USER MOD reduce.3.24.130724 H: found=0, std=0, add=522, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 521 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= -0.04 X(o=-0.04,f=-0.04) USER MOD Single : A 7 GLN : amide:sc= 1.16 K(o=1.2,f=0) USER MOD Single : A 13 GLN : amide:sc= 0.581 K(o=0.58,f=0) USER MOD Single : A 19 CYS SG : rot 26:sc= 0.251 USER MOD Single : A 26 LYS NZ :NH3+ -160:sc= 2.36 (180deg=1.61) USER MOD Single : A 31 CYS SG : rot -62:sc= 0.0124 USER MOD Single : A 33 GLN : amide:sc= 0.574 K(o=0.57,f=0) USER MOD Single : A 34 TYR OH : rot 3:sc= 0.803 USER MOD Single : A 36 GLN : amide:sc= 0 K(o=0,f=-0.5) USER MOD Single : A 37 ASN : amide:sc= 0.791 K(o=0.79,f=0) USER MOD Single : A 41 MET CE :methyl 174:sc= -0.0163 (180deg=-0.0955) USER MOD Single : A 49 CYS SG : rot 170:sc= 0.0106 USER MOD Single : A 50 THR OG1 : rot 75:sc= 0.988 USER MOD Single : A 51 SER OG : rot 78:sc= 0.631 USER MOD Single : A 52 THR OG1 : rot -76:sc= 0.409 USER MOD Single : A 53 HIS : no HE2:sc= 0.869 K(o=0.87,f=-2.7!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.124 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 64 SER OG : rot 74:sc= 0.857 USER MOD Single : A 67 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 146:sc= 1.21 (180deg=0.639) USER MOD ----------------------------------------------------------------- ATOM 39 N SER A 4 9.837 0.753 1.595 1.00 0.00 N ATOM 40 CA SER A 4 10.808 1.390 0.678 1.00 0.00 C ATOM 41 C SER A 4 12.039 1.978 1.398 1.00 0.00 C ATOM 42 O SER A 4 11.926 2.834 2.277 1.00 0.00 O ATOM 43 CB SER A 4 10.177 2.455 -0.230 1.00 0.00 C ATOM 44 OG SER A 4 11.114 2.879 -1.210 1.00 0.00 O ATOM 0 HA SER A 4 11.151 0.569 0.048 1.00 0.00 H new ATOM 0 HB2 SER A 4 9.289 2.050 -0.716 1.00 0.00 H new ATOM 0 HB3 SER A 4 9.853 3.307 0.367 1.00 0.00 H new ATOM 0 HG SER A 4 10.702 3.557 -1.785 1.00 0.00 H new ATOM 50 N ALA A 5 13.242 1.571 0.973 1.00 0.00 N ATOM 51 CA ALA A 5 14.503 2.105 1.496 1.00 0.00 C ATOM 52 C ALA A 5 14.689 3.591 1.151 1.00 0.00 C ATOM 53 O ALA A 5 15.265 4.336 1.943 1.00 0.00 O ATOM 54 CB ALA A 5 15.645 1.234 0.949 1.00 0.00 C ATOM 0 H ALA A 5 13.367 0.859 0.254 1.00 0.00 H new ATOM 0 HA ALA A 5 14.499 2.063 2.585 1.00 0.00 H new ATOM 0 HB1 ALA A 5 16.599 1.608 1.322 1.00 0.00 H new ATOM 0 HB2 ALA A 5 15.506 0.204 1.277 1.00 0.00 H new ATOM 0 HB3 ALA A 5 15.642 1.272 -0.140 1.00 0.00 H new ATOM 60 N GLN A 6 14.147 4.041 0.011 1.00 0.00 N ATOM 61 CA GLN A 6 14.184 5.439 -0.417 1.00 0.00 C ATOM 62 C GLN A 6 13.298 6.340 0.460 1.00 0.00 C ATOM 63 O GLN A 6 13.558 7.540 0.541 1.00 0.00 O ATOM 64 CB GLN A 6 13.762 5.536 -1.899 1.00 0.00 C ATOM 65 CG GLN A 6 14.678 4.777 -2.877 1.00 0.00 C ATOM 66 CD GLN A 6 16.119 5.303 -2.869 1.00 0.00 C ATOM 67 OE1 GLN A 6 16.442 6.318 -3.468 1.00 0.00 O ATOM 68 NE2 GLN A 6 17.035 4.644 -2.182 1.00 0.00 N ATOM 0 H GLN A 6 13.663 3.431 -0.648 1.00 0.00 H new ATOM 0 HA GLN A 6 15.207 5.798 -0.304 1.00 0.00 H new ATOM 0 HB2 GLN A 6 12.747 5.152 -2.000 1.00 0.00 H new ATOM 0 HB3 GLN A 6 13.735 6.587 -2.188 1.00 0.00 H new ATOM 0 HG2 GLN A 6 14.681 3.718 -2.618 1.00 0.00 H new ATOM 0 HG3 GLN A 6 14.272 4.858 -3.885 1.00 0.00 H new ATOM 0 HE21 GLN A 6 16.781 3.795 -1.677 1.00 0.00 H new ATOM 0 HE22 GLN A 6 17.996 4.984 -2.157 1.00 0.00 H new ATOM 77 N GLN A 7 12.288 5.782 1.141 1.00 0.00 N ATOM 78 CA GLN A 7 11.463 6.498 2.118 1.00 0.00 C ATOM 79 C GLN A 7 12.063 6.400 3.531 1.00 0.00 C ATOM 80 O GLN A 7 12.151 7.406 4.232 1.00 0.00 O ATOM 81 CB GLN A 7 10.032 5.936 2.058 1.00 0.00 C ATOM 82 CG GLN A 7 9.031 6.764 2.881 1.00 0.00 C ATOM 83 CD GLN A 7 7.580 6.377 2.573 1.00 0.00 C ATOM 84 OE1 GLN A 7 7.018 6.751 1.545 1.00 0.00 O ATOM 85 NE2 GLN A 7 6.909 5.636 3.430 1.00 0.00 N ATOM 0 H GLN A 7 12.019 4.805 1.025 1.00 0.00 H new ATOM 0 HA GLN A 7 11.437 7.559 1.872 1.00 0.00 H new ATOM 0 HB2 GLN A 7 9.703 5.904 1.019 1.00 0.00 H new ATOM 0 HB3 GLN A 7 10.034 4.909 2.424 1.00 0.00 H new ATOM 0 HG2 GLN A 7 9.228 6.620 3.943 1.00 0.00 H new ATOM 0 HG3 GLN A 7 9.177 7.824 2.671 1.00 0.00 H new ATOM 0 HE21 GLN A 7 7.358 5.316 4.288 1.00 0.00 H new ATOM 0 HE22 GLN A 7 5.940 5.382 3.236 1.00 0.00 H new ATOM 94 N LEU A 8 12.541 5.217 3.945 1.00 0.00 N ATOM 95 CA LEU A 8 13.152 5.000 5.265 1.00 0.00 C ATOM 96 C LEU A 8 14.421 5.857 5.457 1.00 0.00 C ATOM 97 O LEU A 8 14.643 6.391 6.546 1.00 0.00 O ATOM 98 CB LEU A 8 13.412 3.491 5.445 1.00 0.00 C ATOM 99 CG LEU A 8 13.746 3.094 6.901 1.00 0.00 C ATOM 100 CD1 LEU A 8 13.072 1.771 7.289 1.00 0.00 C ATOM 101 CD2 LEU A 8 15.258 2.969 7.135 1.00 0.00 C ATOM 0 H LEU A 8 12.514 4.376 3.368 1.00 0.00 H new ATOM 0 HA LEU A 8 12.467 5.328 6.047 1.00 0.00 H new ATOM 0 HB2 LEU A 8 12.532 2.937 5.118 1.00 0.00 H new ATOM 0 HB3 LEU A 8 14.236 3.192 4.797 1.00 0.00 H new ATOM 0 HG LEU A 8 13.360 3.897 7.529 1.00 0.00 H new ATOM 0 HD11 LEU A 8 13.327 1.521 8.319 1.00 0.00 H new ATOM 0 HD12 LEU A 8 11.991 1.873 7.198 1.00 0.00 H new ATOM 0 HD13 LEU A 8 13.419 0.978 6.626 1.00 0.00 H new ATOM 0 HD21 LEU A 8 15.444 2.689 8.172 1.00 0.00 H new ATOM 0 HD22 LEU A 8 15.667 2.205 6.474 1.00 0.00 H new ATOM 0 HD23 LEU A 8 15.739 3.925 6.926 1.00 0.00 H new ATOM 113 N ALA A 9 15.206 6.051 4.393 1.00 0.00 N ATOM 114 CA ALA A 9 16.407 6.894 4.388 1.00 0.00 C ATOM 115 C ALA A 9 16.137 8.377 4.709 1.00 0.00 C ATOM 116 O ALA A 9 17.049 9.069 5.171 1.00 0.00 O ATOM 117 CB ALA A 9 17.084 6.757 3.021 1.00 0.00 C ATOM 0 H ALA A 9 15.020 5.616 3.489 1.00 0.00 H new ATOM 0 HA ALA A 9 17.057 6.543 5.190 1.00 0.00 H new ATOM 0 HB1 ALA A 9 17.981 7.376 2.995 1.00 0.00 H new ATOM 0 HB2 ALA A 9 17.358 5.715 2.853 1.00 0.00 H new ATOM 0 HB3 ALA A 9 16.396 7.082 2.240 1.00 0.00 H new ATOM 123 N GLU A 10 14.909 8.870 4.508 1.00 0.00 N ATOM 124 CA GLU A 10 14.551 10.269 4.778 1.00 0.00 C ATOM 125 C GLU A 10 14.512 10.577 6.285 1.00 0.00 C ATOM 126 O GLU A 10 14.849 11.692 6.693 1.00 0.00 O ATOM 127 CB GLU A 10 13.200 10.645 4.148 1.00 0.00 C ATOM 128 CG GLU A 10 13.195 10.480 2.623 1.00 0.00 C ATOM 129 CD GLU A 10 11.894 11.027 2.006 1.00 0.00 C ATOM 130 OE1 GLU A 10 10.904 10.267 1.884 1.00 0.00 O ATOM 131 OE2 GLU A 10 11.856 12.223 1.625 1.00 0.00 O ATOM 0 H GLU A 10 14.134 8.310 4.153 1.00 0.00 H new ATOM 0 HA GLU A 10 15.335 10.872 4.320 1.00 0.00 H new ATOM 0 HB2 GLU A 10 12.416 10.023 4.580 1.00 0.00 H new ATOM 0 HB3 GLU A 10 12.961 11.678 4.399 1.00 0.00 H new ATOM 0 HG2 GLU A 10 14.051 11.003 2.196 1.00 0.00 H new ATOM 0 HG3 GLU A 10 13.306 9.426 2.369 1.00 0.00 H new ATOM 138 N GLU A 11 14.149 9.590 7.115 1.00 0.00 N ATOM 139 CA GLU A 11 14.055 9.740 8.572 1.00 0.00 C ATOM 140 C GLU A 11 15.435 9.872 9.237 1.00 0.00 C ATOM 141 O GLU A 11 15.578 10.606 10.215 1.00 0.00 O ATOM 142 CB GLU A 11 13.309 8.540 9.179 1.00 0.00 C ATOM 143 CG GLU A 11 11.857 8.392 8.698 1.00 0.00 C ATOM 144 CD GLU A 11 10.985 9.601 9.076 1.00 0.00 C ATOM 145 OE1 GLU A 11 10.663 9.764 10.275 1.00 0.00 O ATOM 146 OE2 GLU A 11 10.607 10.388 8.176 1.00 0.00 O ATOM 0 H GLU A 11 13.910 8.654 6.789 1.00 0.00 H new ATOM 0 HA GLU A 11 13.504 10.661 8.763 1.00 0.00 H new ATOM 0 HB2 GLU A 11 13.855 7.628 8.938 1.00 0.00 H new ATOM 0 HB3 GLU A 11 13.312 8.636 10.265 1.00 0.00 H new ATOM 0 HG2 GLU A 11 11.847 8.266 7.615 1.00 0.00 H new ATOM 0 HG3 GLU A 11 11.425 7.488 9.128 1.00 0.00 H new ATOM 153 N LEU A 12 16.466 9.213 8.692 1.00 0.00 N ATOM 154 CA LEU A 12 17.851 9.250 9.184 1.00 0.00 C ATOM 155 C LEU A 12 18.392 10.683 9.313 1.00 0.00 C ATOM 156 O LEU A 12 19.150 10.978 10.238 1.00 0.00 O ATOM 157 CB LEU A 12 18.750 8.440 8.225 1.00 0.00 C ATOM 158 CG LEU A 12 18.356 6.960 8.031 1.00 0.00 C ATOM 159 CD1 LEU A 12 19.249 6.321 6.970 1.00 0.00 C ATOM 160 CD2 LEU A 12 18.471 6.133 9.316 1.00 0.00 C ATOM 0 H LEU A 12 16.356 8.620 7.870 1.00 0.00 H new ATOM 0 HA LEU A 12 17.860 8.812 10.182 1.00 0.00 H new ATOM 0 HB2 LEU A 12 18.745 8.929 7.251 1.00 0.00 H new ATOM 0 HB3 LEU A 12 19.774 8.479 8.596 1.00 0.00 H new ATOM 0 HG LEU A 12 17.310 6.959 7.723 1.00 0.00 H new ATOM 0 HD11 LEU A 12 18.966 5.277 6.837 1.00 0.00 H new ATOM 0 HD12 LEU A 12 19.129 6.852 6.026 1.00 0.00 H new ATOM 0 HD13 LEU A 12 20.290 6.377 7.288 1.00 0.00 H new ATOM 0 HD21 LEU A 12 18.180 5.102 9.113 1.00 0.00 H new ATOM 0 HD22 LEU A 12 19.501 6.156 9.672 1.00 0.00 H new ATOM 0 HD23 LEU A 12 17.814 6.552 10.078 1.00 0.00 H new ATOM 172 N GLN A 13 17.950 11.583 8.428 1.00 0.00 N ATOM 173 CA GLN A 13 18.311 13.006 8.409 1.00 0.00 C ATOM 174 C GLN A 13 17.851 13.744 9.683 1.00 0.00 C ATOM 175 O GLN A 13 18.469 14.727 10.089 1.00 0.00 O ATOM 176 CB GLN A 13 17.653 13.683 7.196 1.00 0.00 C ATOM 177 CG GLN A 13 18.004 13.050 5.834 1.00 0.00 C ATOM 178 CD GLN A 13 17.229 13.717 4.694 1.00 0.00 C ATOM 179 OE1 GLN A 13 17.786 14.382 3.826 1.00 0.00 O ATOM 180 NE2 GLN A 13 15.914 13.599 4.666 1.00 0.00 N ATOM 0 H GLN A 13 17.307 11.332 7.677 1.00 0.00 H new ATOM 0 HA GLN A 13 19.398 13.062 8.353 1.00 0.00 H new ATOM 0 HB2 GLN A 13 16.571 13.657 7.325 1.00 0.00 H new ATOM 0 HB3 GLN A 13 17.947 14.733 7.180 1.00 0.00 H new ATOM 0 HG2 GLN A 13 19.075 13.144 5.652 1.00 0.00 H new ATOM 0 HG3 GLN A 13 17.776 11.984 5.856 1.00 0.00 H new ATOM 0 HE21 GLN A 13 15.436 13.050 5.380 1.00 0.00 H new ATOM 0 HE22 GLN A 13 15.376 14.057 3.930 1.00 0.00 H new ATOM 189 N ILE A 14 16.761 13.293 10.318 1.00 0.00 N ATOM 190 CA ILE A 14 16.137 13.945 11.481 1.00 0.00 C ATOM 191 C ILE A 14 16.849 13.529 12.776 1.00 0.00 C ATOM 192 O ILE A 14 17.085 14.365 13.650 1.00 0.00 O ATOM 193 CB ILE A 14 14.621 13.604 11.523 1.00 0.00 C ATOM 194 CG1 ILE A 14 13.891 13.847 10.174 1.00 0.00 C ATOM 195 CG2 ILE A 14 13.916 14.376 12.653 1.00 0.00 C ATOM 196 CD1 ILE A 14 14.010 15.267 9.603 1.00 0.00 C ATOM 0 H ILE A 14 16.275 12.443 10.031 1.00 0.00 H new ATOM 0 HA ILE A 14 16.239 15.026 11.388 1.00 0.00 H new ATOM 0 HB ILE A 14 14.563 12.534 11.720 1.00 0.00 H new ATOM 0 HG12 ILE A 14 14.282 13.145 9.438 1.00 0.00 H new ATOM 0 HG13 ILE A 14 12.834 13.615 10.306 1.00 0.00 H new ATOM 0 HG21 ILE A 14 12.856 14.121 12.662 1.00 0.00 H new ATOM 0 HG22 ILE A 14 14.362 14.107 13.611 1.00 0.00 H new ATOM 0 HG23 ILE A 14 14.030 15.447 12.488 1.00 0.00 H new ATOM 0 HD11 ILE A 14 13.465 15.327 8.661 1.00 0.00 H new ATOM 0 HD12 ILE A 14 13.590 15.981 10.312 1.00 0.00 H new ATOM 0 HD13 ILE A 14 15.060 15.503 9.430 1.00 0.00 H new ATOM 208 N PHE A 15 17.235 12.251 12.878 1.00 0.00 N ATOM 209 CA PHE A 15 17.957 11.685 14.017 1.00 0.00 C ATOM 210 C PHE A 15 19.483 11.880 13.939 1.00 0.00 C ATOM 211 O PHE A 15 20.184 11.560 14.905 1.00 0.00 O ATOM 212 CB PHE A 15 17.583 10.196 14.136 1.00 0.00 C ATOM 213 CG PHE A 15 16.111 9.961 14.423 1.00 0.00 C ATOM 214 CD1 PHE A 15 15.598 10.205 15.711 1.00 0.00 C ATOM 215 CD2 PHE A 15 15.244 9.518 13.407 1.00 0.00 C ATOM 216 CE1 PHE A 15 14.233 10.008 15.977 1.00 0.00 C ATOM 217 CE2 PHE A 15 13.877 9.321 13.670 1.00 0.00 C ATOM 218 CZ PHE A 15 13.366 9.571 14.954 1.00 0.00 C ATOM 0 H PHE A 15 17.047 11.565 12.147 1.00 0.00 H new ATOM 0 HA PHE A 15 17.654 12.226 14.914 1.00 0.00 H new ATOM 0 HB2 PHE A 15 17.850 9.688 13.209 1.00 0.00 H new ATOM 0 HB3 PHE A 15 18.176 9.743 14.930 1.00 0.00 H new ATOM 0 HD1 PHE A 15 16.256 10.545 16.497 1.00 0.00 H new ATOM 0 HD2 PHE A 15 15.632 9.328 12.417 1.00 0.00 H new ATOM 0 HE1 PHE A 15 13.846 10.192 16.968 1.00 0.00 H new ATOM 0 HE2 PHE A 15 13.220 8.977 12.885 1.00 0.00 H new ATOM 0 HZ PHE A 15 12.315 9.429 15.157 1.00 0.00 H new ATOM 228 N GLY A 16 20.015 12.395 12.822 1.00 0.00 N ATOM 229 CA GLY A 16 21.454 12.619 12.604 1.00 0.00 C ATOM 230 C GLY A 16 22.220 11.337 12.253 1.00 0.00 C ATOM 231 O GLY A 16 23.434 11.282 12.457 1.00 0.00 O ATOM 0 H GLY A 16 19.444 12.675 12.024 1.00 0.00 H new ATOM 0 HA2 GLY A 16 21.584 13.344 11.800 1.00 0.00 H new ATOM 0 HA3 GLY A 16 21.887 13.058 13.503 1.00 0.00 H new ATOM 235 N LEU A 17 21.522 10.310 11.757 1.00 0.00 N ATOM 236 CA LEU A 17 22.075 9.006 11.393 1.00 0.00 C ATOM 237 C LEU A 17 22.664 9.002 9.973 1.00 0.00 C ATOM 238 O LEU A 17 22.338 9.842 9.133 1.00 0.00 O ATOM 239 CB LEU A 17 20.976 7.929 11.540 1.00 0.00 C ATOM 240 CG LEU A 17 20.465 7.713 12.981 1.00 0.00 C ATOM 241 CD1 LEU A 17 19.277 6.745 12.964 1.00 0.00 C ATOM 242 CD2 LEU A 17 21.564 7.167 13.904 1.00 0.00 C ATOM 0 H LEU A 17 20.517 10.369 11.593 1.00 0.00 H new ATOM 0 HA LEU A 17 22.899 8.781 12.070 1.00 0.00 H new ATOM 0 HB2 LEU A 17 20.131 8.204 10.908 1.00 0.00 H new ATOM 0 HB3 LEU A 17 21.362 6.983 11.162 1.00 0.00 H new ATOM 0 HG LEU A 17 20.155 8.681 13.373 1.00 0.00 H new ATOM 0 HD11 LEU A 17 18.917 6.593 13.982 1.00 0.00 H new ATOM 0 HD12 LEU A 17 18.476 7.163 12.354 1.00 0.00 H new ATOM 0 HD13 LEU A 17 19.592 5.790 12.544 1.00 0.00 H new ATOM 0 HD21 LEU A 17 21.161 7.030 14.908 1.00 0.00 H new ATOM 0 HD22 LEU A 17 21.918 6.210 13.521 1.00 0.00 H new ATOM 0 HD23 LEU A 17 22.394 7.873 13.939 1.00 0.00 H new ATOM 254 N ASP A 18 23.512 8.010 9.702 1.00 0.00 N ATOM 255 CA ASP A 18 24.132 7.738 8.401 1.00 0.00 C ATOM 256 C ASP A 18 24.474 6.241 8.284 1.00 0.00 C ATOM 257 O ASP A 18 25.079 5.670 9.195 1.00 0.00 O ATOM 258 CB ASP A 18 25.380 8.622 8.227 1.00 0.00 C ATOM 259 CG ASP A 18 26.088 8.363 6.889 1.00 0.00 C ATOM 260 OD1 ASP A 18 25.457 8.572 5.825 1.00 0.00 O ATOM 261 OD2 ASP A 18 27.271 7.954 6.902 1.00 0.00 O ATOM 0 H ASP A 18 23.800 7.341 10.416 1.00 0.00 H new ATOM 0 HA ASP A 18 23.433 7.981 7.601 1.00 0.00 H new ATOM 0 HB2 ASP A 18 25.092 9.671 8.287 1.00 0.00 H new ATOM 0 HB3 ASP A 18 26.074 8.434 9.046 1.00 0.00 H new ATOM 266 N CYS A 19 24.064 5.604 7.182 1.00 0.00 N ATOM 267 CA CYS A 19 24.175 4.163 6.923 1.00 0.00 C ATOM 268 C CYS A 19 24.337 3.878 5.421 1.00 0.00 C ATOM 269 O CYS A 19 23.902 4.663 4.573 1.00 0.00 O ATOM 270 CB CYS A 19 22.916 3.458 7.465 1.00 0.00 C ATOM 271 SG CYS A 19 23.087 3.129 9.243 1.00 0.00 S ATOM 0 H CYS A 19 23.624 6.103 6.408 1.00 0.00 H new ATOM 0 HA CYS A 19 25.062 3.781 7.429 1.00 0.00 H new ATOM 0 HB2 CYS A 19 22.039 4.080 7.287 1.00 0.00 H new ATOM 0 HB3 CYS A 19 22.757 2.522 6.930 1.00 0.00 H new ATOM 0 HG CYS A 19 23.901 3.996 9.768 1.00 0.00 H new ATOM 277 N GLU A 20 24.915 2.721 5.096 1.00 0.00 N ATOM 278 CA GLU A 20 24.896 2.170 3.737 1.00 0.00 C ATOM 279 C GLU A 20 23.530 1.555 3.415 1.00 0.00 C ATOM 280 O GLU A 20 22.813 1.100 4.315 1.00 0.00 O ATOM 281 CB GLU A 20 26.029 1.146 3.531 1.00 0.00 C ATOM 282 CG GLU A 20 25.978 -0.075 4.452 1.00 0.00 C ATOM 283 CD GLU A 20 27.234 -0.947 4.274 1.00 0.00 C ATOM 284 OE1 GLU A 20 27.305 -1.721 3.290 1.00 0.00 O ATOM 285 OE2 GLU A 20 28.160 -0.876 5.114 1.00 0.00 O ATOM 0 H GLU A 20 25.411 2.137 5.769 1.00 0.00 H new ATOM 0 HA GLU A 20 25.067 2.992 3.042 1.00 0.00 H new ATOM 0 HB2 GLU A 20 26.003 0.803 2.497 1.00 0.00 H new ATOM 0 HB3 GLU A 20 26.984 1.651 3.676 1.00 0.00 H new ATOM 0 HG2 GLU A 20 25.899 0.250 5.490 1.00 0.00 H new ATOM 0 HG3 GLU A 20 25.087 -0.664 4.234 1.00 0.00 H new ATOM 292 N GLU A 21 23.180 1.497 2.129 1.00 0.00 N ATOM 293 CA GLU A 21 21.902 0.972 1.643 1.00 0.00 C ATOM 294 C GLU A 21 21.615 -0.455 2.150 1.00 0.00 C ATOM 295 O GLU A 21 20.468 -0.780 2.449 1.00 0.00 O ATOM 296 CB GLU A 21 21.854 0.995 0.104 1.00 0.00 C ATOM 297 CG GLU A 21 22.057 2.384 -0.520 1.00 0.00 C ATOM 298 CD GLU A 21 23.519 2.638 -0.923 1.00 0.00 C ATOM 299 OE1 GLU A 21 24.370 2.843 -0.025 1.00 0.00 O ATOM 300 OE2 GLU A 21 23.831 2.631 -2.140 1.00 0.00 O ATOM 0 H GLU A 21 23.791 1.821 1.379 1.00 0.00 H new ATOM 0 HA GLU A 21 21.127 1.625 2.044 1.00 0.00 H new ATOM 0 HB2 GLU A 21 22.621 0.322 -0.281 1.00 0.00 H new ATOM 0 HB3 GLU A 21 20.892 0.601 -0.223 1.00 0.00 H new ATOM 0 HG2 GLU A 21 21.419 2.481 -1.398 1.00 0.00 H new ATOM 0 HG3 GLU A 21 21.741 3.148 0.190 1.00 0.00 H new ATOM 307 N ALA A 22 22.650 -1.290 2.320 1.00 0.00 N ATOM 308 CA ALA A 22 22.518 -2.653 2.837 1.00 0.00 C ATOM 309 C ALA A 22 22.037 -2.690 4.303 1.00 0.00 C ATOM 310 O ALA A 22 21.340 -3.638 4.684 1.00 0.00 O ATOM 311 CB ALA A 22 23.856 -3.371 2.659 1.00 0.00 C ATOM 0 H ALA A 22 23.612 -1.032 2.099 1.00 0.00 H new ATOM 0 HA ALA A 22 21.745 -3.171 2.269 1.00 0.00 H new ATOM 0 HB1 ALA A 22 23.776 -4.389 3.039 1.00 0.00 H new ATOM 0 HB2 ALA A 22 24.116 -3.398 1.601 1.00 0.00 H new ATOM 0 HB3 ALA A 22 24.631 -2.838 3.210 1.00 0.00 H new ATOM 317 N LEU A 23 22.365 -1.672 5.115 1.00 0.00 N ATOM 318 CA LEU A 23 21.815 -1.522 6.470 1.00 0.00 C ATOM 319 C LEU A 23 20.436 -0.848 6.463 1.00 0.00 C ATOM 320 O LEU A 23 19.578 -1.245 7.243 1.00 0.00 O ATOM 321 CB LEU A 23 22.807 -0.758 7.370 1.00 0.00 C ATOM 322 CG LEU A 23 24.184 -1.424 7.554 1.00 0.00 C ATOM 323 CD1 LEU A 23 25.014 -0.613 8.558 1.00 0.00 C ATOM 324 CD2 LEU A 23 24.101 -2.885 8.029 1.00 0.00 C ATOM 0 H LEU A 23 23.017 -0.933 4.851 1.00 0.00 H new ATOM 0 HA LEU A 23 21.672 -2.521 6.881 1.00 0.00 H new ATOM 0 HB2 LEU A 23 22.957 0.237 6.952 1.00 0.00 H new ATOM 0 HB3 LEU A 23 22.352 -0.626 8.352 1.00 0.00 H new ATOM 0 HG LEU A 23 24.657 -1.437 6.572 1.00 0.00 H new ATOM 0 HD11 LEU A 23 25.988 -1.084 8.689 1.00 0.00 H new ATOM 0 HD12 LEU A 23 25.148 0.402 8.183 1.00 0.00 H new ATOM 0 HD13 LEU A 23 24.495 -0.580 9.516 1.00 0.00 H new ATOM 0 HD21 LEU A 23 25.107 -3.290 8.137 1.00 0.00 H new ATOM 0 HD22 LEU A 23 23.588 -2.927 8.990 1.00 0.00 H new ATOM 0 HD23 LEU A 23 23.549 -3.475 7.297 1.00 0.00 H new ATOM 336 N ILE A 24 20.185 0.116 5.569 1.00 0.00 N ATOM 337 CA ILE A 24 18.861 0.757 5.412 1.00 0.00 C ATOM 338 C ILE A 24 17.796 -0.281 5.024 1.00 0.00 C ATOM 339 O ILE A 24 16.729 -0.353 5.640 1.00 0.00 O ATOM 340 CB ILE A 24 18.951 1.942 4.408 1.00 0.00 C ATOM 341 CG1 ILE A 24 19.957 2.999 4.920 1.00 0.00 C ATOM 342 CG2 ILE A 24 17.576 2.592 4.156 1.00 0.00 C ATOM 343 CD1 ILE A 24 20.185 4.186 3.978 1.00 0.00 C ATOM 0 H ILE A 24 20.892 0.479 4.930 1.00 0.00 H new ATOM 0 HA ILE A 24 18.547 1.176 6.368 1.00 0.00 H new ATOM 0 HB ILE A 24 19.301 1.540 3.457 1.00 0.00 H new ATOM 0 HG12 ILE A 24 19.606 3.378 5.880 1.00 0.00 H new ATOM 0 HG13 ILE A 24 20.914 2.510 5.102 1.00 0.00 H new ATOM 0 HG21 ILE A 24 17.686 3.414 3.449 1.00 0.00 H new ATOM 0 HG22 ILE A 24 16.892 1.849 3.745 1.00 0.00 H new ATOM 0 HG23 ILE A 24 17.176 2.973 5.096 1.00 0.00 H new ATOM 0 HD11 ILE A 24 20.905 4.872 4.424 1.00 0.00 H new ATOM 0 HD12 ILE A 24 20.570 3.825 3.024 1.00 0.00 H new ATOM 0 HD13 ILE A 24 19.242 4.707 3.814 1.00 0.00 H new ATOM 355 N GLU A 25 18.110 -1.153 4.062 1.00 0.00 N ATOM 356 CA GLU A 25 17.265 -2.281 3.667 1.00 0.00 C ATOM 357 C GLU A 25 17.017 -3.271 4.818 1.00 0.00 C ATOM 358 O GLU A 25 15.941 -3.866 4.868 1.00 0.00 O ATOM 359 CB GLU A 25 17.885 -3.006 2.457 1.00 0.00 C ATOM 360 CG GLU A 25 17.689 -2.223 1.154 1.00 0.00 C ATOM 361 CD GLU A 25 18.322 -2.960 -0.040 1.00 0.00 C ATOM 362 OE1 GLU A 25 17.740 -3.968 -0.507 1.00 0.00 O ATOM 363 OE2 GLU A 25 19.388 -2.531 -0.545 1.00 0.00 O ATOM 0 H GLU A 25 18.976 -1.093 3.526 1.00 0.00 H new ATOM 0 HA GLU A 25 16.293 -1.873 3.390 1.00 0.00 H new ATOM 0 HB2 GLU A 25 18.950 -3.157 2.632 1.00 0.00 H new ATOM 0 HB3 GLU A 25 17.435 -3.994 2.357 1.00 0.00 H new ATOM 0 HG2 GLU A 25 16.624 -2.077 0.971 1.00 0.00 H new ATOM 0 HG3 GLU A 25 18.135 -1.233 1.251 1.00 0.00 H new ATOM 370 N LYS A 26 17.935 -3.426 5.782 1.00 0.00 N ATOM 371 CA LYS A 26 17.682 -4.264 6.959 1.00 0.00 C ATOM 372 C LYS A 26 16.566 -3.705 7.857 1.00 0.00 C ATOM 373 O LYS A 26 15.773 -4.491 8.377 1.00 0.00 O ATOM 374 CB LYS A 26 18.999 -4.553 7.714 1.00 0.00 C ATOM 375 CG LYS A 26 18.842 -5.410 8.983 1.00 0.00 C ATOM 376 CD LYS A 26 18.253 -6.812 8.762 1.00 0.00 C ATOM 377 CE LYS A 26 17.939 -7.461 10.118 1.00 0.00 C ATOM 378 NZ LYS A 26 17.349 -8.811 9.952 1.00 0.00 N ATOM 0 H LYS A 26 18.854 -2.984 5.769 1.00 0.00 H new ATOM 0 HA LYS A 26 17.298 -5.224 6.612 1.00 0.00 H new ATOM 0 HB2 LYS A 26 19.687 -5.057 7.035 1.00 0.00 H new ATOM 0 HB3 LYS A 26 19.460 -3.604 7.988 1.00 0.00 H new ATOM 0 HG2 LYS A 26 19.820 -5.515 9.453 1.00 0.00 H new ATOM 0 HG3 LYS A 26 18.206 -4.874 9.687 1.00 0.00 H new ATOM 0 HD2 LYS A 26 17.346 -6.745 8.161 1.00 0.00 H new ATOM 0 HD3 LYS A 26 18.959 -7.430 8.207 1.00 0.00 H new ATOM 0 HE2 LYS A 26 18.853 -7.532 10.708 1.00 0.00 H new ATOM 0 HE3 LYS A 26 17.249 -6.827 10.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 16.846 -9.079 10.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 16.681 -8.802 9.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 18.105 -9.499 9.763 1.00 0.00 H new ATOM 392 N LEU A 27 16.411 -2.384 7.983 1.00 0.00 N ATOM 393 CA LEU A 27 15.269 -1.793 8.703 1.00 0.00 C ATOM 394 C LEU A 27 13.967 -1.920 7.903 1.00 0.00 C ATOM 395 O LEU A 27 12.930 -2.207 8.498 1.00 0.00 O ATOM 396 CB LEU A 27 15.544 -0.328 9.093 1.00 0.00 C ATOM 397 CG LEU A 27 16.575 -0.081 10.216 1.00 0.00 C ATOM 398 CD1 LEU A 27 16.301 -0.908 11.480 1.00 0.00 C ATOM 399 CD2 LEU A 27 18.009 -0.311 9.734 1.00 0.00 C ATOM 0 H LEU A 27 17.061 -1.699 7.597 1.00 0.00 H new ATOM 0 HA LEU A 27 15.142 -2.361 9.624 1.00 0.00 H new ATOM 0 HB2 LEU A 27 15.881 0.202 8.202 1.00 0.00 H new ATOM 0 HB3 LEU A 27 14.600 0.125 9.395 1.00 0.00 H new ATOM 0 HG LEU A 27 16.462 0.969 10.487 1.00 0.00 H new ATOM 0 HD11 LEU A 27 17.061 -0.688 12.230 1.00 0.00 H new ATOM 0 HD12 LEU A 27 15.317 -0.654 11.875 1.00 0.00 H new ATOM 0 HD13 LEU A 27 16.330 -1.969 11.234 1.00 0.00 H new ATOM 0 HD21 LEU A 27 18.703 -0.127 10.554 1.00 0.00 H new ATOM 0 HD22 LEU A 27 18.117 -1.340 9.392 1.00 0.00 H new ATOM 0 HD23 LEU A 27 18.230 0.370 8.912 1.00 0.00 H new ATOM 411 N VAL A 28 14.017 -1.818 6.572 1.00 0.00 N ATOM 412 CA VAL A 28 12.856 -2.118 5.697 1.00 0.00 C ATOM 413 C VAL A 28 12.421 -3.584 5.853 1.00 0.00 C ATOM 414 O VAL A 28 11.228 -3.856 5.959 1.00 0.00 O ATOM 415 CB VAL A 28 13.144 -1.806 4.208 1.00 0.00 C ATOM 416 CG1 VAL A 28 11.973 -2.172 3.277 1.00 0.00 C ATOM 417 CG2 VAL A 28 13.442 -0.312 4.018 1.00 0.00 C ATOM 0 H VAL A 28 14.852 -1.528 6.063 1.00 0.00 H new ATOM 0 HA VAL A 28 12.044 -1.466 6.018 1.00 0.00 H new ATOM 0 HB VAL A 28 14.006 -2.418 3.941 1.00 0.00 H new ATOM 0 HG11 VAL A 28 12.237 -1.929 2.248 1.00 0.00 H new ATOM 0 HG12 VAL A 28 11.765 -3.239 3.356 1.00 0.00 H new ATOM 0 HG13 VAL A 28 11.087 -1.607 3.567 1.00 0.00 H new ATOM 0 HG21 VAL A 28 13.642 -0.112 2.965 1.00 0.00 H new ATOM 0 HG22 VAL A 28 12.582 0.275 4.342 1.00 0.00 H new ATOM 0 HG23 VAL A 28 14.314 -0.036 4.612 1.00 0.00 H new ATOM 427 N GLU A 29 13.372 -4.522 5.949 1.00 0.00 N ATOM 428 CA GLU A 29 13.110 -5.941 6.221 1.00 0.00 C ATOM 429 C GLU A 29 12.380 -6.146 7.566 1.00 0.00 C ATOM 430 O GLU A 29 11.552 -7.050 7.686 1.00 0.00 O ATOM 431 CB GLU A 29 14.444 -6.715 6.194 1.00 0.00 C ATOM 432 CG GLU A 29 14.269 -8.229 6.038 1.00 0.00 C ATOM 433 CD GLU A 29 15.563 -8.970 6.389 1.00 0.00 C ATOM 434 OE1 GLU A 29 15.846 -9.148 7.599 1.00 0.00 O ATOM 435 OE2 GLU A 29 16.304 -9.384 5.464 1.00 0.00 O ATOM 0 H GLU A 29 14.364 -4.312 5.838 1.00 0.00 H new ATOM 0 HA GLU A 29 12.448 -6.326 5.445 1.00 0.00 H new ATOM 0 HB2 GLU A 29 15.055 -6.341 5.372 1.00 0.00 H new ATOM 0 HB3 GLU A 29 14.991 -6.513 7.115 1.00 0.00 H new ATOM 0 HG2 GLU A 29 13.462 -8.574 6.684 1.00 0.00 H new ATOM 0 HG3 GLU A 29 13.979 -8.462 5.013 1.00 0.00 H new ATOM 442 N LEU A 30 12.615 -5.295 8.576 1.00 0.00 N ATOM 443 CA LEU A 30 11.830 -5.302 9.812 1.00 0.00 C ATOM 444 C LEU A 30 10.434 -4.705 9.574 1.00 0.00 C ATOM 445 O LEU A 30 9.453 -5.326 9.958 1.00 0.00 O ATOM 446 CB LEU A 30 12.555 -4.584 10.967 1.00 0.00 C ATOM 447 CG LEU A 30 13.985 -5.058 11.282 1.00 0.00 C ATOM 448 CD1 LEU A 30 14.432 -4.472 12.628 1.00 0.00 C ATOM 449 CD2 LEU A 30 14.140 -6.585 11.297 1.00 0.00 C ATOM 0 H LEU A 30 13.350 -4.588 8.556 1.00 0.00 H new ATOM 0 HA LEU A 30 11.711 -6.342 10.114 1.00 0.00 H new ATOM 0 HB2 LEU A 30 12.592 -3.519 10.737 1.00 0.00 H new ATOM 0 HB3 LEU A 30 11.953 -4.695 11.869 1.00 0.00 H new ATOM 0 HG LEU A 30 14.621 -4.697 10.474 1.00 0.00 H new ATOM 0 HD11 LEU A 30 15.445 -4.807 12.852 1.00 0.00 H new ATOM 0 HD12 LEU A 30 14.413 -3.383 12.575 1.00 0.00 H new ATOM 0 HD13 LEU A 30 13.756 -4.809 13.414 1.00 0.00 H new ATOM 0 HD21 LEU A 30 15.174 -6.844 11.526 1.00 0.00 H new ATOM 0 HD22 LEU A 30 13.483 -7.010 12.056 1.00 0.00 H new ATOM 0 HD23 LEU A 30 13.873 -6.987 10.320 1.00 0.00 H new ATOM 461 N CYS A 31 10.308 -3.555 8.896 1.00 0.00 N ATOM 462 CA CYS A 31 9.013 -2.922 8.611 1.00 0.00 C ATOM 463 C CYS A 31 8.052 -3.851 7.839 1.00 0.00 C ATOM 464 O CYS A 31 6.853 -3.874 8.114 1.00 0.00 O ATOM 465 CB CYS A 31 9.251 -1.607 7.843 1.00 0.00 C ATOM 466 SG CYS A 31 10.033 -0.382 8.933 1.00 0.00 S ATOM 0 H CYS A 31 11.105 -3.036 8.528 1.00 0.00 H new ATOM 0 HA CYS A 31 8.525 -2.710 9.562 1.00 0.00 H new ATOM 0 HB2 CYS A 31 9.886 -1.792 6.977 1.00 0.00 H new ATOM 0 HB3 CYS A 31 8.304 -1.219 7.467 1.00 0.00 H new ATOM 0 HG CYS A 31 9.237 -0.113 9.925 1.00 0.00 H new ATOM 472 N VAL A 32 8.586 -4.646 6.911 1.00 0.00 N ATOM 473 CA VAL A 32 7.829 -5.597 6.076 1.00 0.00 C ATOM 474 C VAL A 32 7.368 -6.837 6.863 1.00 0.00 C ATOM 475 O VAL A 32 6.284 -7.348 6.586 1.00 0.00 O ATOM 476 CB VAL A 32 8.655 -5.986 4.821 1.00 0.00 C ATOM 477 CG1 VAL A 32 8.063 -7.156 4.016 1.00 0.00 C ATOM 478 CG2 VAL A 32 8.789 -4.771 3.881 1.00 0.00 C ATOM 0 H VAL A 32 9.586 -4.651 6.709 1.00 0.00 H new ATOM 0 HA VAL A 32 6.919 -5.095 5.748 1.00 0.00 H new ATOM 0 HB VAL A 32 9.624 -6.311 5.199 1.00 0.00 H new ATOM 0 HG11 VAL A 32 8.699 -7.365 3.156 1.00 0.00 H new ATOM 0 HG12 VAL A 32 8.006 -8.041 4.649 1.00 0.00 H new ATOM 0 HG13 VAL A 32 7.063 -6.892 3.672 1.00 0.00 H new ATOM 0 HG21 VAL A 32 9.370 -5.053 3.003 1.00 0.00 H new ATOM 0 HG22 VAL A 32 7.798 -4.441 3.570 1.00 0.00 H new ATOM 0 HG23 VAL A 32 9.294 -3.959 4.405 1.00 0.00 H new ATOM 488 N GLN A 33 8.141 -7.313 7.853 1.00 0.00 N ATOM 489 CA GLN A 33 7.810 -8.516 8.636 1.00 0.00 C ATOM 490 C GLN A 33 6.990 -8.205 9.899 1.00 0.00 C ATOM 491 O GLN A 33 5.999 -8.885 10.174 1.00 0.00 O ATOM 492 CB GLN A 33 9.108 -9.232 9.044 1.00 0.00 C ATOM 493 CG GLN A 33 9.812 -9.938 7.875 1.00 0.00 C ATOM 494 CD GLN A 33 11.133 -10.568 8.333 1.00 0.00 C ATOM 495 OE1 GLN A 33 11.275 -11.778 8.463 1.00 0.00 O ATOM 496 NE2 GLN A 33 12.134 -9.764 8.614 1.00 0.00 N ATOM 0 H GLN A 33 9.017 -6.873 8.134 1.00 0.00 H new ATOM 0 HA GLN A 33 7.195 -9.151 7.999 1.00 0.00 H new ATOM 0 HB2 GLN A 33 9.791 -8.506 9.484 1.00 0.00 H new ATOM 0 HB3 GLN A 33 8.881 -9.966 9.818 1.00 0.00 H new ATOM 0 HG2 GLN A 33 9.160 -10.709 7.464 1.00 0.00 H new ATOM 0 HG3 GLN A 33 10.003 -9.223 7.075 1.00 0.00 H new ATOM 0 HE21 GLN A 33 12.023 -8.756 8.508 1.00 0.00 H new ATOM 0 HE22 GLN A 33 13.022 -10.148 8.938 1.00 0.00 H new ATOM 505 N TYR A 34 7.385 -7.196 10.676 1.00 0.00 N ATOM 506 CA TYR A 34 6.755 -6.837 11.960 1.00 0.00 C ATOM 507 C TYR A 34 5.496 -5.965 11.778 1.00 0.00 C ATOM 508 O TYR A 34 4.654 -5.883 12.678 1.00 0.00 O ATOM 509 CB TYR A 34 7.781 -6.097 12.839 1.00 0.00 C ATOM 510 CG TYR A 34 8.919 -6.942 13.401 1.00 0.00 C ATOM 511 CD1 TYR A 34 9.955 -7.425 12.573 1.00 0.00 C ATOM 512 CD2 TYR A 34 8.964 -7.216 14.785 1.00 0.00 C ATOM 513 CE1 TYR A 34 11.016 -8.176 13.113 1.00 0.00 C ATOM 514 CE2 TYR A 34 10.032 -7.948 15.337 1.00 0.00 C ATOM 515 CZ TYR A 34 11.066 -8.424 14.500 1.00 0.00 C ATOM 516 OH TYR A 34 12.094 -9.137 15.030 1.00 0.00 O ATOM 0 H TYR A 34 8.167 -6.589 10.431 1.00 0.00 H new ATOM 0 HA TYR A 34 6.436 -7.761 12.442 1.00 0.00 H new ATOM 0 HB2 TYR A 34 8.213 -5.286 12.252 1.00 0.00 H new ATOM 0 HB3 TYR A 34 7.250 -5.639 13.673 1.00 0.00 H new ATOM 0 HD1 TYR A 34 9.933 -7.216 11.514 1.00 0.00 H new ATOM 0 HD2 TYR A 34 8.171 -6.861 15.427 1.00 0.00 H new ATOM 0 HE1 TYR A 34 11.790 -8.561 12.466 1.00 0.00 H new ATOM 0 HE2 TYR A 34 10.061 -8.145 16.398 1.00 0.00 H new ATOM 0 HH TYR A 34 12.736 -9.360 14.324 1.00 0.00 H new ATOM 526 N GLY A 35 5.360 -5.302 10.617 1.00 0.00 N ATOM 527 CA GLY A 35 4.224 -4.446 10.243 1.00 0.00 C ATOM 528 C GLY A 35 4.256 -3.034 10.846 1.00 0.00 C ATOM 529 O GLY A 35 3.312 -2.268 10.635 1.00 0.00 O ATOM 0 H GLY A 35 6.068 -5.351 9.884 1.00 0.00 H new ATOM 0 HA2 GLY A 35 4.193 -4.361 9.157 1.00 0.00 H new ATOM 0 HA3 GLY A 35 3.301 -4.937 10.551 1.00 0.00 H new ATOM 533 N GLN A 36 5.304 -2.689 11.596 1.00 0.00 N ATOM 534 CA GLN A 36 5.482 -1.394 12.255 1.00 0.00 C ATOM 535 C GLN A 36 6.232 -0.417 11.332 1.00 0.00 C ATOM 536 O GLN A 36 7.135 -0.817 10.594 1.00 0.00 O ATOM 537 CB GLN A 36 6.223 -1.626 13.580 1.00 0.00 C ATOM 538 CG GLN A 36 6.292 -0.382 14.480 1.00 0.00 C ATOM 539 CD GLN A 36 6.956 -0.663 15.830 1.00 0.00 C ATOM 540 OE1 GLN A 36 7.931 -0.032 16.218 1.00 0.00 O ATOM 541 NE2 GLN A 36 6.460 -1.603 16.611 1.00 0.00 N ATOM 0 H GLN A 36 6.081 -3.327 11.767 1.00 0.00 H new ATOM 0 HA GLN A 36 4.516 -0.937 12.468 1.00 0.00 H new ATOM 0 HB2 GLN A 36 5.729 -2.430 14.125 1.00 0.00 H new ATOM 0 HB3 GLN A 36 7.237 -1.963 13.364 1.00 0.00 H new ATOM 0 HG2 GLN A 36 6.845 0.403 13.965 1.00 0.00 H new ATOM 0 HG3 GLN A 36 5.283 -0.004 14.648 1.00 0.00 H new ATOM 0 HE21 GLN A 36 5.648 -2.141 16.309 1.00 0.00 H new ATOM 0 HE22 GLN A 36 6.888 -1.791 17.517 1.00 0.00 H new ATOM 550 N ASN A 37 5.866 0.866 11.364 1.00 0.00 N ATOM 551 CA ASN A 37 6.411 1.879 10.454 1.00 0.00 C ATOM 552 C ASN A 37 7.870 2.285 10.738 1.00 0.00 C ATOM 553 O ASN A 37 8.414 2.106 11.831 1.00 0.00 O ATOM 554 CB ASN A 37 5.483 3.113 10.435 1.00 0.00 C ATOM 555 CG ASN A 37 4.264 2.878 9.545 1.00 0.00 C ATOM 556 OD1 ASN A 37 3.152 2.677 10.022 1.00 0.00 O ATOM 557 ND2 ASN A 37 4.447 2.896 8.238 1.00 0.00 N ATOM 0 H ASN A 37 5.181 1.234 12.024 1.00 0.00 H new ATOM 0 HA ASN A 37 6.443 1.416 9.468 1.00 0.00 H new ATOM 0 HB2 ASN A 37 5.156 3.341 11.450 1.00 0.00 H new ATOM 0 HB3 ASN A 37 6.036 3.981 10.076 1.00 0.00 H new ATOM 0 HD21 ASN A 37 3.658 2.742 7.610 1.00 0.00 H new ATOM 0 HD22 ASN A 37 5.377 3.064 7.856 1.00 0.00 H new ATOM 564 N GLU A 38 8.477 2.894 9.714 1.00 0.00 N ATOM 565 CA GLU A 38 9.871 3.334 9.633 1.00 0.00 C ATOM 566 C GLU A 38 10.292 4.205 10.827 1.00 0.00 C ATOM 567 O GLU A 38 11.393 4.040 11.350 1.00 0.00 O ATOM 568 CB GLU A 38 10.096 4.119 8.321 1.00 0.00 C ATOM 569 CG GLU A 38 9.581 3.434 7.040 1.00 0.00 C ATOM 570 CD GLU A 38 8.141 3.852 6.701 1.00 0.00 C ATOM 571 OE1 GLU A 38 7.190 3.277 7.284 1.00 0.00 O ATOM 572 OE2 GLU A 38 7.961 4.773 5.869 1.00 0.00 O ATOM 0 H GLU A 38 7.967 3.107 8.857 1.00 0.00 H new ATOM 0 HA GLU A 38 10.489 2.436 9.652 1.00 0.00 H new ATOM 0 HB2 GLU A 38 9.611 5.091 8.412 1.00 0.00 H new ATOM 0 HB3 GLU A 38 11.164 4.305 8.208 1.00 0.00 H new ATOM 0 HG2 GLU A 38 10.237 3.685 6.206 1.00 0.00 H new ATOM 0 HG3 GLU A 38 9.624 2.352 7.165 1.00 0.00 H new ATOM 579 N GLU A 39 9.412 5.103 11.283 1.00 0.00 N ATOM 580 CA GLU A 39 9.669 6.011 12.414 1.00 0.00 C ATOM 581 C GLU A 39 9.943 5.285 13.745 1.00 0.00 C ATOM 582 O GLU A 39 10.647 5.820 14.599 1.00 0.00 O ATOM 583 CB GLU A 39 8.504 7.002 12.562 1.00 0.00 C ATOM 584 CG GLU A 39 7.159 6.361 12.943 1.00 0.00 C ATOM 585 CD GLU A 39 6.049 7.417 13.049 1.00 0.00 C ATOM 586 OE1 GLU A 39 5.398 7.726 12.024 1.00 0.00 O ATOM 587 OE2 GLU A 39 5.812 7.944 14.160 1.00 0.00 O ATOM 0 H GLU A 39 8.486 5.224 10.873 1.00 0.00 H new ATOM 0 HA GLU A 39 10.587 6.550 12.180 1.00 0.00 H new ATOM 0 HB2 GLU A 39 8.767 7.740 13.320 1.00 0.00 H new ATOM 0 HB3 GLU A 39 8.381 7.540 11.622 1.00 0.00 H new ATOM 0 HG2 GLU A 39 6.885 5.615 12.197 1.00 0.00 H new ATOM 0 HG3 GLU A 39 7.259 5.838 13.894 1.00 0.00 H new ATOM 594 N GLY A 40 9.446 4.052 13.917 1.00 0.00 N ATOM 595 CA GLY A 40 9.759 3.182 15.060 1.00 0.00 C ATOM 596 C GLY A 40 11.089 2.459 14.848 1.00 0.00 C ATOM 597 O GLY A 40 11.994 2.557 15.679 1.00 0.00 O ATOM 0 H GLY A 40 8.802 3.623 13.252 1.00 0.00 H new ATOM 0 HA2 GLY A 40 9.805 3.776 15.972 1.00 0.00 H new ATOM 0 HA3 GLY A 40 8.961 2.452 15.195 1.00 0.00 H new ATOM 601 N MET A 41 11.240 1.788 13.702 1.00 0.00 N ATOM 602 CA MET A 41 12.450 1.035 13.343 1.00 0.00 C ATOM 603 C MET A 41 13.704 1.918 13.285 1.00 0.00 C ATOM 604 O MET A 41 14.763 1.493 13.743 1.00 0.00 O ATOM 605 CB MET A 41 12.226 0.312 11.998 1.00 0.00 C ATOM 606 CG MET A 41 11.657 -1.097 12.181 1.00 0.00 C ATOM 607 SD MET A 41 10.084 -1.225 13.071 1.00 0.00 S ATOM 608 CE MET A 41 9.926 -3.028 13.074 1.00 0.00 C ATOM 0 H MET A 41 10.515 1.751 12.985 1.00 0.00 H new ATOM 0 HA MET A 41 12.629 0.302 14.130 1.00 0.00 H new ATOM 0 HB2 MET A 41 11.545 0.899 11.382 1.00 0.00 H new ATOM 0 HB3 MET A 41 13.171 0.252 11.459 1.00 0.00 H new ATOM 0 HG2 MET A 41 11.528 -1.544 11.195 1.00 0.00 H new ATOM 0 HG3 MET A 41 12.397 -1.698 12.709 1.00 0.00 H new ATOM 0 HE1 MET A 41 9.064 -3.317 13.675 1.00 0.00 H new ATOM 0 HE2 MET A 41 9.791 -3.383 12.052 1.00 0.00 H new ATOM 0 HE3 MET A 41 10.828 -3.472 13.496 1.00 0.00 H new ATOM 618 N VAL A 42 13.591 3.145 12.775 1.00 0.00 N ATOM 619 CA VAL A 42 14.680 4.137 12.766 1.00 0.00 C ATOM 620 C VAL A 42 14.816 4.823 14.134 1.00 0.00 C ATOM 621 O VAL A 42 15.924 4.905 14.656 1.00 0.00 O ATOM 622 CB VAL A 42 14.485 5.195 11.657 1.00 0.00 C ATOM 623 CG1 VAL A 42 15.552 6.296 11.721 1.00 0.00 C ATOM 624 CG2 VAL A 42 14.559 4.552 10.258 1.00 0.00 C ATOM 0 H VAL A 42 12.730 3.488 12.349 1.00 0.00 H new ATOM 0 HA VAL A 42 15.601 3.594 12.554 1.00 0.00 H new ATOM 0 HB VAL A 42 13.500 5.630 11.825 1.00 0.00 H new ATOM 0 HG11 VAL A 42 15.377 7.019 10.924 1.00 0.00 H new ATOM 0 HG12 VAL A 42 15.497 6.800 12.686 1.00 0.00 H new ATOM 0 HG13 VAL A 42 16.540 5.853 11.599 1.00 0.00 H new ATOM 0 HG21 VAL A 42 14.418 5.320 9.497 1.00 0.00 H new ATOM 0 HG22 VAL A 42 15.534 4.083 10.124 1.00 0.00 H new ATOM 0 HG23 VAL A 42 13.777 3.798 10.162 1.00 0.00 H new ATOM 634 N GLY A 43 13.716 5.311 14.722 1.00 0.00 N ATOM 635 CA GLY A 43 13.755 6.228 15.870 1.00 0.00 C ATOM 636 C GLY A 43 14.061 5.573 17.218 1.00 0.00 C ATOM 637 O GLY A 43 14.612 6.232 18.099 1.00 0.00 O ATOM 0 H GLY A 43 12.771 5.081 14.415 1.00 0.00 H new ATOM 0 HA2 GLY A 43 14.507 6.994 15.677 1.00 0.00 H new ATOM 0 HA3 GLY A 43 12.793 6.736 15.941 1.00 0.00 H new ATOM 641 N GLU A 44 13.750 4.288 17.384 1.00 0.00 N ATOM 642 CA GLU A 44 14.045 3.541 18.619 1.00 0.00 C ATOM 643 C GLU A 44 15.468 2.948 18.652 1.00 0.00 C ATOM 644 O GLU A 44 15.969 2.602 19.726 1.00 0.00 O ATOM 645 CB GLU A 44 13.001 2.433 18.826 1.00 0.00 C ATOM 646 CG GLU A 44 11.550 2.940 18.960 1.00 0.00 C ATOM 647 CD GLU A 44 11.369 3.935 20.117 1.00 0.00 C ATOM 648 OE1 GLU A 44 11.303 3.496 21.290 1.00 0.00 O ATOM 649 OE2 GLU A 44 11.273 5.160 19.865 1.00 0.00 O ATOM 0 H GLU A 44 13.285 3.729 16.668 1.00 0.00 H new ATOM 0 HA GLU A 44 13.993 4.259 19.437 1.00 0.00 H new ATOM 0 HB2 GLU A 44 13.054 1.739 17.987 1.00 0.00 H new ATOM 0 HB3 GLU A 44 13.260 1.870 19.722 1.00 0.00 H new ATOM 0 HG2 GLU A 44 11.249 3.417 18.027 1.00 0.00 H new ATOM 0 HG3 GLU A 44 10.886 2.089 19.112 1.00 0.00 H new ATOM 656 N LEU A 45 16.147 2.868 17.500 1.00 0.00 N ATOM 657 CA LEU A 45 17.502 2.324 17.368 1.00 0.00 C ATOM 658 C LEU A 45 18.567 3.182 18.078 1.00 0.00 C ATOM 659 O LEU A 45 19.586 2.653 18.527 1.00 0.00 O ATOM 660 CB LEU A 45 17.794 2.188 15.866 1.00 0.00 C ATOM 661 CG LEU A 45 19.164 1.587 15.490 1.00 0.00 C ATOM 662 CD1 LEU A 45 19.346 0.149 16.005 1.00 0.00 C ATOM 663 CD2 LEU A 45 19.274 1.632 13.962 1.00 0.00 C ATOM 0 H LEU A 45 15.758 3.188 16.613 1.00 0.00 H new ATOM 0 HA LEU A 45 17.552 1.353 17.862 1.00 0.00 H new ATOM 0 HB2 LEU A 45 17.015 1.570 15.420 1.00 0.00 H new ATOM 0 HB3 LEU A 45 17.717 3.176 15.411 1.00 0.00 H new ATOM 0 HG LEU A 45 19.954 2.171 15.963 1.00 0.00 H new ATOM 0 HD11 LEU A 45 20.328 -0.221 15.710 1.00 0.00 H new ATOM 0 HD12 LEU A 45 19.265 0.139 17.092 1.00 0.00 H new ATOM 0 HD13 LEU A 45 18.574 -0.491 15.578 1.00 0.00 H new ATOM 0 HD21 LEU A 45 20.232 1.214 13.654 1.00 0.00 H new ATOM 0 HD22 LEU A 45 18.465 1.048 13.522 1.00 0.00 H new ATOM 0 HD23 LEU A 45 19.202 2.665 13.622 1.00 0.00 H new ATOM 675 N ILE A 46 18.334 4.490 18.225 1.00 0.00 N ATOM 676 CA ILE A 46 19.260 5.419 18.898 1.00 0.00 C ATOM 677 C ILE A 46 19.454 5.036 20.377 1.00 0.00 C ATOM 678 O ILE A 46 20.551 5.202 20.912 1.00 0.00 O ATOM 679 CB ILE A 46 18.800 6.895 18.711 1.00 0.00 C ATOM 680 CG1 ILE A 46 18.756 7.309 17.219 1.00 0.00 C ATOM 681 CG2 ILE A 46 19.745 7.867 19.443 1.00 0.00 C ATOM 682 CD1 ILE A 46 17.362 7.150 16.598 1.00 0.00 C ATOM 0 H ILE A 46 17.489 4.943 17.878 1.00 0.00 H new ATOM 0 HA ILE A 46 20.239 5.334 18.427 1.00 0.00 H new ATOM 0 HB ILE A 46 17.796 6.952 19.131 1.00 0.00 H new ATOM 0 HG12 ILE A 46 19.074 8.347 17.125 1.00 0.00 H new ATOM 0 HG13 ILE A 46 19.469 6.705 16.658 1.00 0.00 H new ATOM 0 HG21 ILE A 46 19.400 8.890 19.295 1.00 0.00 H new ATOM 0 HG22 ILE A 46 19.751 7.636 20.508 1.00 0.00 H new ATOM 0 HG23 ILE A 46 20.754 7.763 19.044 1.00 0.00 H new ATOM 0 HD11 ILE A 46 17.393 7.455 15.552 1.00 0.00 H new ATOM 0 HD12 ILE A 46 17.052 6.107 16.663 1.00 0.00 H new ATOM 0 HD13 ILE A 46 16.650 7.775 17.137 1.00 0.00 H new ATOM 694 N ALA A 47 18.439 4.460 21.026 1.00 0.00 N ATOM 695 CA ALA A 47 18.521 3.993 22.415 1.00 0.00 C ATOM 696 C ALA A 47 19.529 2.845 22.603 1.00 0.00 C ATOM 697 O ALA A 47 20.207 2.792 23.633 1.00 0.00 O ATOM 698 CB ALA A 47 17.110 3.602 22.875 1.00 0.00 C ATOM 0 H ALA A 47 17.526 4.302 20.598 1.00 0.00 H new ATOM 0 HA ALA A 47 18.901 4.803 23.038 1.00 0.00 H new ATOM 0 HB1 ALA A 47 17.148 3.251 23.906 1.00 0.00 H new ATOM 0 HB2 ALA A 47 16.453 4.469 22.810 1.00 0.00 H new ATOM 0 HB3 ALA A 47 16.726 2.807 22.235 1.00 0.00 H new ATOM 704 N PHE A 48 19.676 1.955 21.613 1.00 0.00 N ATOM 705 CA PHE A 48 20.670 0.880 21.616 1.00 0.00 C ATOM 706 C PHE A 48 22.091 1.462 21.514 1.00 0.00 C ATOM 707 O PHE A 48 22.956 1.134 22.328 1.00 0.00 O ATOM 708 CB PHE A 48 20.343 -0.095 20.469 1.00 0.00 C ATOM 709 CG PHE A 48 21.151 -1.382 20.364 1.00 0.00 C ATOM 710 CD1 PHE A 48 21.980 -1.856 21.404 1.00 0.00 C ATOM 711 CD2 PHE A 48 21.032 -2.149 19.190 1.00 0.00 C ATOM 712 CE1 PHE A 48 22.681 -3.068 21.262 1.00 0.00 C ATOM 713 CE2 PHE A 48 21.715 -3.367 19.059 1.00 0.00 C ATOM 714 CZ PHE A 48 22.555 -3.822 20.087 1.00 0.00 C ATOM 0 H PHE A 48 19.096 1.964 20.774 1.00 0.00 H new ATOM 0 HA PHE A 48 20.633 0.327 22.554 1.00 0.00 H new ATOM 0 HB2 PHE A 48 19.291 -0.369 20.555 1.00 0.00 H new ATOM 0 HB3 PHE A 48 20.456 0.446 19.530 1.00 0.00 H new ATOM 0 HD1 PHE A 48 22.077 -1.284 22.315 1.00 0.00 H new ATOM 0 HD2 PHE A 48 20.408 -1.796 18.382 1.00 0.00 H new ATOM 0 HE1 PHE A 48 23.318 -3.418 22.061 1.00 0.00 H new ATOM 0 HE2 PHE A 48 21.594 -3.957 18.163 1.00 0.00 H new ATOM 0 HZ PHE A 48 23.101 -4.747 19.974 1.00 0.00 H new ATOM 724 N CYS A 49 22.318 2.396 20.580 1.00 0.00 N ATOM 725 CA CYS A 49 23.586 3.129 20.437 1.00 0.00 C ATOM 726 C CYS A 49 23.938 3.951 21.695 1.00 0.00 C ATOM 727 O CYS A 49 25.096 3.972 22.111 1.00 0.00 O ATOM 728 CB CYS A 49 23.494 4.027 19.192 1.00 0.00 C ATOM 729 SG CYS A 49 23.209 3.014 17.708 1.00 0.00 S ATOM 0 H CYS A 49 21.616 2.668 19.892 1.00 0.00 H new ATOM 0 HA CYS A 49 24.395 2.408 20.317 1.00 0.00 H new ATOM 0 HB2 CYS A 49 22.683 4.746 19.312 1.00 0.00 H new ATOM 0 HB3 CYS A 49 24.414 4.600 19.079 1.00 0.00 H new ATOM 0 HG CYS A 49 22.921 3.787 16.703 1.00 0.00 H new ATOM 735 N THR A 50 22.935 4.568 22.341 1.00 0.00 N ATOM 736 CA THR A 50 23.079 5.326 23.599 1.00 0.00 C ATOM 737 C THR A 50 23.477 4.398 24.740 1.00 0.00 C ATOM 738 O THR A 50 24.443 4.679 25.446 1.00 0.00 O ATOM 739 CB THR A 50 21.785 6.084 23.926 1.00 0.00 C ATOM 740 OG1 THR A 50 21.507 6.976 22.874 1.00 0.00 O ATOM 741 CG2 THR A 50 21.906 6.918 25.203 1.00 0.00 C ATOM 0 H THR A 50 21.976 4.554 21.995 1.00 0.00 H new ATOM 0 HA THR A 50 23.873 6.061 23.471 1.00 0.00 H new ATOM 0 HB THR A 50 20.999 5.341 24.063 1.00 0.00 H new ATOM 0 HG1 THR A 50 21.159 6.477 22.105 1.00 0.00 H new ATOM 0 HG21 THR A 50 20.965 7.435 25.391 1.00 0.00 H new ATOM 0 HG22 THR A 50 22.135 6.264 26.044 1.00 0.00 H new ATOM 0 HG23 THR A 50 22.705 7.650 25.085 1.00 0.00 H new ATOM 749 N SER A 51 22.778 3.280 24.911 1.00 0.00 N ATOM 750 CA SER A 51 23.012 2.337 26.018 1.00 0.00 C ATOM 751 C SER A 51 24.384 1.642 25.959 1.00 0.00 C ATOM 752 O SER A 51 24.989 1.392 27.008 1.00 0.00 O ATOM 753 CB SER A 51 21.911 1.259 26.049 1.00 0.00 C ATOM 754 OG SER A 51 20.627 1.819 26.326 1.00 0.00 O ATOM 0 H SER A 51 22.026 2.994 24.284 1.00 0.00 H new ATOM 0 HA SER A 51 22.991 2.940 26.926 1.00 0.00 H new ATOM 0 HB2 SER A 51 21.882 0.741 25.090 1.00 0.00 H new ATOM 0 HB3 SER A 51 22.153 0.514 26.807 1.00 0.00 H new ATOM 0 HG SER A 51 20.274 2.245 25.517 1.00 0.00 H new ATOM 760 N THR A 52 24.886 1.354 24.746 1.00 0.00 N ATOM 761 CA THR A 52 26.222 0.758 24.517 1.00 0.00 C ATOM 762 C THR A 52 27.346 1.786 24.415 1.00 0.00 C ATOM 763 O THR A 52 28.505 1.442 24.638 1.00 0.00 O ATOM 764 CB THR A 52 26.227 -0.108 23.259 1.00 0.00 C ATOM 765 OG1 THR A 52 25.836 0.646 22.132 1.00 0.00 O ATOM 766 CG2 THR A 52 25.301 -1.317 23.382 1.00 0.00 C ATOM 0 H THR A 52 24.372 1.529 23.883 1.00 0.00 H new ATOM 0 HA THR A 52 26.417 0.148 25.399 1.00 0.00 H new ATOM 0 HB THR A 52 27.249 -0.466 23.137 1.00 0.00 H new ATOM 0 HG1 THR A 52 24.865 0.781 22.149 1.00 0.00 H new ATOM 0 HG21 THR A 52 25.340 -1.900 22.462 1.00 0.00 H new ATOM 0 HG22 THR A 52 25.622 -1.937 24.219 1.00 0.00 H new ATOM 0 HG23 THR A 52 24.280 -0.977 23.553 1.00 0.00 H new ATOM 774 N HIS A 53 27.000 3.023 24.054 1.00 0.00 N ATOM 775 CA HIS A 53 27.870 4.180 23.783 1.00 0.00 C ATOM 776 C HIS A 53 28.559 4.100 22.396 1.00 0.00 C ATOM 777 O HIS A 53 29.409 4.939 22.070 1.00 0.00 O ATOM 778 CB HIS A 53 28.879 4.455 24.919 1.00 0.00 C ATOM 779 CG HIS A 53 28.323 4.518 26.326 1.00 0.00 C ATOM 780 ND1 HIS A 53 27.011 4.690 26.716 1.00 0.00 N ATOM 781 CD2 HIS A 53 29.064 4.424 27.479 1.00 0.00 C ATOM 782 CE1 HIS A 53 26.966 4.692 28.060 1.00 0.00 C ATOM 783 NE2 HIS A 53 28.199 4.536 28.578 1.00 0.00 N ATOM 0 H HIS A 53 26.017 3.267 23.932 1.00 0.00 H new ATOM 0 HA HIS A 53 27.206 5.044 23.750 1.00 0.00 H new ATOM 0 HB2 HIS A 53 29.643 3.678 24.890 1.00 0.00 H new ATOM 0 HB3 HIS A 53 29.378 5.401 24.708 1.00 0.00 H new ATOM 0 HD1 HIS A 53 26.212 4.797 26.092 1.00 0.00 H new ATOM 0 HD2 HIS A 53 30.134 4.287 27.531 1.00 0.00 H new ATOM 0 HE1 HIS A 53 26.064 4.803 28.644 1.00 0.00 H new ATOM 791 N LYS A 54 28.225 3.100 21.568 1.00 0.00 N ATOM 792 CA LYS A 54 28.835 2.883 20.243 1.00 0.00 C ATOM 793 C LYS A 54 28.426 3.968 19.223 1.00 0.00 C ATOM 794 O LYS A 54 27.242 4.303 19.101 1.00 0.00 O ATOM 795 CB LYS A 54 28.487 1.471 19.734 1.00 0.00 C ATOM 796 CG LYS A 54 29.148 0.381 20.595 1.00 0.00 C ATOM 797 CD LYS A 54 28.912 -1.044 20.067 1.00 0.00 C ATOM 798 CE LYS A 54 27.419 -1.397 20.015 1.00 0.00 C ATOM 799 NZ LYS A 54 27.213 -2.852 19.808 1.00 0.00 N ATOM 0 H LYS A 54 27.513 2.407 21.801 1.00 0.00 H new ATOM 0 HA LYS A 54 29.916 2.963 20.353 1.00 0.00 H new ATOM 0 HB2 LYS A 54 27.405 1.337 19.743 1.00 0.00 H new ATOM 0 HB3 LYS A 54 28.813 1.366 18.699 1.00 0.00 H new ATOM 0 HG2 LYS A 54 30.221 0.569 20.644 1.00 0.00 H new ATOM 0 HG3 LYS A 54 28.765 0.451 21.613 1.00 0.00 H new ATOM 0 HD2 LYS A 54 29.342 -1.137 19.070 1.00 0.00 H new ATOM 0 HD3 LYS A 54 29.432 -1.758 20.706 1.00 0.00 H new ATOM 0 HE2 LYS A 54 26.938 -1.088 20.943 1.00 0.00 H new ATOM 0 HE3 LYS A 54 26.940 -0.842 19.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 26.194 -3.057 19.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 27.651 -3.140 18.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 27.649 -3.379 20.591 1.00 0.00 H new ATOM 813 N VAL A 55 29.400 4.483 18.460 1.00 0.00 N ATOM 814 CA VAL A 55 29.209 5.539 17.435 1.00 0.00 C ATOM 815 C VAL A 55 28.973 4.992 16.013 1.00 0.00 C ATOM 816 O VAL A 55 28.717 5.767 15.090 1.00 0.00 O ATOM 817 CB VAL A 55 30.379 6.559 17.421 1.00 0.00 C ATOM 818 CG1 VAL A 55 30.505 7.262 18.782 1.00 0.00 C ATOM 819 CG2 VAL A 55 31.728 5.930 17.030 1.00 0.00 C ATOM 0 H VAL A 55 30.369 4.175 18.534 1.00 0.00 H new ATOM 0 HA VAL A 55 28.295 6.052 17.736 1.00 0.00 H new ATOM 0 HB VAL A 55 30.133 7.290 16.651 1.00 0.00 H new ATOM 0 HG11 VAL A 55 31.331 7.972 18.750 1.00 0.00 H new ATOM 0 HG12 VAL A 55 29.579 7.792 19.005 1.00 0.00 H new ATOM 0 HG13 VAL A 55 30.694 6.521 19.558 1.00 0.00 H new ATOM 0 HG21 VAL A 55 32.503 6.696 17.039 1.00 0.00 H new ATOM 0 HG22 VAL A 55 31.984 5.146 17.743 1.00 0.00 H new ATOM 0 HG23 VAL A 55 31.654 5.502 16.030 1.00 0.00 H new ATOM 829 N GLY A 56 29.057 3.666 15.825 1.00 0.00 N ATOM 830 CA GLY A 56 28.886 2.971 14.541 1.00 0.00 C ATOM 831 C GLY A 56 27.998 1.730 14.641 1.00 0.00 C ATOM 832 O GLY A 56 27.786 1.192 15.729 1.00 0.00 O ATOM 0 H GLY A 56 29.253 3.024 16.593 1.00 0.00 H new ATOM 0 HA2 GLY A 56 28.454 3.661 13.816 1.00 0.00 H new ATOM 0 HA3 GLY A 56 29.865 2.680 14.160 1.00 0.00 H new ATOM 836 N LEU A 57 27.487 1.267 13.494 1.00 0.00 N ATOM 837 CA LEU A 57 26.608 0.096 13.363 1.00 0.00 C ATOM 838 C LEU A 57 27.124 -0.887 12.297 1.00 0.00 C ATOM 839 O LEU A 57 27.927 -0.526 11.433 1.00 0.00 O ATOM 840 CB LEU A 57 25.168 0.538 13.036 1.00 0.00 C ATOM 841 CG LEU A 57 24.473 1.329 14.170 1.00 0.00 C ATOM 842 CD1 LEU A 57 24.596 2.850 13.970 1.00 0.00 C ATOM 843 CD2 LEU A 57 22.989 0.949 14.240 1.00 0.00 C ATOM 0 H LEU A 57 27.681 1.713 12.598 1.00 0.00 H new ATOM 0 HA LEU A 57 26.609 -0.426 14.320 1.00 0.00 H new ATOM 0 HB2 LEU A 57 25.184 1.153 12.137 1.00 0.00 H new ATOM 0 HB3 LEU A 57 24.572 -0.345 12.807 1.00 0.00 H new ATOM 0 HG LEU A 57 24.974 1.067 15.102 1.00 0.00 H new ATOM 0 HD11 LEU A 57 24.094 3.366 14.788 1.00 0.00 H new ATOM 0 HD12 LEU A 57 25.649 3.131 13.955 1.00 0.00 H new ATOM 0 HD13 LEU A 57 24.132 3.131 13.025 1.00 0.00 H new ATOM 0 HD21 LEU A 57 22.507 1.510 15.041 1.00 0.00 H new ATOM 0 HD22 LEU A 57 22.508 1.185 13.291 1.00 0.00 H new ATOM 0 HD23 LEU A 57 22.896 -0.119 14.438 1.00 0.00 H new ATOM 855 N THR A 58 26.629 -2.132 12.357 1.00 0.00 N ATOM 856 CA THR A 58 26.957 -3.258 11.467 1.00 0.00 C ATOM 857 C THR A 58 25.702 -4.071 11.183 1.00 0.00 C ATOM 858 O THR A 58 24.692 -3.943 11.874 1.00 0.00 O ATOM 859 CB THR A 58 28.024 -4.175 12.093 1.00 0.00 C ATOM 860 OG1 THR A 58 27.501 -4.777 13.261 1.00 0.00 O ATOM 861 CG2 THR A 58 29.321 -3.448 12.449 1.00 0.00 C ATOM 0 H THR A 58 25.949 -2.396 13.070 1.00 0.00 H new ATOM 0 HA THR A 58 27.356 -2.847 10.539 1.00 0.00 H new ATOM 0 HB THR A 58 28.272 -4.922 11.339 1.00 0.00 H new ATOM 0 HG1 THR A 58 28.179 -5.362 13.659 1.00 0.00 H new ATOM 0 HG21 THR A 58 30.027 -4.155 12.885 1.00 0.00 H new ATOM 0 HG22 THR A 58 29.753 -3.013 11.548 1.00 0.00 H new ATOM 0 HG23 THR A 58 29.109 -2.657 13.168 1.00 0.00 H new ATOM 869 N SER A 59 25.773 -4.980 10.216 1.00 0.00 N ATOM 870 CA SER A 59 24.701 -5.945 9.936 1.00 0.00 C ATOM 871 C SER A 59 24.399 -6.872 11.128 1.00 0.00 C ATOM 872 O SER A 59 23.253 -7.294 11.301 1.00 0.00 O ATOM 873 CB SER A 59 25.064 -6.761 8.685 1.00 0.00 C ATOM 874 OG SER A 59 26.345 -7.371 8.813 1.00 0.00 O ATOM 0 H SER A 59 26.579 -5.073 9.597 1.00 0.00 H new ATOM 0 HA SER A 59 23.787 -5.379 9.757 1.00 0.00 H new ATOM 0 HB2 SER A 59 24.309 -7.529 8.519 1.00 0.00 H new ATOM 0 HB3 SER A 59 25.055 -6.111 7.810 1.00 0.00 H new ATOM 0 HG SER A 59 26.546 -7.884 8.002 1.00 0.00 H new ATOM 880 N GLU A 60 25.390 -7.141 11.989 1.00 0.00 N ATOM 881 CA GLU A 60 25.218 -7.904 13.227 1.00 0.00 C ATOM 882 C GLU A 60 24.520 -7.080 14.323 1.00 0.00 C ATOM 883 O GLU A 60 23.733 -7.631 15.094 1.00 0.00 O ATOM 884 CB GLU A 60 26.577 -8.414 13.733 1.00 0.00 C ATOM 885 CG GLU A 60 27.244 -9.406 12.760 1.00 0.00 C ATOM 886 CD GLU A 60 28.542 -9.981 13.348 1.00 0.00 C ATOM 887 OE1 GLU A 60 29.622 -9.371 13.167 1.00 0.00 O ATOM 888 OE2 GLU A 60 28.490 -11.056 13.997 1.00 0.00 O ATOM 0 H GLU A 60 26.349 -6.828 11.840 1.00 0.00 H new ATOM 0 HA GLU A 60 24.576 -8.754 12.997 1.00 0.00 H new ATOM 0 HB2 GLU A 60 27.242 -7.565 13.891 1.00 0.00 H new ATOM 0 HB3 GLU A 60 26.441 -8.897 14.700 1.00 0.00 H new ATOM 0 HG2 GLU A 60 26.553 -10.219 12.536 1.00 0.00 H new ATOM 0 HG3 GLU A 60 27.461 -8.903 11.818 1.00 0.00 H new ATOM 895 N ILE A 61 24.745 -5.762 14.379 1.00 0.00 N ATOM 896 CA ILE A 61 24.044 -4.857 15.308 1.00 0.00 C ATOM 897 C ILE A 61 22.572 -4.711 14.902 1.00 0.00 C ATOM 898 O ILE A 61 21.699 -4.800 15.767 1.00 0.00 O ATOM 899 CB ILE A 61 24.797 -3.507 15.428 1.00 0.00 C ATOM 900 CG1 ILE A 61 26.126 -3.740 16.197 1.00 0.00 C ATOM 901 CG2 ILE A 61 23.953 -2.436 16.151 1.00 0.00 C ATOM 902 CD1 ILE A 61 27.119 -2.572 16.130 1.00 0.00 C ATOM 0 H ILE A 61 25.421 -5.288 13.780 1.00 0.00 H new ATOM 0 HA ILE A 61 24.042 -5.288 16.309 1.00 0.00 H new ATOM 0 HB ILE A 61 24.997 -3.136 14.423 1.00 0.00 H new ATOM 0 HG12 ILE A 61 25.894 -3.942 17.243 1.00 0.00 H new ATOM 0 HG13 ILE A 61 26.609 -4.633 15.799 1.00 0.00 H new ATOM 0 HG21 ILE A 61 24.520 -1.507 16.213 1.00 0.00 H new ATOM 0 HG22 ILE A 61 23.031 -2.263 15.595 1.00 0.00 H new ATOM 0 HG23 ILE A 61 23.711 -2.781 17.156 1.00 0.00 H new ATOM 0 HD11 ILE A 61 28.016 -2.825 16.695 1.00 0.00 H new ATOM 0 HD12 ILE A 61 27.386 -2.381 15.091 1.00 0.00 H new ATOM 0 HD13 ILE A 61 26.661 -1.680 16.557 1.00 0.00 H new ATOM 914 N LEU A 62 22.264 -4.569 13.607 1.00 0.00 N ATOM 915 CA LEU A 62 20.870 -4.535 13.140 1.00 0.00 C ATOM 916 C LEU A 62 20.168 -5.903 13.218 1.00 0.00 C ATOM 917 O LEU A 62 18.954 -5.952 13.412 1.00 0.00 O ATOM 918 CB LEU A 62 20.785 -3.935 11.721 1.00 0.00 C ATOM 919 CG LEU A 62 20.865 -2.399 11.595 1.00 0.00 C ATOM 920 CD1 LEU A 62 19.867 -1.706 12.529 1.00 0.00 C ATOM 921 CD2 LEU A 62 22.262 -1.815 11.826 1.00 0.00 C ATOM 0 H LEU A 62 22.958 -4.476 12.865 1.00 0.00 H new ATOM 0 HA LEU A 62 20.327 -3.885 13.826 1.00 0.00 H new ATOM 0 HB2 LEU A 62 21.590 -4.365 11.125 1.00 0.00 H new ATOM 0 HB3 LEU A 62 19.847 -4.262 11.273 1.00 0.00 H new ATOM 0 HG LEU A 62 20.607 -2.199 10.555 1.00 0.00 H new ATOM 0 HD11 LEU A 62 19.951 -0.625 12.414 1.00 0.00 H new ATOM 0 HD12 LEU A 62 18.854 -2.020 12.277 1.00 0.00 H new ATOM 0 HD13 LEU A 62 20.085 -1.979 13.562 1.00 0.00 H new ATOM 0 HD21 LEU A 62 22.226 -0.731 11.718 1.00 0.00 H new ATOM 0 HD22 LEU A 62 22.601 -2.069 12.831 1.00 0.00 H new ATOM 0 HD23 LEU A 62 22.955 -2.229 11.094 1.00 0.00 H new ATOM 933 N ASN A 63 20.901 -7.017 13.148 1.00 0.00 N ATOM 934 CA ASN A 63 20.376 -8.347 13.492 1.00 0.00 C ATOM 935 C ASN A 63 20.087 -8.465 15.005 1.00 0.00 C ATOM 936 O ASN A 63 19.070 -9.027 15.412 1.00 0.00 O ATOM 937 CB ASN A 63 21.377 -9.407 13.017 1.00 0.00 C ATOM 938 CG ASN A 63 20.871 -10.829 13.232 1.00 0.00 C ATOM 939 OD1 ASN A 63 20.925 -11.370 14.331 1.00 0.00 O ATOM 940 ND2 ASN A 63 20.370 -11.483 12.196 1.00 0.00 N ATOM 0 H ASN A 63 21.877 -7.026 12.851 1.00 0.00 H new ATOM 0 HA ASN A 63 19.423 -8.505 12.987 1.00 0.00 H new ATOM 0 HB2 ASN A 63 21.586 -9.256 11.958 1.00 0.00 H new ATOM 0 HB3 ASN A 63 22.319 -9.276 13.549 1.00 0.00 H new ATOM 0 HD21 ASN A 63 20.029 -12.437 12.312 1.00 0.00 H new ATOM 0 HD22 ASN A 63 20.325 -11.033 11.282 1.00 0.00 H new ATOM 947 N SER A 64 20.949 -7.892 15.850 1.00 0.00 N ATOM 948 CA SER A 64 20.756 -7.868 17.309 1.00 0.00 C ATOM 949 C SER A 64 19.554 -7.009 17.735 1.00 0.00 C ATOM 950 O SER A 64 18.807 -7.420 18.625 1.00 0.00 O ATOM 951 CB SER A 64 22.024 -7.382 18.028 1.00 0.00 C ATOM 952 OG SER A 64 23.124 -8.255 17.805 1.00 0.00 O ATOM 0 H SER A 64 21.805 -7.429 15.543 1.00 0.00 H new ATOM 0 HA SER A 64 20.547 -8.896 17.604 1.00 0.00 H new ATOM 0 HB2 SER A 64 22.278 -6.381 17.680 1.00 0.00 H new ATOM 0 HB3 SER A 64 21.830 -7.308 19.098 1.00 0.00 H new ATOM 0 HG SER A 64 23.456 -8.136 16.891 1.00 0.00 H new ATOM 958 N PHE A 65 19.305 -5.869 17.071 1.00 0.00 N ATOM 959 CA PHE A 65 18.226 -4.919 17.377 1.00 0.00 C ATOM 960 C PHE A 65 16.831 -5.569 17.475 1.00 0.00 C ATOM 961 O PHE A 65 16.028 -5.179 18.329 1.00 0.00 O ATOM 962 CB PHE A 65 18.252 -3.802 16.322 1.00 0.00 C ATOM 963 CG PHE A 65 17.167 -2.753 16.478 1.00 0.00 C ATOM 964 CD1 PHE A 65 17.065 -2.000 17.668 1.00 0.00 C ATOM 965 CD2 PHE A 65 16.256 -2.524 15.433 1.00 0.00 C ATOM 966 CE1 PHE A 65 16.056 -1.026 17.807 1.00 0.00 C ATOM 967 CE2 PHE A 65 15.251 -1.552 15.572 1.00 0.00 C ATOM 968 CZ PHE A 65 15.155 -0.798 16.755 1.00 0.00 C ATOM 0 H PHE A 65 19.872 -5.573 16.276 1.00 0.00 H new ATOM 0 HA PHE A 65 18.410 -4.511 18.371 1.00 0.00 H new ATOM 0 HB2 PHE A 65 19.223 -3.308 16.360 1.00 0.00 H new ATOM 0 HB3 PHE A 65 18.162 -4.253 15.334 1.00 0.00 H new ATOM 0 HD1 PHE A 65 17.763 -2.171 18.475 1.00 0.00 H new ATOM 0 HD2 PHE A 65 16.329 -3.097 14.520 1.00 0.00 H new ATOM 0 HE1 PHE A 65 15.976 -0.456 18.721 1.00 0.00 H new ATOM 0 HE2 PHE A 65 14.550 -1.383 14.768 1.00 0.00 H new ATOM 0 HZ PHE A 65 14.388 -0.044 16.854 1.00 0.00 H new ATOM 978 N GLU A 66 16.568 -6.598 16.655 1.00 0.00 N ATOM 979 CA GLU A 66 15.347 -7.414 16.699 1.00 0.00 C ATOM 980 C GLU A 66 15.106 -8.038 18.081 1.00 0.00 C ATOM 981 O GLU A 66 13.985 -8.020 18.587 1.00 0.00 O ATOM 982 CB GLU A 66 15.450 -8.553 15.676 1.00 0.00 C ATOM 983 CG GLU A 66 15.355 -8.086 14.219 1.00 0.00 C ATOM 984 CD GLU A 66 15.244 -9.283 13.264 1.00 0.00 C ATOM 985 OE1 GLU A 66 14.227 -10.013 13.335 1.00 0.00 O ATOM 986 OE2 GLU A 66 16.153 -9.486 12.424 1.00 0.00 O ATOM 0 H GLU A 66 17.216 -6.892 15.924 1.00 0.00 H new ATOM 0 HA GLU A 66 14.515 -6.748 16.471 1.00 0.00 H new ATOM 0 HB2 GLU A 66 16.397 -9.074 15.820 1.00 0.00 H new ATOM 0 HB3 GLU A 66 14.657 -9.275 15.869 1.00 0.00 H new ATOM 0 HG2 GLU A 66 14.488 -7.437 14.097 1.00 0.00 H new ATOM 0 HG3 GLU A 66 16.234 -7.494 13.965 1.00 0.00 H new ATOM 993 N HIS A 67 16.161 -8.569 18.694 1.00 0.00 N ATOM 994 CA HIS A 67 16.127 -9.300 19.964 1.00 0.00 C ATOM 995 C HIS A 67 16.445 -8.391 21.171 1.00 0.00 C ATOM 996 O HIS A 67 16.011 -8.641 22.299 1.00 0.00 O ATOM 997 CB HIS A 67 17.159 -10.438 19.859 1.00 0.00 C ATOM 998 CG HIS A 67 16.929 -11.360 18.681 1.00 0.00 C ATOM 999 ND1 HIS A 67 17.546 -11.291 17.451 1.00 0.00 N ATOM 1000 CD2 HIS A 67 16.049 -12.408 18.626 1.00 0.00 C ATOM 1001 CE1 HIS A 67 17.056 -12.276 16.680 1.00 0.00 C ATOM 1002 NE2 HIS A 67 16.140 -12.994 17.354 1.00 0.00 N ATOM 0 H HIS A 67 17.102 -8.501 18.306 1.00 0.00 H new ATOM 0 HA HIS A 67 15.123 -9.689 20.135 1.00 0.00 H new ATOM 0 HB2 HIS A 67 18.157 -10.006 19.782 1.00 0.00 H new ATOM 0 HB3 HIS A 67 17.136 -11.024 20.778 1.00 0.00 H new ATOM 0 HD2 HIS A 67 15.397 -12.729 19.425 1.00 0.00 H new ATOM 0 HE1 HIS A 67 17.356 -12.465 15.660 1.00 0.00 H new ATOM 0 HE2 HIS A 67 15.618 -13.800 17.011 1.00 0.00 H new ATOM 1010 N GLU A 68 17.217 -7.327 20.935 1.00 0.00 N ATOM 1011 CA GLU A 68 17.621 -6.330 21.917 1.00 0.00 C ATOM 1012 C GLU A 68 16.450 -5.460 22.373 1.00 0.00 C ATOM 1013 O GLU A 68 16.378 -5.126 23.557 1.00 0.00 O ATOM 1014 CB GLU A 68 18.722 -5.470 21.280 1.00 0.00 C ATOM 1015 CG GLU A 68 19.210 -4.262 22.088 1.00 0.00 C ATOM 1016 CD GLU A 68 19.817 -4.624 23.455 1.00 0.00 C ATOM 1017 OE1 GLU A 68 20.405 -5.724 23.610 1.00 0.00 O ATOM 1018 OE2 GLU A 68 19.726 -3.795 24.393 1.00 0.00 O ATOM 0 H GLU A 68 17.593 -7.132 20.007 1.00 0.00 H new ATOM 0 HA GLU A 68 17.990 -6.833 22.811 1.00 0.00 H new ATOM 0 HB2 GLU A 68 19.579 -6.112 21.077 1.00 0.00 H new ATOM 0 HB3 GLU A 68 18.358 -5.110 20.318 1.00 0.00 H new ATOM 0 HG2 GLU A 68 19.956 -3.724 21.502 1.00 0.00 H new ATOM 0 HG3 GLU A 68 18.374 -3.580 22.243 1.00 0.00 H new ATOM 1025 N PHE A 69 15.534 -5.114 21.462 1.00 0.00 N ATOM 1026 CA PHE A 69 14.451 -4.184 21.773 1.00 0.00 C ATOM 1027 C PHE A 69 13.123 -4.506 21.075 1.00 0.00 C ATOM 1028 O PHE A 69 12.077 -4.377 21.714 1.00 0.00 O ATOM 1029 CB PHE A 69 14.930 -2.766 21.432 1.00 0.00 C ATOM 1030 CG PHE A 69 14.054 -1.678 22.019 1.00 0.00 C ATOM 1031 CD1 PHE A 69 14.048 -1.471 23.416 1.00 0.00 C ATOM 1032 CD2 PHE A 69 13.240 -0.877 21.191 1.00 0.00 C ATOM 1033 CE1 PHE A 69 13.223 -0.483 23.978 1.00 0.00 C ATOM 1034 CE2 PHE A 69 12.422 0.113 21.759 1.00 0.00 C ATOM 1035 CZ PHE A 69 12.408 0.307 23.152 1.00 0.00 C ATOM 0 H PHE A 69 15.524 -5.466 20.505 1.00 0.00 H new ATOM 0 HA PHE A 69 14.227 -4.276 22.836 1.00 0.00 H new ATOM 0 HB2 PHE A 69 15.949 -2.637 21.796 1.00 0.00 H new ATOM 0 HB3 PHE A 69 14.962 -2.652 20.348 1.00 0.00 H new ATOM 0 HD1 PHE A 69 14.679 -2.073 24.053 1.00 0.00 H new ATOM 0 HD2 PHE A 69 13.246 -1.025 20.121 1.00 0.00 H new ATOM 0 HE1 PHE A 69 13.216 -0.331 25.047 1.00 0.00 H new ATOM 0 HE2 PHE A 69 11.801 0.728 21.124 1.00 0.00 H new ATOM 0 HZ PHE A 69 11.771 1.063 23.586 1.00 0.00 H new ATOM 1045 N LEU A 70 13.130 -4.920 19.798 1.00 0.00 N ATOM 1046 CA LEU A 70 11.897 -5.032 19.003 1.00 0.00 C ATOM 1047 C LEU A 70 10.940 -6.128 19.511 1.00 0.00 C ATOM 1048 O LEU A 70 9.783 -5.839 19.824 1.00 0.00 O ATOM 1049 CB LEU A 70 12.255 -5.198 17.509 1.00 0.00 C ATOM 1050 CG LEU A 70 11.472 -4.287 16.547 1.00 0.00 C ATOM 1051 CD1 LEU A 70 9.948 -4.339 16.751 1.00 0.00 C ATOM 1052 CD2 LEU A 70 11.943 -2.829 16.658 1.00 0.00 C ATOM 0 H LEU A 70 13.977 -5.183 19.294 1.00 0.00 H new ATOM 0 HA LEU A 70 11.337 -4.105 19.124 1.00 0.00 H new ATOM 0 HB2 LEU A 70 13.320 -5.004 17.383 1.00 0.00 H new ATOM 0 HB3 LEU A 70 12.084 -6.236 17.223 1.00 0.00 H new ATOM 0 HG LEU A 70 11.682 -4.675 15.550 1.00 0.00 H new ATOM 0 HD11 LEU A 70 9.463 -3.672 16.038 1.00 0.00 H new ATOM 0 HD12 LEU A 70 9.594 -5.358 16.593 1.00 0.00 H new ATOM 0 HD13 LEU A 70 9.706 -4.024 17.766 1.00 0.00 H new ATOM 0 HD21 LEU A 70 11.372 -2.209 15.967 1.00 0.00 H new ATOM 0 HD22 LEU A 70 11.789 -2.473 17.677 1.00 0.00 H new ATOM 0 HD23 LEU A 70 13.003 -2.769 16.409 1.00 0.00 H new ATOM 1064 N SER A 71 11.410 -7.370 19.654 1.00 0.00 N ATOM 1065 CA SER A 71 10.602 -8.481 20.185 1.00 0.00 C ATOM 1066 C SER A 71 10.198 -8.263 21.650 1.00 0.00 C ATOM 1067 O SER A 71 9.047 -8.497 22.028 1.00 0.00 O ATOM 1068 CB SER A 71 11.348 -9.817 20.030 1.00 0.00 C ATOM 1069 OG SER A 71 12.554 -9.863 20.785 1.00 0.00 O ATOM 0 H SER A 71 12.362 -7.638 19.406 1.00 0.00 H new ATOM 0 HA SER A 71 9.684 -8.514 19.598 1.00 0.00 H new ATOM 0 HB2 SER A 71 10.696 -10.631 20.345 1.00 0.00 H new ATOM 0 HB3 SER A 71 11.577 -9.981 18.977 1.00 0.00 H new ATOM 0 HG SER A 71 12.989 -10.731 20.654 1.00 0.00 H new ATOM 1075 N LYS A 72 11.107 -7.736 22.482 1.00 0.00 N ATOM 1076 CA LYS A 72 10.856 -7.463 23.905 1.00 0.00 C ATOM 1077 C LYS A 72 9.860 -6.307 24.148 1.00 0.00 C ATOM 1078 O LYS A 72 9.265 -6.232 25.227 1.00 0.00 O ATOM 1079 CB LYS A 72 12.198 -7.228 24.628 1.00 0.00 C ATOM 1080 CG LYS A 72 13.151 -8.439 24.545 1.00 0.00 C ATOM 1081 CD LYS A 72 14.043 -8.562 25.791 1.00 0.00 C ATOM 1082 CE LYS A 72 15.072 -7.435 25.901 1.00 0.00 C ATOM 1083 NZ LYS A 72 16.239 -7.673 25.019 1.00 0.00 N ATOM 0 H LYS A 72 12.049 -7.484 22.183 1.00 0.00 H new ATOM 0 HA LYS A 72 10.369 -8.343 24.325 1.00 0.00 H new ATOM 0 HB2 LYS A 72 12.689 -6.356 24.195 1.00 0.00 H new ATOM 0 HB3 LYS A 72 12.004 -6.997 25.675 1.00 0.00 H new ATOM 0 HG2 LYS A 72 12.567 -9.352 24.427 1.00 0.00 H new ATOM 0 HG3 LYS A 72 13.779 -8.345 23.659 1.00 0.00 H new ATOM 0 HD2 LYS A 72 13.415 -8.562 26.682 1.00 0.00 H new ATOM 0 HD3 LYS A 72 14.562 -9.520 25.767 1.00 0.00 H new ATOM 0 HE2 LYS A 72 14.603 -6.487 25.637 1.00 0.00 H new ATOM 0 HE3 LYS A 72 15.408 -7.348 26.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 16.595 -6.764 24.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 16.989 -8.151 25.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 15.953 -8.272 24.218 1.00 0.00 H new