6.676 -10.816 -6.088 1.00 0.00 C ATOM 400 C GLN A 25 7.102 -10.830 -7.548 1.00 0.00 C ATOM 401 O GLN A 25 6.811 -9.906 -8.307 1.00 0.00 O ATOM 402 CB GLN A 25 7.804 -10.269 -5.214 1.00 0.00 C ATOM 403 CG GLN A 25 7.439 -10.175 -3.741 1.00 0.00 C ATOM 404 CD GLN A 25 8.592 -9.704 -2.878 1.00 0.00 C ATOM 405 OE1 GLN A 25 9.388 -10.507 -2.390 1.00 0.00 O ATOM 406 NE2 GLN A 25 8.686 -8.400 -2.672 1.00 0.00 N ATOM 0 H GLN A 25 6.931 -12.536 -4.927 1.00 0.00 H new ATOM 0 HA GLN A 25 5.804 -10.171 -5.982 1.00 0.00 H new ATOM 0 HB2 GLN A 25 8.680 -10.908 -5.323 1.00 0.00 H new ATOM 0 HB3 GLN A 25 8.085 -9.279 -5.574 1.00 0.00 H new ATOM 0 HG2 GLN A 25 6.599 -9.490 -3.623 1.00 0.00 H new ATOM 0 HG3 GLN A 25 7.105 -11.152 -3.391 1.00 0.00 H new ATOM 0 HE21 GLN A 25 8.007 -7.767 -3.094 1.00 0.00 H new ATOM 0 HE22 GLN A 25 9.438 -8.028 -2.091 1.00 0.00 H new ATOM 415 N LEU A 26 7.798 -11.895 -7.921 1.00 0.00 N ATOM 416 CA LEU A 26 8.209 -12.125 -9.297 1.00 0.00 C ATOM 417 C LEU A 26 6.989 -12.174 -10.215 1.00 0.00 C ATOM 418 O LEU A 26 6.965 -11.533 -11.268 1.00 0.00 O ATOM 419 CB LEU A 26 8.990 -13.440 -9.374 1.00 0.00 C ATOM 420 CG LEU A 26 10.185 -13.438 -10.324 1.00 0.00 C ATOM 421 CD1 LEU A 26 11.035 -14.682 -10.109 1.00 0.00 C ATOM 422 CD2 LEU A 26 9.733 -13.353 -11.776 1.00 0.00 C ATOM 0 H LEU A 26 8.094 -12.626 -7.274 1.00 0.00 H new ATOM 0 HA LEU A 26 8.848 -11.306 -9.627 1.00 0.00 H new ATOM 0 HB2 LEU A 26 9.343 -13.692 -8.374 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.306 -14.232 -9.680 1.00 0.00 H new ATOM 0 HG LEU A 26 10.787 -12.556 -10.105 1.00 0.00 H new ATOM 0 HD11 LEU A 26 11.883 -14.666 -10.794 1.00 0.00 H new ATOM 0 HD12 LEU A 26 11.398 -14.701 -9.082 1.00 0.00 H new ATOM 0 HD13 LEU A 26 10.433 -15.571 -10.298 1.00 0.00 H new ATOM 0 HD21 LEU A 26 10.606 -13.353 -12.429 1.00 0.00 H new ATOM 0 HD22 LEU A 26 9.103 -14.211 -12.012 1.00 0.00 H new ATOM 0 HD23 LEU A 26 9.167 -12.434 -11.928 1.00 0.00 H new ATOM 434 N GLU A 27 5.978 -12.927 -9.797 1.00 0.00 N ATOM 435 CA GLU A 27 4.730 -13.041 -10.545 1.00 0.00 C ATOM 436 C GLU A 27 4.061 -11.684 -10.707 1.00 0.00 C ATOM 437 O GLU A 27 3.600 -11.335 -11.792 1.00 0.00 O ATOM 438 CB GLU A 27 3.788 -14.002 -9.828 1.00 0.00 C ATOM 439 CG GLU A 27 3.731 -15.380 -10.457 1.00 0.00 C ATOM 440 CD GLU A 27 3.019 -15.383 -11.791 1.00 0.00 C ATOM 441 OE1 GLU A 27 1.871 -14.900 -11.856 1.00 0.00 O ATOM 442 OE2 GLU A 27 3.588 -15.898 -12.774 1.00 0.00 O ATOM 0 H GLU A 27 5.999 -13.473 -8.936 1.00 0.00 H new ATOM 0 HA GLU A 27 4.959 -13.426 -11.539 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.103 -14.099 -8.789 1.00 0.00 H new ATOM 0 HB3 GLU A 27 2.785 -13.575 -9.818 1.00 0.00 H new ATOM 0 HG2 GLU A 27 4.745 -15.756 -10.590 1.00 0.00 H new ATOM 0 HG3 GLU A 27 3.224 -16.065 -9.777 1.00 0.00 H new ATOM 449 N ILE A 28 4.010 -10.925 -9.619 1.00 0.00 N ATOM 450 CA ILE A 28 3.427 -9.590 -9.644 1.00 0.00 C ATOM 451 C ILE A 28 4.177 -8.697 -10.628 1.00 0.00 C ATOM 452 O ILE A 28 3.573 -8.101 -11.519 1.00 0.00 O ATOM 453 CB ILE A 28 3.449 -8.941 -8.240 1.00 0.00 C ATOM 454 CG1 ILE A 28 2.719 -9.834 -7.236 1.00 0.00 C ATOM 455 CG2 ILE A 28 2.808 -7.561 -8.280 1.00 0.00 C ATOM 456 CD1 ILE A 28 2.827 -9.362 -5.801 1.00 0.00 C ATOM 0 H ILE A 28 4.366 -11.212 -8.707 1.00 0.00 H new ATOM 0 HA ILE A 28 2.390 -9.691 -9.964 1.00 0.00 H new ATOM 0 HB ILE A 28 4.487 -8.831 -7.925 1.00 0.00 H new ATOM 0 HG12 ILE A 28 1.666 -9.888 -7.512 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.119 -10.845 -7.306 1.00 0.00 H new ATOM 0 HG21 ILE A 28 2.832 -7.120 -7.284 1.00 0.00 H new ATOM 0 HG22 ILE A 28 3.358 -6.924 -8.973 1.00 0.00 H new ATOM 0 HG23 ILE A 28 1.774 -7.650 -8.612 1.00 0.00 H new ATOM 0 HD11 ILE A 28 2.284 -10.047 -5.151 1.00 0.00 H new ATOM 0 HD12 ILE A 28 3.876 -9.335 -5.505 1.00 0.00 H new ATOM 0 HD13 ILE A 28 2.400 -8.363 -5.713 1.00 0.00 H new ATOM 468 N ALA A 29 5.500 -8.643 -10.477 1.00 0.00 N ATOM 469 CA ALA A 29 6.350 -7.795 -11.311 1.00 0.00 C ATOM 470 C ALA A 29 6.207 -8.140 -12.789 1.00 0.00 C ATOM 471 O ALA A 29 6.186 -7.249 -13.644 1.00 0.00 O ATOM 472 CB ALA A 29 7.807 -7.913 -10.879 1.00 0.00 C ATOM 0 H ALA A 29 6.010 -9.182 -9.777 1.00 0.00 H new ATOM 0 HA ALA A 29 6.023 -6.764 -11.176 1.00 0.00 H new ATOM 0 HB1 ALA A 29 8.426 -7.276 -11.510 1.00 0.00 H new ATOM 0 HB2 ALA A 29 7.905 -7.600 -9.840 1.00 0.00 H new ATOM 0 HB3 ALA A 29 8.133 -8.948 -10.978 1.00 0.00 H new ATOM 478 N LYS A 30 6.093 -9.430 -13.088 1.00 0.00 N ATOM 479 CA LYS A 30 5.946 -9.883 -14.464 1.00 0.00 C ATOM 480 C LYS A 30 4.659 -9.344 -15.082 1.00 0.00 C ATOM 481 O LYS A 30 4.662 -8.858 -16.214 1.00 0.00 O ATOM 482 CB LYS A 30 5.959 -11.412 -14.542 1.00 0.00 C ATOM 483 CG LYS A 30 5.733 -11.941 -15.949 1.00 0.00 C ATOM 484 CD LYS A 30 5.884 -13.450 -16.018 1.00 0.00 C ATOM 485 CE LYS A 30 5.674 -13.959 -17.433 1.00 0.00 C ATOM 486 NZ LYS A 30 6.499 -13.207 -18.411 1.00 0.00 N ATOM 0 H LYS A 30 6.100 -10.179 -12.395 1.00 0.00 H new ATOM 0 HA LYS A 30 6.794 -9.497 -15.029 1.00 0.00 H new ATOM 0 HB2 LYS A 30 6.916 -11.780 -14.171 1.00 0.00 H new ATOM 0 HB3 LYS A 30 5.187 -11.810 -13.883 1.00 0.00 H new ATOM 0 HG2 LYS A 30 4.735 -11.660 -16.286 1.00 0.00 H new ATOM 0 HG3 LYS A 30 6.443 -11.474 -16.631 1.00 0.00 H new ATOM 0 HD2 LYS A 30 6.877 -13.735 -15.670 1.00 0.00 H new ATOM 0 HD3 LYS A 30 5.164 -13.921 -15.349 1.00 0.00 H new ATOM 0 HE2 LYS A 30 5.927 -15.018 -17.481 1.00 0.00 H new ATOM 0 HE3 LYS A 30 4.621 -13.870 -17.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 6.759 -13.833 -19.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 5.955 -12.399 -18.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 7.362 -12.862 -17.944 1.00 0.00 H new ATOM 500 N SER A 31 3.570 -9.417 -14.332 1.00 0.00 N ATOM 501 CA SER A 31 2.279 -8.956 -14.817 1.00 0.00 C ATOM 502 C SER A 31 2.196 -7.429 -14.808 1.00 0.00 C ATOM 503 O SER A 31 1.384 -6.840 -15.520 1.00 0.00 O ATOM 504 CB SER A 31 1.156 -9.575 -13.984 1.00 0.00 C ATOM 505 OG SER A 31 1.183 -10.992 -14.092 1.00 0.00 O ATOM 0 H SER A 31 3.555 -9.792 -13.383 1.00 0.00 H new ATOM 0 HA SER A 31 2.163 -9.280 -15.851 1.00 0.00 H new ATOM 0 HB2 SER A 31 1.265 -9.281 -12.940 1.00 0.00 H new ATOM 0 HB3 SER A 31 0.192 -9.196 -14.323 1.00 0.00 H new ATOM 0 HG SER A 31 0.460 -11.375 -13.553 1.00 0.00 H new ATOM 511 N ILE A 32 3.037 -6.788 -14.005 1.00 0.00 N ATOM 512 CA ILE A 32 3.151 -5.334 -14.027 1.00 0.00 C ATOM 513 C ILE A 32 3.879 -4.895 -15.294 1.00 0.00 C ATOM 514 O ILE A 32 3.472 -3.946 -15.969 1.00 0.00 O ATOM 515 CB ILE A 32 3.899 -4.791 -12.784 1.00 0.00 C ATOM 516 CG1 ILE A 32 3.137 -5.139 -11.500 1.00 0.00 C ATOM 517 CG2 ILE A 32 4.106 -3.282 -12.890 1.00 0.00 C ATOM 518 CD1 ILE A 32 1.700 -4.665 -11.492 1.00 0.00 C ATOM 0 H ILE A 32 3.649 -7.250 -13.332 1.00 0.00 H new ATOM 0 HA ILE A 32 2.141 -4.923 -14.012 1.00 0.00 H new ATOM 0 HB ILE A 32 4.878 -5.268 -12.744 1.00 0.00 H new ATOM 0 HG12 ILE A 32 3.153 -6.220 -11.361 1.00 0.00 H new ATOM 0 HG13 ILE A 32 3.659 -4.700 -10.649 1.00 0.00 H new ATOM 0 HG21 ILE A 32 4.633 -2.924 -12.006 1.00 0.00 H new ATOM 0 HG22 ILE A 32 4.695 -3.057 -13.779 1.00 0.00 H new ATOM 0 HG23 ILE A 32 3.138 -2.786 -12.961 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.228 -4.949 -10.551 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.674 -3.580 -11.598 1.00 0.00 H new ATOM 0 HD13 ILE A 32 1.161 -5.124 -12.321 1.00 0.00 H new ATOM 530 N GLY A 33 4.954 -5.599 -15.616 1.00 0.00 N ATOM 531 CA GLY A 33 5.718 -5.286 -16.807 1.00 0.00 C ATOM 532 C GLY A 33 7.106 -4.782 -16.475 1.00 0.00 C ATOM 533 O GLY A 33 7.669 -3.957 -17.199 1.00 0.00 O ATOM 0 H GLY A 33 5.312 -6.384 -15.072 1.00 0.00 H new ATOM 0 HA2 GLY A 33 5.795 -6.176 -17.432 1.00 0.00 H new ATOM 0 HA3 GLY A 33 5.188 -4.532 -17.390 1.00 0.00 H new ATOM 537 N VAL A 34 7.654 -5.271 -15.370 1.00 0.00 N ATOM 538 CA VAL A 34 8.983 -4.880 -14.931 1.00 0.00 C ATOM 539 C VAL A 34 9.771 -6.097 -14.466 1.00 0.00 C ATOM 540 O VAL A 34 9.251 -7.217 -14.440 1.00 0.00 O ATOM 541 CB VAL A 34 8.933 -3.845 -13.781 1.00 0.00 C ATOM 542 CG1 VAL A 34 8.354 -2.520 -14.257 1.00 0.00 C ATOM 543 CG2 VAL A 34 8.134 -4.385 -12.602 1.00 0.00 C ATOM 0 H VAL A 34 7.192 -5.944 -14.759 1.00 0.00 H new ATOM 0 HA VAL A 34 9.476 -4.421 -15.788 1.00 0.00 H new ATOM 0 HB VAL A 34 9.956 -3.666 -13.451 1.00 0.00 H new ATOM 0 HG11 VAL A 34 8.332 -1.814 -13.427 1.00 0.00 H new ATOM 0 HG12 VAL A 34 8.974 -2.119 -15.058 1.00 0.00 H new ATOM 0 HG13 VAL A 34 7.341 -2.678 -14.627 1.00 0.00 H new ATOM 0 HG21 VAL A 34 8.112 -3.641 -11.806 1.00 0.00 H new ATOM 0 HG22 VAL A 34 7.115 -4.603 -12.922 1.00 0.00 H new ATOM 0 HG23 VAL A 34 8.602 -5.298 -12.233 1.00 0.00 H new ATOM 553 N SER A 35 11.026 -5.878 -14.119 1.00 0.00 N ATOM 554 CA SER A 35 11.858 -6.922 -13.558 1.00 0.00 C ATOM 555 C SER A 35 11.724 -6.932 -12.036 1.00 0.00 C ATOM 556 O SER A 35 11.465 -5.890 -11.428 1.00 0.00 O ATOM 557 CB SER A 35 13.315 -6.693 -13.956 1.00 0.00 C ATOM 558 OG SER A 35 13.444 -6.577 -15.363 1.00 0.00 O ATOM 0 H SER A 35 11.493 -4.977 -14.218 1.00 0.00 H new ATOM 0 HA SER A 35 11.533 -7.887 -13.947 1.00 0.00 H new ATOM 0 HB2 SER A 35 13.689 -5.788 -13.477 1.00 0.00 H new ATOM 0 HB3 SER A 35 13.928 -7.520 -13.598 1.00 0.00 H new ATOM 0 HG SER A 35 14.385 -6.429 -15.594 1.00 0.00 H new ATOM 564 N PRO A 36 11.887 -8.104 -11.398 1.00 0.00 N ATOM 565 CA PRO A 36 11.833 -8.227 -9.935 1.00 0.00 C ATOM 566 C PRO A 36 12.872 -7.337 -9.247 1.00 0.00 C ATOM 567 O PRO A 36 12.697 -6.947 -8.094 1.00 0.00 O ATOM 568 CB PRO A 36 12.128 -9.709 -9.679 1.00 0.00 C ATOM 569 CG PRO A 36 11.805 -10.392 -10.962 1.00 0.00 C ATOM 570 CD PRO A 36 12.119 -9.403 -12.049 1.00 0.00 C ATOM 0 HA PRO A 36 10.872 -7.907 -9.533 1.00 0.00 H new ATOM 0 HB2 PRO A 36 13.171 -9.862 -9.402 1.00 0.00 H new ATOM 0 HB3 PRO A 36 11.521 -10.097 -8.861 1.00 0.00 H new ATOM 0 HG2 PRO A 36 12.395 -11.301 -11.079 1.00 0.00 H new ATOM 0 HG3 PRO A 36 10.756 -10.687 -10.994 1.00 0.00 H new ATOM 0 HD2 PRO A 36 13.147 -9.501 -12.398 1.00 0.00 H new ATOM 0 HD3 PRO A 36 11.474 -9.540 -12.917 1.00 0.00 H new ATOM 578 N GLN A 37 13.939 -7.011 -9.974 1.00 0.00 N ATOM 579 CA GLN A 37 14.963 -6.085 -9.495 1.00 0.00 C ATOM 580 C GLN A 37 14.320 -4.748 -9.127 1.00 0.00 C ATOM 581 O GLN A 37 14.533 -4.222 -8.033 1.00 0.00 O ATOM 582 CB GLN A 37 16.031 -5.899 -10.588 1.00 0.00 C ATOM 583 CG GLN A 37 17.295 -5.142 -10.167 1.00 0.00 C ATOM 584 CD GLN A 37 17.160 -3.626 -10.238 1.00 0.00 C ATOM 585 OE1 GLN A 37 17.365 -3.021 -11.292 1.00 0.00 O ATOM 586 NE2 GLN A 37 16.860 -2.999 -9.113 1.00 0.00 N ATOM 0 H GLN A 37 14.118 -7.380 -10.908 1.00 0.00 H new ATOM 0 HA GLN A 37 15.441 -6.490 -8.603 1.00 0.00 H new ATOM 0 HB2 GLN A 37 16.325 -6.883 -10.953 1.00 0.00 H new ATOM 0 HB3 GLN A 37 15.577 -5.371 -11.426 1.00 0.00 H new ATOM 0 HG2 GLN A 37 17.554 -5.426 -9.147 1.00 0.00 H new ATOM 0 HG3 GLN A 37 18.122 -5.453 -10.805 1.00 0.00 H new ATOM 0 HE21 GLN A 37 16.697 -3.533 -8.259 1.00 0.00 H new ATOM 0 HE22 GLN A 37 16.792 -1.981 -9.099 1.00 0.00 H new ATOM 595 N THR A 38 13.494 -4.231 -10.030 1.00 0.00 N ATOM 596 CA THR A 38 12.848 -2.942 -9.833 1.00 0.00 C ATOM 597 C THR A 38 11.799 -3.046 -8.728 1.00 0.00 C ATOM 598 O THR A 38 11.557 -2.101 -7.976 1.00 0.00 O ATOM 599 CB THR A 38 12.181 -2.473 -11.140 1.00 0.00 C ATOM 600 OG1 THR A 38 13.036 -2.780 -12.254 1.00 0.00 O ATOM 601 CG2 THR A 38 11.906 -0.977 -11.109 1.00 0.00 C ATOM 0 H THR A 38 13.256 -4.689 -10.910 1.00 0.00 H new ATOM 0 HA THR A 38 13.605 -2.214 -9.541 1.00 0.00 H new ATOM 0 HB THR A 38 11.230 -2.995 -11.245 1.00 0.00 H new ATOM 0 HG1 THR A 38 12.610 -2.483 -13.085 1.00 0.00 H new ATOM 0 HG21 THR A 38 11.435 -0.674 -12.044 1.00 0.00 H new ATOM 0 HG22 THR A 38 11.241 -0.746 -10.277 1.00 0.00 H new ATOM 0 HG23 THR A 38 12.845 -0.437 -10.984 1.00 0.00 H new ATOM 609 N PHE A 39 11.206 -4.223 -8.627 1.00 0.00 N ATOM 610 CA PHE A 39 10.201 -4.495 -7.617 1.00 0.00 C ATOM 611 C PHE A 39 10.847 -4.544 -6.233 1.00 0.00 C ATOM 612 O PHE A 39 10.264 -4.106 -5.241 1.00 0.00 O ATOM 613 CB PHE A 39 9.516 -5.826 -7.934 1.00 0.00 C ATOM 614 CG PHE A 39 8.244 -6.066 -7.166 1.00 0.00 C ATOM 615 CD1 PHE A 39 8.276 -6.627 -5.901 1.00 0.00 C ATOM 616 CD2 PHE A 39 7.016 -5.738 -7.719 1.00 0.00 C ATOM 617 CE1 PHE A 39 7.110 -6.854 -5.200 1.00 0.00 C ATOM 618 CE2 PHE A 39 5.846 -5.967 -7.021 1.00 0.00 C ATOM 619 CZ PHE A 39 5.894 -6.525 -5.759 1.00 0.00 C ATOM 0 H PHE A 39 11.407 -5.013 -9.240 1.00 0.00 H new ATOM 0 HA PHE A 39 9.457 -3.699 -7.619 1.00 0.00 H new ATOM 0 HB2 PHE A 39 9.295 -5.863 -9.001 1.00 0.00 H new ATOM 0 HB3 PHE A 39 10.212 -6.638 -7.725 1.00 0.00 H new ATOM 0 HD1 PHE A 39 9.225 -6.890 -5.458 1.00 0.00 H new ATOM 0 HD2 PHE A 39 6.973 -5.299 -8.705 1.00 0.00 H new ATOM 0 HE1 PHE A 39 7.150 -7.290 -4.213 1.00 0.00 H new ATOM 0 HE2 PHE A 39 4.894 -5.710 -7.462 1.00 0.00 H new ATOM 0 HZ PHE A 39 4.981 -6.703 -5.211 1.00 0.00 H new ATOM 629 N ASN A 40 12.067 -5.067 -6.181 1.00 0.00 N ATOM 630 CA ASN A 40 12.798 -5.202 -4.927 1.00 0.00 C ATOM 631 C ASN A 40 13.211 -3.833 -4.388 1.00 0.00 C ATOM 632 O ASN A 40 13.154 -3.590 -3.183 1.00 0.00 O ATOM 633 CB ASN A 40 14.030 -6.095 -5.121 1.00 0.00 C ATOM 634 CG ASN A 40 14.691 -6.474 -3.808 1.00 0.00 C ATOM 635 OD1 ASN A 40 14.034 -6.559 -2.771 1.00 0.00 O ATOM 636 ND2 ASN A 40 15.994 -6.716 -3.846 1.00 0.00 N ATOM 0 H ASN A 40 12.573 -5.406 -6.999 1.00 0.00 H new ATOM 0 HA ASN A 40 12.139 -5.670 -4.196 1.00 0.00 H new ATOM 0 HB2 ASN A 40 13.737 -7.002 -5.651 1.00 0.00 H new ATOM 0 HB3 ASN A 40 14.753 -5.577 -5.751 1.00 0.00 H new ATOM 0 HD21 ASN A 40 16.488 -6.984 -2.995 1.00 0.00 H new ATOM 0 HD22 ASN A 40 16.502 -6.634 -4.726 1.00 0.00 H new ATOM 643 N THR A 41 13.605 -2.930 -5.282 1.00 0.00 N ATOM 644 CA THR A 41 13.966 -1.578 -4.878 1.00 0.00 C ATOM 645 C THR A 41 12.755 -0.831 -4.326 1.00 0.00 C ATOM 646 O THR A 41 12.893 0.101 -3.533 1.00 0.00 O ATOM 647 CB THR A 41 14.597 -0.788 -6.043 1.00 0.00 C ATOM 648 OG1 THR A 41 13.907 -1.061 -7.268 1.00 0.00 O ATOM 649 CG2 THR A 41 16.066 -1.141 -6.203 1.00 0.00 C ATOM 0 H THR A 41 13.682 -3.110 -6.283 1.00 0.00 H new ATOM 0 HA THR A 41 14.711 -1.664 -4.087 1.00 0.00 H new ATOM 0 HB THR A 41 14.511 0.273 -5.810 1.00 0.00 H new ATOM 0 HG1 THR A 41 12.976 -1.296 -7.073 1.00 0.00 H new ATOM 0 HG21 THR A 41 16.489 -0.571 -7.031 1.00 0.00 H new ATOM 0 HG22 THR A 41 16.601 -0.898 -5.285 1.00 0.00 H new ATOM 0 HG23 THR A 41 16.164 -2.207 -6.409 1.00 0.00 H new ATOM 657 N TRP A 42 11.565 -1.256 -4.739 1.00 0.00 N ATOM 658 CA TRP A 42 10.329 -0.720 -4.183 1.00 0.00 C ATOM 659 C TRP A 42 10.069 -1.335 -2.812 1.00 0.00 C ATOM 660 O TRP A 42 9.678 -0.651 -1.869 1.00 0.00 O ATOM 661 CB TRP A 42 9.142 -1.016 -5.105 1.00 0.00 C ATOM 662 CG TRP A 42 9.209 -0.334 -6.438 1.00 0.00 C ATOM 663 CD1 TRP A 42 9.981 0.736 -6.778 1.00 0.00 C ATOM 664 CD2 TRP A 42 8.456 -0.676 -7.606 1.00 0.00 C ATOM 665 NE1 TRP A 42 9.750 1.085 -8.086 1.00 0.00 N ATOM 666 CE2 TRP A 42 8.816 0.232 -8.616 1.00 0.00 C ATOM 667 CE3 TRP A 42 7.508 -1.665 -7.892 1.00 0.00 C ATOM 668 CZ2 TRP A 42 8.263 0.183 -9.894 1.00 0.00 C ATOM 669 CZ3 TRP A 42 6.960 -1.713 -9.162 1.00 0.00 C ATOM 670 CH2 TRP A 42 7.337 -0.794 -10.146 1.00 0.00 C ATOM 0 H TRP A 42 11.431 -1.969 -5.456 1.00 0.00 H new ATOM 0 HA TRP A 42 10.438 0.360 -4.089 1.00 0.00 H new ATOM 0 HB2 TRP A 42 9.081 -2.093 -5.264 1.00 0.00 H new ATOM 0 HB3 TRP A 42 8.223 -0.715 -4.602 1.00 0.00 H new ATOM 0 HD1 TRP A 42 10.673 1.236 -6.116 1.00 0.00 H new ATOM 0 HE1 TRP A 42 10.200 1.854 -8.583 1.00 0.00 H new ATOM 0 HE3 TRP A 42 7.210 -2.377 -7.136 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 8.554 0.889 -10.658 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 6.229 -2.473 -9.397 1.00 0.00 H new ATOM 0 HH2 TRP A 42 6.888 -0.856 -11.126 1.00 0.00 H new ATOM 681 N CYS A 43 10.310 -2.638 -2.716 1.00 0.00 N ATOM 682 CA CYS A 43 10.069 -3.392 -1.494 1.00 0.00 C ATOM 683 C CYS A 43 10.993 -2.927 -0.371 1.00 0.00 C ATOM 684 O CYS A 43 10.649 -3.018 0.807 1.00 0.00 O ATOM 685 CB CYS A 43 10.275 -4.886 -1.766 1.00 0.00 C ATOM 686 SG CYS A 43 9.656 -5.984 -0.469 1.00 0.00 S ATOM 0 H CYS A 43 10.678 -3.200 -3.484 1.00 0.00 H new ATOM 0 HA CYS A 43 9.041 -3.219 -1.175 1.00 0.00 H new ATOM 0 HB2 CYS A 43 9.783 -5.142 -2.705 1.00 0.00 H new ATOM 0 HB3 CYS A 43 11.340 -5.073 -1.903 1.00 0.00 H new ATOM 0 HG CYS A 43 10.375 -7.067 -0.437 1.00 0.00 H new ATOM 692 N LYS A 44 12.169 -2.442 -0.745 1.00 0.00 N ATOM 693 CA LYS A 44 13.126 -1.923 0.217 1.00 0.00 C ATOM 694 C LYS A 44 12.915 -0.436 0.483 1.00 0.00 C ATOM 695 O LYS A 44 13.680 0.179 1.225 1.00 0.00 O ATOM 696 CB LYS A 44 14.545 -2.180 -0.281 1.00 0.00 C ATOM 697 CG LYS A 44 15.135 -3.479 0.234 1.00 0.00 C ATOM 698 CD LYS A 44 15.418 -3.398 1.729 1.00 0.00 C ATOM 699 CE LYS A 44 15.920 -4.718 2.290 1.00 0.00 C ATOM 700 NZ LYS A 44 14.903 -5.798 2.188 1.00 0.00 N ATOM 0 H LYS A 44 12.483 -2.398 -1.715 1.00 0.00 H new ATOM 0 HA LYS A 44 12.972 -2.444 1.162 1.00 0.00 H new ATOM 0 HB2 LYS A 44 14.543 -2.197 -1.371 1.00 0.00 H new ATOM 0 HB3 LYS A 44 15.185 -1.352 0.024 1.00 0.00 H new ATOM 0 HG2 LYS A 44 14.445 -4.299 0.035 1.00 0.00 H new ATOM 0 HG3 LYS A 44 16.058 -3.701 -0.302 1.00 0.00 H new ATOM 0 HD2 LYS A 44 16.159 -2.621 1.915 1.00 0.00 H new ATOM 0 HD3 LYS A 44 14.509 -3.104 2.254 1.00 0.00 H new ATOM 0 HE2 LYS A 44 16.821 -5.019 1.755 1.00 0.00 H new ATOM 0 HE3 LYS A 44 16.200 -4.583 3.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 15.197 -6.608 2.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 13.985 -5.443 2.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 14.815 -6.099 1.197 1.00 0.00 H new ATOM 714 N GLY A 45 11.877 0.133 -0.122 1.00 0.00 N ATOM 715 CA GLY A 45 11.569 1.537 0.085 1.00 0.00 C ATOM 716 C GLY A 45 12.673 2.458 -0.393 1.00 0.00 C ATOM 717 O GLY A 45 12.859 3.549 0.147 1.00 0.00 O ATOM 0 H GLY A 45 11.242 -0.355 -0.754 1.00 0.00 H new ATOM 0 HA2 GLY A 45 10.645 1.782 -0.439 1.00 0.00 H new ATOM 0 HA3 GLY A 45 11.390 1.712 1.146 1.00 0.00 H new ATOM 721 N ILE A 46 13.410 2.018 -1.406 1.00 0.00 N ATOM 722 CA ILE A 46 14.488 2.813 -1.966 1.00 0.00 C ATOM 723 C ILE A 46 13.910 3.916 -2.838 1.00 0.00 C ATOM 724 O ILE A 46 14.350 5.066 -2.789 1.00 0.00 O ATOM 725 CB ILE A 46 15.457 1.949 -2.801 1.00 0.00 C ATOM 726 CG1 ILE A 46 16.043 0.833 -1.934 1.00 0.00 C ATOM 727 CG2 ILE A 46 16.572 2.804 -3.392 1.00 0.00 C ATOM 728 CD1 ILE A 46 16.933 -0.128 -2.691 1.00 0.00 C ATOM 0 H ILE A 46 13.278 1.112 -1.855 1.00 0.00 H new ATOM 0 HA ILE A 46 15.050 3.246 -1.139 1.00 0.00 H new ATOM 0 HB ILE A 46 14.900 1.502 -3.624 1.00 0.00 H new ATOM 0 HG12 ILE A 46 16.616 1.280 -1.122 1.00 0.00 H new ATOM 0 HG13 ILE A 46 15.226 0.274 -1.478 1.00 0.00 H new ATOM 0 HG21 ILE A 46 17.243 2.174 -3.976 1.00 0.00 H new ATOM 0 HG22 ILE A 46 16.140 3.570 -4.036 1.00 0.00 H new ATOM 0 HG23 ILE A 46 17.131 3.280 -2.587 1.00 0.00 H new ATOM 0 HD11 ILE A 46 17.310 -0.890 -2.008 1.00 0.00 H new ATOM 0 HD12 ILE A 46 16.360 -0.605 -3.486 1.00 0.00 H new ATOM 0 HD13 ILE A 46 17.771 0.417 -3.125 1.00 0.00 H new ATOM 740 N ALA A 47 12.901 3.559 -3.613 1.00 0.00 N ATOM 741 CA ALA A 47 12.224 4.506 -4.479 1.00 0.00 C ATOM 742 C ALA A 47 10.743 4.177 -4.564 1.00 0.00 C ATOM 743 O ALA A 47 10.366 3.010 -4.649 1.00 0.00 O ATOM 744 CB ALA A 47 12.850 4.500 -5.869 1.00 0.00 C ATOM 0 H ALA A 47 12.530 2.610 -3.659 1.00 0.00 H new ATOM 0 HA ALA A 47 12.335 5.504 -4.055 1.00 0.00 H new ATOM 0 HB1 ALA A 47 12.330 5.216 -6.505 1.00 0.00 H new ATOM 0 HB2 ALA A 47 13.902 4.777 -5.796 1.00 0.00 H new ATOM 0 HB3 ALA A 47 12.767 3.503 -6.301 1.00 0.00 H new ATOM 750 N ILE A 48 9.910 5.202 -4.508 1.00 0.00 N ATOM 751 CA ILE A 48 8.482 5.022 -4.693 1.00 0.00 C ATOM 752 C ILE A 48 8.127 5.232 -6.157 1.00 0.00 C ATOM 753 O ILE A 48 8.387 6.298 -6.718 1.00 0.00 O ATOM 754 CB ILE A 48 7.666 5.985 -3.802 1.00 0.00 C ATOM 755 CG1 ILE A 48 7.947 5.694 -2.329 1.00 0.00 C ATOM 756 CG2 ILE A 48 6.175 5.857 -4.091 1.00 0.00 C ATOM 757 CD1 ILE A 48 7.337 6.698 -1.375 1.00 0.00 C ATOM 0 H ILE A 48 10.198 6.165 -4.336 1.00 0.00 H new ATOM 0 HA ILE A 48 8.226 4.005 -4.396 1.00 0.00 H new ATOM 0 HB ILE A 48 7.969 7.007 -4.027 1.00 0.00 H new ATOM 0 HG12 ILE A 48 7.568 4.701 -2.087 1.00 0.00 H new ATOM 0 HG13 ILE A 48 9.026 5.670 -2.174 1.00 0.00 H new ATOM 0 HG21 ILE A 48 5.620 6.544 -3.452 1.00 0.00 H new ATOM 0 HG22 ILE A 48 5.985 6.100 -5.136 1.00 0.00 H new ATOM 0 HG23 ILE A 48 5.852 4.835 -3.891 1.00 0.00 H new ATOM 0 HD11 ILE A 48 7.582 6.421 -0.350 1.00 0.00 H new ATOM 0 HD12 ILE A 48 7.735 7.690 -1.588 1.00 0.00 H new ATOM 0 HD13 ILE A 48 6.254 6.707 -1.500 1.00 0.00 H new ATOM 769 N PRO A 49 7.549 4.210 -6.795 1.00 0.00 N ATOM 770 CA PRO A 49 7.208 4.252 -8.216 1.00 0.00 C ATOM 771 C PRO A 49 6.228 5.374 -8.532 1.00 0.00 C ATOM 772 O PRO A 49 5.422 5.769 -7.686 1.00 0.00 O ATOM 773 CB PRO A 49 6.575 2.879 -8.477 1.00 0.00 C ATOM 774 CG PRO A 49 6.138 2.405 -7.134 1.00 0.00 C ATOM 775 CD PRO A 49 7.166 2.936 -6.175 1.00 0.00 C ATOM 0 HA PRO A 49 8.077 4.449 -8.844 1.00 0.00 H new ATOM 0 HB2 PRO A 49 5.732 2.955 -9.164 1.00 0.00 H new ATOM 0 HB3 PRO A 49 7.291 2.191 -8.926 1.00 0.00 H new ATOM 0 HG2 PRO A 49 5.143 2.777 -6.890 1.00 0.00 H new ATOM 0 HG3 PRO A 49 6.090 1.317 -7.097 1.00 0.00 H new ATOM 0 HD2 PRO A 49 6.754 3.078 -5.176 1.00 0.00 H new ATOM 0 HD3 PRO A 49 8.016 2.261 -6.076 1.00 0.00 H new ATOM 783 N ARG A 50 6.314 5.894 -9.746 1.00 0.00 N ATOM 784 CA ARG A 50 5.470 7.003 -10.166 1.00 0.00 C ATOM 785 C ARG A 50 4.011 6.559 -10.232 1.00 0.00 C ATOM 786 O ARG A 50 3.730 5.359 -10.290 1.00 0.00 O ATOM 787 CB ARG A 50 5.953 7.539 -11.516 1.00 0.00 C ATOM 788 CG ARG A 50 7.449 7.815 -11.540 1.00 0.00 C ATOM 789 CD ARG A 50 7.913 8.343 -12.884 1.00 0.00 C ATOM 790 NE ARG A 50 7.515 9.734 -13.101 1.00 0.00 N ATOM 791 CZ ARG A 50 8.242 10.615 -13.788 1.00 0.00 C ATOM 792 NH1 ARG A 50 9.417 10.267 -14.295 1.00 0.00 N ATOM 793 NH2 ARG A 50 7.801 11.857 -13.948 1.00 0.00 N ATOM 0 H ARG A 50 6.962 5.565 -10.461 1.00 0.00 H new ATOM 0 HA ARG A 50 5.539 7.809 -9.436 1.00 0.00 H new ATOM 0 HB2 ARG A 50 5.709 6.818 -12.296 1.00 0.00 H new ATOM 0 HB3 ARG A 50 5.415 8.457 -11.751 1.00 0.00 H new ATOM 0 HG2 ARG A 50 7.696 8.538 -10.763 1.00 0.00 H new ATOM 0 HG3 ARG A 50 7.990 6.898 -11.306 1.00 0.00 H new ATOM 0 HD2 ARG A 50 8.998 8.264 -12.948 1.00 0.00 H new ATOM 0 HD3 ARG A 50 7.500 7.721 -13.678 1.00 0.00 H new ATOM 0 HE ARG A 50 6.630 10.048 -12.703 1.00 0.00 H new ATOM 0 HH11 ARG A 50 9.770 9.320 -14.160 1.00 0.00 H new ATOM 0 HH12 ARG A 50 9.968 10.947 -14.820 1.00 0.00 H new ATOM 0 HH21 ARG A 50 6.906 12.136 -13.545 1.00 0.00 H new ATOM 0 HH22 ARG A 50 8.357 12.532 -14.474 1.00 0.00 H new ATOM 807 N MET A 51 3.092 7.522 -10.234 1.00 0.00 N ATOM 808 CA MET A 51 1.662 7.227 -10.111 1.00 0.00 C ATOM 809 C MET A 51 1.177 6.278 -11.208 1.00 0.00 C ATOM 810 O MET A 51 0.259 5.489 -10.986 1.00 0.00 O ATOM 811 CB MET A 51 0.834 8.526 -10.094 1.00 0.00 C ATOM 812 CG MET A 51 0.826 9.309 -11.402 1.00 0.00 C ATOM 813 SD MET A 51 -0.415 8.704 -12.575 1.00 0.00 S ATOM 814 CE MET A 51 -1.919 8.920 -11.617 1.00 0.00 C ATOM 0 H MET A 51 3.310 8.515 -10.319 1.00 0.00 H new ATOM 0 HA MET A 51 1.516 6.716 -9.159 1.00 0.00 H new ATOM 0 HB2 MET A 51 -0.195 8.279 -9.831 1.00 0.00 H new ATOM 0 HB3 MET A 51 1.218 9.172 -9.305 1.00 0.00 H new ATOM 0 HG2 MET A 51 0.636 10.361 -11.189 1.00 0.00 H new ATOM 0 HG3 MET A 51 1.813 9.250 -11.861 1.00 0.00 H new ATOM 0 HE1 MET A 51 -2.751 9.133 -12.289 1.00 0.00 H new ATOM 0 HE2 MET A 51 -2.128 8.008 -11.058 1.00 0.00 H new ATOM 0 HE3 MET A 51 -1.792 9.750 -10.922 1.00 0.00 H new ATOM 824 N GLY A 52 1.819 6.330 -12.371 1.00 0.00 N ATOM 825 CA GLY A 52 1.445 5.451 -13.465 1.00 0.00 C ATOM 826 C GLY A 52 1.766 3.998 -13.173 1.00 0.00 C ATOM 827 O GLY A 52 1.097 3.093 -13.669 1.00 0.00 O ATOM 0 H GLY A 52 2.591 6.964 -12.576 1.00 0.00 H new ATOM 0 HA2 GLY A 52 0.378 5.552 -13.661 1.00 0.00 H new ATOM 0 HA3 GLY A 52 1.966 5.761 -14.371 1.00 0.00 H new ATOM 831 N LYS A 53 2.783 3.774 -12.351 1.00 0.00 N ATOM 832 CA LYS A 53 3.185 2.424 -11.983 1.00 0.00 C ATOM 833 C LYS A 53 2.384 1.947 -10.779 1.00 0.00 C ATOM 834 O LYS A 53 2.076 0.760 -10.655 1.00 0.00 O ATOM 835 CB LYS A 53 4.685 2.372 -11.681 1.00 0.00 C ATOM 836 CG LYS A 53 5.451 1.402 -12.568 1.00 0.00 C ATOM 837 CD LYS A 53 5.309 1.763 -14.037 1.00 0.00 C ATOM 838 CE LYS A 53 6.055 0.783 -14.927 1.00 0.00 C ATOM 839 NZ LYS A 53 5.893 1.112 -16.367 1.00 0.00 N ATOM 0 H LYS A 53 3.345 4.512 -11.926 1.00 0.00 H new ATOM 0 HA LYS A 53 2.982 1.761 -12.824 1.00 0.00 H new ATOM 0 HB2 LYS A 53 5.106 3.370 -11.800 1.00 0.00 H new ATOM 0 HB3 LYS A 53 4.828 2.088 -10.638 1.00 0.00 H new ATOM 0 HG2 LYS A 53 6.505 1.408 -12.291 1.00 0.00 H new ATOM 0 HG3 LYS A 53 5.084 0.389 -12.404 1.00 0.00 H new ATOM 0 HD2 LYS A 53 4.254 1.773 -14.310 1.00 0.00 H new ATOM 0 HD3 LYS A 53 5.691 2.770 -14.204 1.00 0.00 H new ATOM 0 HE2 LYS A 53 7.114 0.791 -14.669 1.00 0.00 H new ATOM 0 HE3 LYS A 53 5.690 -0.227 -14.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 6.416 0.421 -16.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 4.885 1.079 -16.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 6.265 2.066 -16.549 1.00 0.00 H new ATOM 853 N VAL A 54 2.039 2.882 -9.901 1.00 0.00 N ATOM 854 CA VAL A 54 1.214 2.579 -8.737 1.00 0.00 C ATOM 855 C VAL A 54 -0.160 2.083 -9.182 1.00 0.00 C ATOM 856 O VAL A 54 -0.741 1.192 -8.563 1.00 0.00 O ATOM 857 CB VAL A 54 1.045 3.811 -7.820 1.00 0.00 C ATOM 858 CG1 VAL A 54 0.215 3.463 -6.591 1.00 0.00 C ATOM 859 CG2 VAL A 54 2.401 4.363 -7.409 1.00 0.00 C ATOM 0 H VAL A 54 2.319 3.860 -9.974 1.00 0.00 H new ATOM 0 HA VAL A 54 1.722 1.800 -8.169 1.00 0.00 H new ATOM 0 HB VAL A 54 0.515 4.581 -8.381 1.00 0.00 H new ATOM 0 HG11 VAL A 54 0.110 4.346 -5.961 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -0.772 3.121 -6.903 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.712 2.673 -6.028 1.00 0.00 H new ATOM 0 HG21 VAL A 54 2.260 5.230 -6.764 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.958 3.596 -6.870 1.00 0.00 H new ATOM 0 HG23 VAL A 54 2.958 4.659 -8.298 1.00 0.00 H new ATOM 869 N GLN A 55 -0.662 2.658 -10.274 1.00 0.00 N ATOM 870 CA GLN A 55 -1.939 2.240 -10.846 1.00 0.00 C ATOM 871 C GLN A 55 -1.926 0.757 -11.197 1.00 0.00 C ATOM 872 O GLN A 55 -2.885 0.040 -10.921 1.00 0.00 O ATOM 873 CB GLN A 55 -2.271 3.070 -12.088 1.00 0.00 C ATOM 874 CG GLN A 55 -2.659 4.506 -11.776 1.00 0.00 C ATOM 875 CD GLN A 55 -3.917 4.593 -10.931 1.00 0.00 C ATOM 876 OE1 GLN A 55 -5.026 4.653 -11.459 1.00 0.00 O ATOM 877 NE2 GLN A 55 -3.754 4.611 -9.616 1.00 0.00 N ATOM 0 H GLN A 55 -0.203 3.415 -10.780 1.00 0.00 H new ATOM 0 HA GLN A 55 -2.710 2.407 -10.094 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -1.408 3.072 -12.754 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -3.088 2.591 -12.627 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -1.838 4.996 -11.253 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -2.812 5.049 -12.708 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -2.816 4.559 -9.218 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -4.566 4.677 -9.002 1.00 0.00 H new ATOM 886 N ALA A 56 -0.832 0.298 -11.789 1.00 0.00 N ATOM 887 CA ALA A 56 -0.697 -1.101 -12.162 1.00 0.00 C ATOM 888 C ALA A 56 -0.712 -1.995 -10.923 1.00 0.00 C ATOM 889 O ALA A 56 -1.399 -3.018 -10.896 1.00 0.00 O ATOM 890 CB ALA A 56 0.580 -1.316 -12.954 1.00 0.00 C ATOM 0 H ALA A 56 -0.024 0.876 -12.021 1.00 0.00 H new ATOM 0 HA ALA A 56 -1.546 -1.372 -12.789 1.00 0.00 H new ATOM 0 HB1 ALA A 56 0.667 -2.368 -13.226 1.00 0.00 H new ATOM 0 HB2 ALA A 56 0.554 -0.708 -13.859 1.00 0.00 H new ATOM 0 HB3 ALA A 56 1.438 -1.026 -12.347 1.00 0.00 H new ATOM 896 N LEU A 57 0.038 -1.588 -9.898 1.00 0.00 N ATOM 897 CA LEU A 57 0.106 -2.337 -8.645 1.00 0.00 C ATOM 898 C LEU A 57 -1.261 -2.395 -7.971 1.00 0.00 C ATOM 899 O LEU A 57 -1.731 -3.469 -7.586 1.00 0.00 O ATOM 900 CB LEU A 57 1.124 -1.691 -7.700 1.00 0.00 C ATOM 901 CG LEU A 57 2.579 -1.753 -8.165 1.00 0.00 C ATOM 902 CD1 LEU A 57 3.472 -0.957 -7.222 1.00 0.00 C ATOM 903 CD2 LEU A 57 3.053 -3.199 -8.257 1.00 0.00 C ATOM 0 H LEU A 57 0.608 -0.742 -9.912 1.00 0.00 H new ATOM 0 HA LEU A 57 0.422 -3.355 -8.874 1.00 0.00 H new ATOM 0 HB2 LEU A 57 0.850 -0.646 -7.557 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.050 -2.176 -6.727 1.00 0.00 H new ATOM 0 HG LEU A 57 2.642 -1.309 -9.159 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.505 -1.011 -7.567 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.149 0.084 -7.206 1.00 0.00 H new ATOM 0 HD13 LEU A 57 3.403 -1.373 -6.217 1.00 0.00 H new ATOM 0 HD21 LEU A 57 4.091 -3.221 -8.590 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.976 -3.670 -7.277 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.432 -3.741 -8.970 1.00 0.00 H new ATOM 915 N ALA A 58 -1.899 -1.236 -7.847 1.00 0.00 N ATOM 916 CA ALA A 58 -3.198 -1.134 -7.197 1.00 0.00 C ATOM 917 C ALA A 58 -4.253 -1.934 -7.947 1.00 0.00 C ATOM 918 O ALA A 58 -5.106 -2.574 -7.339 1.00 0.00 O ATOM 919 CB ALA A 58 -3.619 0.323 -7.084 1.00 0.00 C ATOM 0 H ALA A 58 -1.533 -0.348 -8.191 1.00 0.00 H new ATOM 0 HA ALA A 58 -3.108 -1.554 -6.195 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -4.592 0.384 -6.596 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -2.883 0.870 -6.495 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -3.685 0.761 -8.080 1.00 0.00 H new ATOM 925 N ASP A 59 -4.173 -1.911 -9.271 1.00 0.00 N ATOM 926 CA ASP A 59 -5.143 -2.601 -10.117 1.00 0.00 C ATOM 927 C ASP A 59 -4.993 -4.109 -9.984 1.00 0.00 C ATOM 928 O ASP A 59 -5.982 -4.839 -9.933 1.00 0.00 O ATOM 929 CB ASP A 59 -4.960 -2.186 -11.580 1.00 0.00 C ATOM 930 CG ASP A 59 -6.011 -2.781 -12.497 1.00 0.00 C ATOM 931 OD1 ASP A 59 -5.835 -3.932 -12.947 1.00 0.00 O ATOM 932 OD2 ASP A 59 -7.011 -2.093 -12.790 1.00 0.00 O ATOM 0 H ASP A 59 -3.443 -1.420 -9.786 1.00 0.00 H new ATOM 0 HA ASP A 59 -6.144 -2.320 -9.790 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -4.996 -1.099 -11.651 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -3.971 -2.495 -11.919 1.00 0.00 H new ATOM 937 N TYR A 60 -3.746 -4.561 -9.911 1.00 0.00 N ATOM 938 CA TYR A 60 -3.439 -5.979 -9.781 1.00 0.00 C ATOM 939 C TYR A 60 -4.088 -6.559 -8.528 1.00 0.00 C ATOM 940 O TYR A 60 -4.664 -7.644 -8.559 1.00 0.00 O ATOM 941 CB TYR A 60 -1.921 -6.179 -9.725 1.00 0.00 C ATOM 942 CG TYR A 60 -1.486 -7.630 -9.684 1.00 0.00 C ATOM 943 CD1 TYR A 60 -1.430 -8.393 -10.845 1.00 0.00 C ATOM 944 CD2 TYR A 60 -1.128 -8.239 -8.485 1.00 0.00 C ATOM 945 CE1 TYR A 60 -1.034 -9.716 -10.813 1.00 0.00 C ATOM 946 CE2 TYR A 60 -0.731 -9.562 -8.445 1.00 0.00 C ATOM 947 CZ TYR A 60 -0.685 -10.296 -9.611 1.00 0.00 C ATOM 948 OH TYR A 60 -0.292 -11.615 -9.575 1.00 0.00 O ATOM 0 H TYR A 60 -2.924 -3.958 -9.940 1.00 0.00 H new ATOM 0 HA TYR A 60 -3.840 -6.502 -10.649 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -1.471 -5.701 -10.595 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -1.531 -5.670 -8.844 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -1.701 -7.943 -11.789 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -1.161 -7.667 -7.569 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -0.998 -10.294 -11.725 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -0.458 -10.019 -7.505 1.00 0.00 H new ATOM 0 HH TYR A 60 0.141 -11.804 -8.717 1.00 0.00 H new ATOM 958 N PHE A 61 -4.000 -5.822 -7.430 1.00 0.00 N ATOM 959 CA PHE A 61 -4.551 -6.281 -6.158 1.00 0.00 C ATOM 960 C PHE A 61 -6.017 -5.882 -6.017 1.00 0.00 C ATOM 961 O PHE A 61 -6.714 -6.367 -5.124 1.00 0.00 O ATOM 962 CB PHE A 61 -3.755 -5.700 -4.990 1.00 0.00 C ATOM 963 CG PHE A 61 -2.382 -6.288 -4.822 1.00 0.00 C ATOM 964 CD1 PHE A 61 -2.193 -7.426 -4.055 1.00 0.00 C ATOM 965 CD2 PHE A 61 -1.281 -5.698 -5.423 1.00 0.00 C ATOM 966 CE1 PHE A 61 -0.931 -7.966 -3.890 1.00 0.00 C ATOM 967 CE2 PHE A 61 -0.018 -6.234 -5.262 1.00 0.00 C ATOM 968 CZ PHE A 61 0.157 -7.369 -4.496 1.00 0.00 C ATOM 0 H PHE A 61 -3.554 -4.906 -7.392 1.00 0.00 H new ATOM 0 HA PHE A 61 -4.480 -7.369 -6.142 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -3.661 -4.623 -5.130 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -4.318 -5.854 -4.070 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -3.041 -7.897 -3.580 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -1.412 -4.810 -6.023 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -0.796 -8.853 -3.288 1.00 0.00 H new ATOM 0 HE2 PHE A 61 0.832 -5.765 -5.735 1.00 0.00 H new ATOM 0 HZ PHE A 61 1.144 -7.790 -4.371 1.00 0.00 H new ATOM 978 N ASN A 62 -6.466 -5.001 -6.906 1.00 0.00 N ATOM 979 CA ASN A 62 -7.807 -4.419 -6.841 1.00 0.00 C ATOM 980 C ASN A 62 -7.945 -3.593 -5.560 1.00 0.00 C ATOM 981 O ASN A 62 -8.892 -3.743 -4.785 1.00 0.00 O ATOM 982 CB ASN A 62 -8.891 -5.504 -6.936 1.00 0.00 C ATOM 983 CG ASN A 62 -10.283 -4.936 -7.171 1.00 0.00 C ATOM 984 OD1 ASN A 62 -10.671 -4.660 -8.307 1.00 0.00 O ATOM 985 ND2 ASN A 62 -11.054 -4.794 -6.106 1.00 0.00 N ATOM 0 H ASN A 62 -5.911 -4.668 -7.694 1.00 0.00 H new ATOM 0 HA ASN A 62 -7.948 -3.759 -7.697 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -8.642 -6.188 -7.747 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -8.894 -6.088 -6.016 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -12.007 -4.445 -6.209 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -10.696 -5.034 -5.181 1.00 0.00 H new ATOM 992 N ILE A 63 -6.970 -2.726 -5.345 1.00 0.00 N ATOM 993 CA ILE A 63 -6.964 -1.828 -4.202 1.00 0.00 C ATOM 994 C ILE A 63 -6.787 -0.392 -4.679 1.00 0.00 C ATOM 995 O ILE A 63 -6.737 -0.138 -5.885 1.00 0.00 O ATOM 996 CB ILE A 63 -5.840 -2.176 -3.197 1.00 0.00 C ATOM 997 CG1 ILE A 63 -4.469 -2.146 -3.884 1.00 0.00 C ATOM 998 CG2 ILE A 63 -6.096 -3.537 -2.565 1.00 0.00 C ATOM 999 CD1 ILE A 63 -3.306 -2.371 -2.942 1.00 0.00 C ATOM 0 H ILE A 63 -6.161 -2.625 -5.957 1.00 0.00 H new ATOM 0 HA ILE A 63 -7.919 -1.942 -3.689 1.00 0.00 H new ATOM 0 HB ILE A 63 -5.839 -1.424 -2.408 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -4.447 -2.909 -4.662 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -4.342 -1.183 -4.378 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -5.297 -3.767 -1.861 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -7.050 -3.520 -2.038 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -6.125 -4.300 -3.343 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -2.372 -2.335 -3.502 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -3.301 -1.593 -2.178 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -3.407 -3.346 -2.466 1.00 0.00 H new ATOM 1011 N ASN A 64 -6.689 0.540 -3.746 1.00 0.00 N ATOM 1012 CA ASN A 64 -6.533 1.944 -4.102 1.00 0.00 C ATOM 1013 C ASN A 64 -5.077 2.358 -3.962 1.00 0.00 C ATOM 1014 O ASN A 64 -4.322 1.739 -3.213 1.00 0.00 O ATOM 1015 CB ASN A 64 -7.410 2.824 -3.210 1.00 0.00 C ATOM 1016 CG ASN A 64 -7.776 4.140 -3.868 1.00 0.00 C ATOM 1017 OD1 ASN A 64 -7.761 4.264 -5.091 1.00 0.00 O ATOM 1018 ND2 ASN A 64 -8.122 5.129 -3.062 1.00 0.00 N ATOM 0 H ASN A 64 -6.714 0.354 -2.743 1.00 0.00 H new ATOM 0 HA ASN A 64 -6.845 2.075 -5.138 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -8.322 2.283 -2.956 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -6.886 3.023 -2.275 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -8.389 6.034 -3.450 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -8.122 4.987 -2.052 1.00 0.00 H new ATOM 1025 N LYS A 65 -4.685 3.406 -4.674 1.00 0.00 N ATOM 1026 CA LYS A 65 -3.320 3.910 -4.596 1.00 0.00 C ATOM 1027 C LYS A 65 -3.010 4.394 -3.180 1.00 0.00 C ATOM 1028 O LYS A 65 -1.871 4.328 -2.726 1.00 0.00 O ATOM 1029 CB LYS A 65 -3.090 5.037 -5.613 1.00 0.00 C ATOM 1030 CG LYS A 65 -3.918 6.288 -5.363 1.00 0.00 C ATOM 1031 CD LYS A 65 -3.662 7.334 -6.436 1.00 0.00 C ATOM 1032 CE LYS A 65 -4.383 8.639 -6.138 1.00 0.00 C ATOM 1033 NZ LYS A 65 -5.848 8.449 -5.992 1.00 0.00 N ATOM 0 H LYS A 65 -5.291 3.923 -5.311 1.00 0.00 H new ATOM 0 HA LYS A 65 -2.642 3.092 -4.840 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -2.034 5.307 -5.605 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -3.315 4.661 -6.611 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -4.977 6.030 -5.347 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -3.675 6.700 -4.383 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -2.591 7.520 -6.513 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -3.989 6.951 -7.402 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -3.982 9.073 -5.222 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -4.189 9.351 -6.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -6.317 9.377 -5.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -6.210 7.907 -6.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -6.045 7.930 -5.112 1.00 0.00 H new ATOM 1047 N SER A 66 -4.043 4.862 -2.482 1.00 0.00 N ATOM 1048 CA SER A 66 -3.885 5.373 -1.128 1.00 0.00 C ATOM 1049 C SER A 66 -3.548 4.245 -0.158 1.00 0.00 C ATOM 1050 O SER A 66 -2.844 4.453 0.828 1.00 0.00 O ATOM 1051 CB SER A 66 -5.167 6.081 -0.682 1.00 0.00 C ATOM 1052 OG SER A 66 -6.305 5.268 -0.932 1.00 0.00 O ATOM 0 H SER A 66 -4.999 4.897 -2.836 1.00 0.00 H new ATOM 0 HA SER A 66 -3.061 6.087 -1.125 1.00 0.00 H new ATOM 0 HB2 SER A 66 -5.108 6.315 0.381 1.00 0.00 H new ATOM 0 HB3 SER A 66 -5.268 7.028 -1.212 1.00 0.00 H new ATOM 0 HG SER A 66 -7.051 5.569 -0.373 1.00 0.00 H new ATOM 1058 N ASP A 67 -4.036 3.047 -0.474 1.00 0.00 N ATOM 1059 CA ASP A 67 -3.872 1.881 0.392 1.00 0.00 C ATOM 1060 C ASP A 67 -2.402 1.495 0.522 1.00 0.00 C ATOM 1061 O ASP A 67 -2.002 0.843 1.487 1.00 0.00 O ATOM 1062 CB ASP A 67 -4.672 0.687 -0.156 1.00 0.00 C ATOM 1063 CG ASP A 67 -6.142 1.007 -0.391 1.00 0.00 C ATOM 1064 OD1 ASP A 67 -6.611 2.079 0.048 1.00 0.00 O ATOM 1065 OD2 ASP A 67 -6.835 0.191 -1.043 1.00 0.00 O ATOM 0 H ASP A 67 -4.553 2.858 -1.332 1.00 0.00 H new ATOM 0 HA ASP A 67 -4.251 2.146 1.379 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -4.224 0.358 -1.094 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -4.595 -0.145 0.544 1.00 0.00 H new ATOM 1070 N LEU A 68 -1.609 1.879 -0.468 1.00 0.00 N ATOM 1071 CA LEU A 68 -0.179 1.589 -0.464 1.00 0.00 C ATOM 1072 C LEU A 68 0.619 2.749 0.130 1.00 0.00 C ATOM 1073 O LEU A 68 1.668 2.545 0.740 1.00 0.00 O ATOM 1074 CB LEU A 68 0.307 1.317 -1.892 1.00 0.00 C ATOM 1075 CG LEU A 68 -0.282 0.075 -2.559 1.00 0.00 C ATOM 1076 CD1 LEU A 68 0.145 0.004 -4.016 1.00 0.00 C ATOM 1077 CD2 LEU A 68 0.151 -1.181 -1.820 1.00 0.00 C ATOM 0 H LEU A 68 -1.931 2.394 -1.287 1.00 0.00 H new ATOM 0 HA LEU A 68 -0.020 0.705 0.154 1.00 0.00 H new ATOM 0 HB2 LEU A 68 0.074 2.185 -2.509 1.00 0.00 H new ATOM 0 HB3 LEU A 68 1.393 1.220 -1.876 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.369 0.144 -2.518 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -0.282 -0.886 -4.477 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -0.208 0.891 -4.542 1.00 0.00 H new ATOM 0 HD13 LEU A 68 1.232 -0.044 -4.075 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -0.277 -2.056 -2.308 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.238 -1.254 -1.833 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -0.197 -1.134 -0.788 1.00 0.00 H new ATOM 1089 N ILE A 69 0.112 3.958 -0.044 1.00 0.00 N ATOM 1090 CA ILE A 69 0.862 5.158 0.306 1.00 0.00 C ATOM 1091 C ILE A 69 0.617 5.594 1.752 1.00 0.00 C ATOM 1092 O ILE A 69 1.563 5.849 2.498 1.00 0.00 O ATOM 1093 CB ILE A 69 0.507 6.327 -0.639 1.00 0.00 C ATOM 1094 CG1 ILE A 69 0.788 5.950 -2.101 1.00 0.00 C ATOM 1095 CG2 ILE A 69 1.282 7.583 -0.257 1.00 0.00 C ATOM 1096 CD1 ILE A 69 2.252 5.697 -2.405 1.00 0.00 C ATOM 0 H ILE A 69 -0.817 4.137 -0.426 1.00 0.00 H new ATOM 0 HA ILE A 69 1.916 4.903 0.197 1.00 0.00 H new ATOM 0 HB ILE A 69 -0.558 6.533 -0.535 1.00 0.00 H new ATOM 0 HG12 ILE A 69 0.216 5.056 -2.351 1.00 0.00 H new ATOM 0 HG13 ILE A 69 0.427 6.750 -2.747 1.00 0.00 H new ATOM 0 HG21 ILE A 69 1.017 8.394 -0.935 1.00 0.00 H new ATOM 0 HG22 ILE A 69 1.032 7.868 0.765 1.00 0.00 H new ATOM 0 HG23 ILE A 69 2.352 7.386 -0.327 1.00 0.00 H new ATOM 0 HD11 ILE A 69 2.365 5.437 -3.457 1.00 0.00 H new ATOM 0 HD12 ILE A 69 2.829 6.596 -2.189 1.00 0.00 H new ATOM 0 HD13 ILE A 69 2.615 4.876 -1.787 1.00 0.00 H new