USER MOD reduce.3.24.130724 H: found=0, std=0, add=831, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 826 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 96 THR OG1 : rot 180:sc= 0.695 USER MOD Set 1.2: A 99 SER OG : rot -110:sc= 0.778 USER MOD Set 2.1: A 52 SER OG : rot 99:sc= 0.802 USER MOD Set 2.2: A 61 HIS : no HD1:sc= 0.759 K(o=1.6,f=-5.7!) USER MOD Single : A 10 GLN : amide:sc= -0.342 X(o=-0.34,f=-0.42) USER MOD Single : A 11 LYS NZ :NH3+ 163:sc= 1.23 (180deg=1.15) USER MOD Single : A 14 HIS : no HD1:sc= -0.377 X(o=-0.38,f=-0.13) USER MOD Single : A 16 GLN : amide:sc= 1.16 K(o=1.2,f=-0.046) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 HIS :FLIP no HD1:sc= -0.752 F(o=-2,f=-0.75) USER MOD Single : A 34 HIS : no HD1:sc= -0.0229 X(o=-0.023,f=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 46 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0146) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= 0.0926 X(o=0.093,f=-0.04) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot -4:sc= 1.03 USER MOD Single : A 87 HIS : no HD1:sc=-0.00122 X(o=-0.0012,f=-0.021) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= 0.844 K(o=0.84,f=-0.14) USER MOD Single : A 93 GLN : amide:sc=-0.00753 K(o=-0.0075,f=-0.68) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 170:sc= -0.013 (180deg=-0.123) USER MOD Single : A 104 HIS : no HD1:sc= -0.0159 X(o=-0.016,f=0) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N GLU A 8 10.062 6.022 6.826 1.00 0.00 N ATOM 67 CA GLU A 8 10.253 5.656 5.427 1.00 0.00 C ATOM 68 C GLU A 8 9.378 6.526 4.521 1.00 0.00 C ATOM 69 O GLU A 8 9.645 6.620 3.333 1.00 0.00 O ATOM 70 CB GLU A 8 10.010 4.149 5.226 1.00 0.00 C ATOM 71 CG GLU A 8 10.923 3.526 4.157 1.00 0.00 C ATOM 72 CD GLU A 8 12.375 3.353 4.632 1.00 0.00 C ATOM 73 OE1 GLU A 8 13.001 4.314 5.147 1.00 0.00 O ATOM 74 OE2 GLU A 8 12.932 2.238 4.510 1.00 0.00 O ATOM 0 HA GLU A 8 11.288 5.848 5.142 1.00 0.00 H new ATOM 0 HB2 GLU A 8 10.166 3.633 6.173 1.00 0.00 H new ATOM 0 HB3 GLU A 8 8.969 3.990 4.944 1.00 0.00 H new ATOM 0 HG2 GLU A 8 10.523 2.554 3.868 1.00 0.00 H new ATOM 0 HG3 GLU A 8 10.911 4.154 3.266 1.00 0.00 H new ATOM 81 N VAL A 9 8.395 7.230 5.082 1.00 0.00 N ATOM 82 CA VAL A 9 7.456 8.120 4.412 1.00 0.00 C ATOM 83 C VAL A 9 8.157 9.105 3.468 1.00 0.00 C ATOM 84 O VAL A 9 7.648 9.374 2.375 1.00 0.00 O ATOM 85 CB VAL A 9 6.651 8.876 5.493 1.00 0.00 C ATOM 86 CG1 VAL A 9 5.504 9.692 4.879 1.00 0.00 C ATOM 87 CG2 VAL A 9 6.111 7.936 6.581 1.00 0.00 C ATOM 0 H VAL A 9 8.225 7.188 6.087 1.00 0.00 H new ATOM 0 HA VAL A 9 6.790 7.523 3.788 1.00 0.00 H new ATOM 0 HB VAL A 9 7.350 9.566 5.966 1.00 0.00 H new ATOM 0 HG11 VAL A 9 4.961 10.209 5.670 1.00 0.00 H new ATOM 0 HG12 VAL A 9 5.911 10.423 4.180 1.00 0.00 H new ATOM 0 HG13 VAL A 9 4.825 9.024 4.350 1.00 0.00 H new ATOM 0 HG21 VAL A 9 5.553 8.514 7.317 1.00 0.00 H new ATOM 0 HG22 VAL A 9 5.453 7.194 6.128 1.00 0.00 H new ATOM 0 HG23 VAL A 9 6.943 7.431 7.072 1.00 0.00 H new ATOM 97 N GLN A 10 9.306 9.660 3.880 1.00 0.00 N ATOM 98 CA GLN A 10 10.016 10.618 3.039 1.00 0.00 C ATOM 99 C GLN A 10 10.757 9.962 1.866 1.00 0.00 C ATOM 100 O GLN A 10 11.027 10.655 0.881 1.00 0.00 O ATOM 101 CB GLN A 10 10.959 11.491 3.878 1.00 0.00 C ATOM 102 CG GLN A 10 10.218 12.453 4.826 1.00 0.00 C ATOM 103 CD GLN A 10 9.637 11.787 6.073 1.00 0.00 C ATOM 104 OE1 GLN A 10 10.310 11.029 6.769 1.00 0.00 O ATOM 105 NE2 GLN A 10 8.383 12.053 6.399 1.00 0.00 N ATOM 0 H GLN A 10 9.753 9.463 4.776 1.00 0.00 H new ATOM 0 HA GLN A 10 9.256 11.259 2.593 1.00 0.00 H new ATOM 0 HB2 GLN A 10 11.613 10.846 4.465 1.00 0.00 H new ATOM 0 HB3 GLN A 10 11.597 12.070 3.210 1.00 0.00 H new ATOM 0 HG2 GLN A 10 10.906 13.240 5.136 1.00 0.00 H new ATOM 0 HG3 GLN A 10 9.410 12.935 4.276 1.00 0.00 H new ATOM 0 HE21 GLN A 10 7.828 12.682 5.819 1.00 0.00 H new ATOM 0 HE22 GLN A 10 7.971 11.629 7.230 1.00 0.00 H new ATOM 114 N LYS A 11 11.096 8.670 1.956 1.00 0.00 N ATOM 115 CA LYS A 11 11.796 7.954 0.890 1.00 0.00 C ATOM 116 C LYS A 11 10.865 7.835 -0.316 1.00 0.00 C ATOM 117 O LYS A 11 9.641 7.854 -0.143 1.00 0.00 O ATOM 118 CB LYS A 11 12.157 6.520 1.331 1.00 0.00 C ATOM 119 CG LYS A 11 13.061 6.372 2.557 1.00 0.00 C ATOM 120 CD LYS A 11 14.538 6.654 2.259 1.00 0.00 C ATOM 121 CE LYS A 11 15.417 6.505 3.508 1.00 0.00 C ATOM 122 NZ LYS A 11 15.449 5.132 4.057 1.00 0.00 N ATOM 0 H LYS A 11 10.891 8.094 2.772 1.00 0.00 H new ATOM 0 HA LYS A 11 12.705 8.505 0.650 1.00 0.00 H new ATOM 0 HB2 LYS A 11 11.229 5.984 1.529 1.00 0.00 H new ATOM 0 HB3 LYS A 11 12.641 6.020 0.492 1.00 0.00 H new ATOM 0 HG2 LYS A 11 12.718 7.052 3.337 1.00 0.00 H new ATOM 0 HG3 LYS A 11 12.964 5.361 2.951 1.00 0.00 H new ATOM 0 HD2 LYS A 11 14.888 5.970 1.486 1.00 0.00 H new ATOM 0 HD3 LYS A 11 14.641 7.664 1.862 1.00 0.00 H new ATOM 0 HE2 LYS A 11 16.434 6.812 3.264 1.00 0.00 H new ATOM 0 HE3 LYS A 11 15.055 7.186 4.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 16.260 5.034 4.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 14.569 4.946 4.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 15.540 4.449 3.278 1.00 0.00 H new ATOM 136 N PRO A 12 11.397 7.664 -1.535 1.00 0.00 N ATOM 137 CA PRO A 12 10.554 7.512 -2.711 1.00 0.00 C ATOM 138 C PRO A 12 9.755 6.209 -2.594 1.00 0.00 C ATOM 139 O PRO A 12 10.069 5.342 -1.772 1.00 0.00 O ATOM 140 CB PRO A 12 11.523 7.485 -3.893 1.00 0.00 C ATOM 141 CG PRO A 12 12.815 6.961 -3.280 1.00 0.00 C ATOM 142 CD PRO A 12 12.805 7.616 -1.903 1.00 0.00 C ATOM 0 HA PRO A 12 9.826 8.315 -2.828 1.00 0.00 H new ATOM 0 HB2 PRO A 12 11.165 6.835 -4.691 1.00 0.00 H new ATOM 0 HB3 PRO A 12 11.657 8.477 -4.325 1.00 0.00 H new ATOM 0 HG2 PRO A 12 12.823 5.873 -3.214 1.00 0.00 H new ATOM 0 HG3 PRO A 12 13.689 7.251 -3.863 1.00 0.00 H new ATOM 0 HD2 PRO A 12 13.384 7.037 -1.184 1.00 0.00 H new ATOM 0 HD3 PRO A 12 13.242 8.614 -1.935 1.00 0.00 H new ATOM 150 N LEU A 13 8.707 6.060 -3.405 1.00 0.00 N ATOM 151 CA LEU A 13 7.879 4.857 -3.402 1.00 0.00 C ATOM 152 C LEU A 13 8.742 3.642 -3.739 1.00 0.00 C ATOM 153 O LEU A 13 8.556 2.584 -3.148 1.00 0.00 O ATOM 154 CB LEU A 13 6.699 5.021 -4.374 1.00 0.00 C ATOM 155 CG LEU A 13 6.016 3.692 -4.785 1.00 0.00 C ATOM 156 CD1 LEU A 13 4.516 3.890 -4.960 1.00 0.00 C ATOM 157 CD2 LEU A 13 6.572 3.205 -6.122 1.00 0.00 C ATOM 0 H LEU A 13 8.411 6.766 -4.078 1.00 0.00 H new ATOM 0 HA LEU A 13 7.456 4.700 -2.410 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.954 5.671 -3.915 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.052 5.526 -5.273 1.00 0.00 H new ATOM 0 HG LEU A 13 6.212 2.965 -3.997 1.00 0.00 H new ATOM 0 HD11 LEU A 13 4.055 2.945 -5.249 1.00 0.00 H new ATOM 0 HD12 LEU A 13 4.082 4.233 -4.021 1.00 0.00 H new ATOM 0 HD13 LEU A 13 4.335 4.634 -5.736 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.084 2.271 -6.400 1.00 0.00 H new ATOM 0 HD22 LEU A 13 6.383 3.955 -6.890 1.00 0.00 H new ATOM 0 HD23 LEU A 13 7.646 3.041 -6.031 1.00 0.00 H new ATOM 169 N HIS A 14 9.714 3.802 -4.638 1.00 0.00 N ATOM 170 CA HIS A 14 10.579 2.706 -5.041 1.00 0.00 C ATOM 171 C HIS A 14 11.516 2.192 -3.938 1.00 0.00 C ATOM 172 O HIS A 14 12.175 1.179 -4.159 1.00 0.00 O ATOM 173 CB HIS A 14 11.331 3.075 -6.323 1.00 0.00 C ATOM 174 CG HIS A 14 12.438 4.086 -6.161 1.00 0.00 C ATOM 175 ND1 HIS A 14 12.455 5.376 -6.653 1.00 0.00 N ATOM 176 CD2 HIS A 14 13.675 3.831 -5.630 1.00 0.00 C ATOM 177 CE1 HIS A 14 13.675 5.886 -6.422 1.00 0.00 C ATOM 178 NE2 HIS A 14 14.453 4.977 -5.815 1.00 0.00 N ATOM 0 H HIS A 14 9.918 4.688 -5.100 1.00 0.00 H new ATOM 0 HA HIS A 14 9.928 1.856 -5.245 1.00 0.00 H new ATOM 0 HB2 HIS A 14 11.754 2.165 -6.750 1.00 0.00 H new ATOM 0 HB3 HIS A 14 10.613 3.462 -7.046 1.00 0.00 H new ATOM 0 HD2 HIS A 14 13.991 2.913 -5.156 1.00 0.00 H new ATOM 0 HE1 HIS A 14 13.986 6.886 -6.687 1.00 0.00 H new ATOM 0 HE2 HIS A 14 15.428 5.099 -5.541 1.00 0.00 H new ATOM 186 N GLU A 15 11.617 2.870 -2.790 1.00 0.00 N ATOM 187 CA GLU A 15 12.471 2.463 -1.669 1.00 0.00 C ATOM 188 C GLU A 15 11.649 1.820 -0.551 1.00 0.00 C ATOM 189 O GLU A 15 12.206 1.238 0.382 1.00 0.00 O ATOM 190 CB GLU A 15 13.188 3.703 -1.102 1.00 0.00 C ATOM 191 CG GLU A 15 14.519 4.017 -1.786 1.00 0.00 C ATOM 192 CD GLU A 15 15.601 3.021 -1.370 1.00 0.00 C ATOM 193 OE1 GLU A 15 15.641 1.902 -1.914 1.00 0.00 O ATOM 194 OE2 GLU A 15 16.444 3.338 -0.502 1.00 0.00 O ATOM 0 H GLU A 15 11.100 3.731 -2.611 1.00 0.00 H new ATOM 0 HA GLU A 15 13.192 1.734 -2.038 1.00 0.00 H new ATOM 0 HB2 GLU A 15 12.529 4.566 -1.197 1.00 0.00 H new ATOM 0 HB3 GLU A 15 13.365 3.553 -0.037 1.00 0.00 H new ATOM 0 HG2 GLU A 15 14.391 3.988 -2.868 1.00 0.00 H new ATOM 0 HG3 GLU A 15 14.834 5.029 -1.529 1.00 0.00 H new ATOM 201 N GLN A 16 10.324 1.929 -0.619 1.00 0.00 N ATOM 202 CA GLN A 16 9.419 1.399 0.377 1.00 0.00 C ATOM 203 C GLN A 16 9.506 -0.116 0.470 1.00 0.00 C ATOM 204 O GLN A 16 9.499 -0.817 -0.543 1.00 0.00 O ATOM 205 CB GLN A 16 7.986 1.801 0.030 1.00 0.00 C ATOM 206 CG GLN A 16 7.794 3.319 -0.052 1.00 0.00 C ATOM 207 CD GLN A 16 7.975 4.038 1.276 1.00 0.00 C ATOM 208 OE1 GLN A 16 7.606 3.541 2.338 1.00 0.00 O ATOM 209 NE2 GLN A 16 8.539 5.229 1.220 1.00 0.00 N ATOM 0 H GLN A 16 9.847 2.400 -1.388 1.00 0.00 H new ATOM 0 HA GLN A 16 9.707 1.814 1.343 1.00 0.00 H new ATOM 0 HB2 GLN A 16 7.710 1.353 -0.925 1.00 0.00 H new ATOM 0 HB3 GLN A 16 7.308 1.394 0.781 1.00 0.00 H new ATOM 0 HG2 GLN A 16 8.503 3.726 -0.773 1.00 0.00 H new ATOM 0 HG3 GLN A 16 6.795 3.528 -0.434 1.00 0.00 H new ATOM 0 HE21 GLN A 16 8.834 5.612 0.322 1.00 0.00 H new ATOM 0 HE22 GLN A 16 8.681 5.767 2.075 1.00 0.00 H new ATOM 218 N LEU A 17 9.511 -0.627 1.702 1.00 0.00 N ATOM 219 CA LEU A 17 9.565 -2.059 1.968 1.00 0.00 C ATOM 220 C LEU A 17 8.390 -2.772 1.281 1.00 0.00 C ATOM 221 O LEU A 17 8.587 -3.829 0.690 1.00 0.00 O ATOM 222 CB LEU A 17 9.666 -2.374 3.475 1.00 0.00 C ATOM 223 CG LEU A 17 8.409 -2.159 4.345 1.00 0.00 C ATOM 224 CD1 LEU A 17 8.593 -2.782 5.730 1.00 0.00 C ATOM 225 CD2 LEU A 17 8.094 -0.667 4.543 1.00 0.00 C ATOM 0 H LEU A 17 9.477 -0.054 2.545 1.00 0.00 H new ATOM 0 HA LEU A 17 10.485 -2.452 1.534 1.00 0.00 H new ATOM 0 HB2 LEU A 17 9.970 -3.416 3.579 1.00 0.00 H new ATOM 0 HB3 LEU A 17 10.468 -1.765 3.891 1.00 0.00 H new ATOM 0 HG LEU A 17 7.586 -2.637 3.814 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.695 -2.618 6.325 1.00 0.00 H new ATOM 0 HD12 LEU A 17 8.769 -3.853 5.627 1.00 0.00 H new ATOM 0 HD13 LEU A 17 9.446 -2.320 6.226 1.00 0.00 H new ATOM 0 HD21 LEU A 17 7.202 -0.562 5.161 1.00 0.00 H new ATOM 0 HD22 LEU A 17 8.936 -0.180 5.035 1.00 0.00 H new ATOM 0 HD23 LEU A 17 7.921 -0.200 3.574 1.00 0.00 H new ATOM 237 N TRP A 18 7.203 -2.153 1.307 1.00 0.00 N ATOM 238 CA TRP A 18 5.964 -2.654 0.726 1.00 0.00 C ATOM 239 C TRP A 18 5.905 -2.578 -0.804 1.00 0.00 C ATOM 240 O TRP A 18 4.944 -3.077 -1.396 1.00 0.00 O ATOM 241 CB TRP A 18 4.776 -1.905 1.356 1.00 0.00 C ATOM 242 CG TRP A 18 4.899 -0.425 1.569 1.00 0.00 C ATOM 243 CD1 TRP A 18 5.182 0.205 2.734 1.00 0.00 C ATOM 244 CD2 TRP A 18 4.677 0.637 0.595 1.00 0.00 C ATOM 245 NE1 TRP A 18 5.144 1.570 2.546 1.00 0.00 N ATOM 246 CE2 TRP A 18 4.738 1.885 1.272 1.00 0.00 C ATOM 247 CE3 TRP A 18 4.446 0.678 -0.793 1.00 0.00 C ATOM 248 CZ2 TRP A 18 4.494 3.098 0.630 1.00 0.00 C ATOM 249 CZ3 TRP A 18 4.250 1.900 -1.467 1.00 0.00 C ATOM 250 CH2 TRP A 18 4.244 3.110 -0.752 1.00 0.00 C ATOM 0 H TRP A 18 7.081 -1.246 1.757 1.00 0.00 H new ATOM 0 HA TRP A 18 5.916 -3.718 0.956 1.00 0.00 H new ATOM 0 HB2 TRP A 18 3.903 -2.079 0.727 1.00 0.00 H new ATOM 0 HB3 TRP A 18 4.569 -2.364 2.323 1.00 0.00 H new ATOM 0 HD1 TRP A 18 5.404 -0.288 3.669 1.00 0.00 H new ATOM 0 HE1 TRP A 18 5.386 2.257 3.260 1.00 0.00 H new ATOM 0 HE3 TRP A 18 4.418 -0.245 -1.352 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 4.497 4.021 1.191 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 4.104 1.907 -2.537 1.00 0.00 H new ATOM 0 HH2 TRP A 18 4.049 4.042 -1.261 1.00 0.00 H new ATOM 261 N TYR A 19 6.843 -1.902 -1.470 1.00 0.00 N ATOM 262 CA TYR A 19 6.840 -1.814 -2.919 1.00 0.00 C ATOM 263 C TYR A 19 7.597 -3.026 -3.446 1.00 0.00 C ATOM 264 O TYR A 19 8.818 -3.094 -3.298 1.00 0.00 O ATOM 265 CB TYR A 19 7.464 -0.496 -3.368 1.00 0.00 C ATOM 266 CG TYR A 19 7.494 -0.351 -4.872 1.00 0.00 C ATOM 267 CD1 TYR A 19 6.288 -0.231 -5.588 1.00 0.00 C ATOM 268 CD2 TYR A 19 8.723 -0.333 -5.558 1.00 0.00 C ATOM 269 CE1 TYR A 19 6.313 -0.005 -6.972 1.00 0.00 C ATOM 270 CE2 TYR A 19 8.758 -0.078 -6.938 1.00 0.00 C ATOM 271 CZ TYR A 19 7.553 0.135 -7.640 1.00 0.00 C ATOM 272 OH TYR A 19 7.589 0.516 -8.943 1.00 0.00 O ATOM 0 H TYR A 19 7.614 -1.408 -1.021 1.00 0.00 H new ATOM 0 HA TYR A 19 5.826 -1.822 -3.319 1.00 0.00 H new ATOM 0 HB2 TYR A 19 6.902 0.333 -2.938 1.00 0.00 H new ATOM 0 HB3 TYR A 19 8.480 -0.428 -2.980 1.00 0.00 H new ATOM 0 HD1 TYR A 19 5.343 -0.313 -5.071 1.00 0.00 H new ATOM 0 HD2 TYR A 19 9.642 -0.516 -5.021 1.00 0.00 H new ATOM 0 HE1 TYR A 19 5.389 0.062 -7.526 1.00 0.00 H new ATOM 0 HE2 TYR A 19 9.703 -0.045 -7.460 1.00 0.00 H new ATOM 0 HH TYR A 19 8.520 0.564 -9.244 1.00 0.00 H new ATOM 282 N HIS A 20 6.885 -3.980 -4.046 1.00 0.00 N ATOM 283 CA HIS A 20 7.509 -5.188 -4.575 1.00 0.00 C ATOM 284 C HIS A 20 8.174 -4.974 -5.943 1.00 0.00 C ATOM 285 O HIS A 20 9.377 -5.191 -6.058 1.00 0.00 O ATOM 286 CB HIS A 20 6.502 -6.339 -4.564 1.00 0.00 C ATOM 287 CG HIS A 20 6.441 -7.010 -3.213 1.00 0.00 C ATOM 288 ND1 HIS A 20 5.847 -6.521 -2.084 1.00 0.00 N flip ATOM 289 CD2 HIS A 20 7.088 -8.172 -2.864 1.00 0.00 C flip ATOM 290 CE1 HIS A 20 6.119 -7.399 -1.035 1.00 0.00 C flip ATOM 291 NE2 HIS A 20 6.890 -8.371 -1.550 1.00 0.00 N flip ATOM 0 H HIS A 20 5.874 -3.937 -4.177 1.00 0.00 H new ATOM 0 HA HIS A 20 8.334 -5.459 -3.917 1.00 0.00 H new ATOM 0 HB2 HIS A 20 5.514 -5.962 -4.829 1.00 0.00 H new ATOM 0 HB3 HIS A 20 6.777 -7.072 -5.323 1.00 0.00 H new ATOM 0 HD2 HIS A 20 7.654 -8.810 -3.527 1.00 0.00 H new ATOM 0 HE1 HIS A 20 5.778 -7.314 -0.014 1.00 0.00 H new ATOM 0 HE2 HIS A 20 7.272 -9.152 -1.017 1.00 0.00 H new ATOM 299 N GLY A 21 7.444 -4.547 -6.984 1.00 0.00 N ATOM 300 CA GLY A 21 8.025 -4.338 -8.313 1.00 0.00 C ATOM 301 C GLY A 21 7.344 -5.178 -9.393 1.00 0.00 C ATOM 302 O GLY A 21 7.788 -6.282 -9.707 1.00 0.00 O ATOM 0 H GLY A 21 6.447 -4.340 -6.928 1.00 0.00 H new ATOM 0 HA2 GLY A 21 7.948 -3.283 -8.577 1.00 0.00 H new ATOM 0 HA3 GLY A 21 9.087 -4.583 -8.284 1.00 0.00 H new ATOM 306 N ALA A 22 6.238 -4.663 -9.942 1.00 0.00 N ATOM 307 CA ALA A 22 5.396 -5.231 -11.002 1.00 0.00 C ATOM 308 C ALA A 22 5.122 -6.736 -10.851 1.00 0.00 C ATOM 309 O ALA A 22 5.016 -7.462 -11.845 1.00 0.00 O ATOM 310 CB ALA A 22 6.030 -4.887 -12.358 1.00 0.00 C ATOM 0 H ALA A 22 5.878 -3.761 -9.630 1.00 0.00 H new ATOM 0 HA ALA A 22 4.407 -4.780 -10.925 1.00 0.00 H new ATOM 0 HB1 ALA A 22 5.419 -5.300 -13.161 1.00 0.00 H new ATOM 0 HB2 ALA A 22 6.089 -3.804 -12.468 1.00 0.00 H new ATOM 0 HB3 ALA A 22 7.032 -5.312 -12.409 1.00 0.00 H new ATOM 316 N ILE A 23 5.028 -7.235 -9.620 1.00 0.00 N ATOM 317 CA ILE A 23 4.791 -8.648 -9.347 1.00 0.00 C ATOM 318 C ILE A 23 3.380 -9.079 -9.773 1.00 0.00 C ATOM 319 O ILE A 23 2.451 -8.262 -9.710 1.00 0.00 O ATOM 320 CB ILE A 23 5.070 -8.948 -7.860 1.00 0.00 C ATOM 321 CG1 ILE A 23 4.184 -8.122 -6.902 1.00 0.00 C ATOM 322 CG2 ILE A 23 6.561 -8.696 -7.580 1.00 0.00 C ATOM 323 CD1 ILE A 23 4.159 -8.729 -5.500 1.00 0.00 C ATOM 0 H ILE A 23 5.115 -6.665 -8.779 1.00 0.00 H new ATOM 0 HA ILE A 23 5.482 -9.241 -9.947 1.00 0.00 H new ATOM 0 HB ILE A 23 4.819 -9.992 -7.671 1.00 0.00 H new ATOM 0 HG12 ILE A 23 4.557 -7.099 -6.850 1.00 0.00 H new ATOM 0 HG13 ILE A 23 3.169 -8.071 -7.296 1.00 0.00 H new ATOM 0 HG21 ILE A 23 6.775 -8.904 -6.532 1.00 0.00 H new ATOM 0 HG22 ILE A 23 7.165 -9.349 -8.210 1.00 0.00 H new ATOM 0 HG23 ILE A 23 6.802 -7.656 -7.800 1.00 0.00 H new ATOM 0 HD11 ILE A 23 3.526 -8.122 -4.852 1.00 0.00 H new ATOM 0 HD12 ILE A 23 3.762 -9.743 -5.549 1.00 0.00 H new ATOM 0 HD13 ILE A 23 5.171 -8.755 -5.097 1.00 0.00 H new ATOM 335 N PRO A 24 3.193 -10.343 -10.191 1.00 0.00 N ATOM 336 CA PRO A 24 1.891 -10.845 -10.600 1.00 0.00 C ATOM 337 C PRO A 24 1.046 -11.199 -9.376 1.00 0.00 C ATOM 338 O PRO A 24 1.565 -11.425 -8.281 1.00 0.00 O ATOM 339 CB PRO A 24 2.205 -12.108 -11.409 1.00 0.00 C ATOM 340 CG PRO A 24 3.462 -12.656 -10.731 1.00 0.00 C ATOM 341 CD PRO A 24 4.207 -11.386 -10.318 1.00 0.00 C ATOM 0 HA PRO A 24 1.325 -10.110 -11.173 1.00 0.00 H new ATOM 0 HB2 PRO A 24 1.384 -12.824 -11.373 1.00 0.00 H new ATOM 0 HB3 PRO A 24 2.382 -11.879 -12.460 1.00 0.00 H new ATOM 0 HG2 PRO A 24 3.218 -13.279 -9.871 1.00 0.00 H new ATOM 0 HG3 PRO A 24 4.054 -13.269 -11.411 1.00 0.00 H new ATOM 0 HD2 PRO A 24 4.735 -11.533 -9.376 1.00 0.00 H new ATOM 0 HD3 PRO A 24 4.955 -11.114 -11.063 1.00 0.00 H new ATOM 349 N ARG A 25 -0.267 -11.360 -9.563 1.00 0.00 N ATOM 350 CA ARG A 25 -1.186 -11.728 -8.479 1.00 0.00 C ATOM 351 C ARG A 25 -0.776 -13.069 -7.850 1.00 0.00 C ATOM 352 O ARG A 25 -1.071 -13.309 -6.680 1.00 0.00 O ATOM 353 CB ARG A 25 -2.608 -11.806 -9.037 1.00 0.00 C ATOM 354 CG ARG A 25 -3.726 -11.817 -7.988 1.00 0.00 C ATOM 355 CD ARG A 25 -5.018 -12.375 -8.596 1.00 0.00 C ATOM 356 NE ARG A 25 -4.927 -13.838 -8.736 1.00 0.00 N ATOM 357 CZ ARG A 25 -5.899 -14.738 -8.568 1.00 0.00 C ATOM 358 NH1 ARG A 25 -7.162 -14.375 -8.345 1.00 0.00 N ATOM 359 NH2 ARG A 25 -5.562 -16.020 -8.588 1.00 0.00 N ATOM 0 H ARG A 25 -0.723 -11.240 -10.467 1.00 0.00 H new ATOM 0 HA ARG A 25 -1.144 -10.970 -7.697 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -2.766 -10.958 -9.703 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -2.693 -12.708 -9.644 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -3.426 -12.423 -7.133 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -3.897 -10.806 -7.618 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -5.867 -12.116 -7.964 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -5.195 -11.920 -9.570 1.00 0.00 H new ATOM 0 HE ARG A 25 -4.012 -14.208 -8.992 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -7.408 -13.386 -8.299 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -7.883 -15.086 -8.221 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -4.588 -16.289 -8.728 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -6.277 -16.737 -8.463 1.00 0.00 H new ATOM 373 N ALA A 26 -0.110 -13.940 -8.620 1.00 0.00 N ATOM 374 CA ALA A 26 0.368 -15.243 -8.173 1.00 0.00 C ATOM 375 C ALA A 26 1.399 -15.095 -7.047 1.00 0.00 C ATOM 376 O ALA A 26 1.605 -16.038 -6.298 1.00 0.00 O ATOM 377 CB ALA A 26 0.968 -15.999 -9.359 1.00 0.00 C ATOM 0 H ALA A 26 0.114 -13.747 -9.596 1.00 0.00 H new ATOM 0 HA ALA A 26 -0.474 -15.810 -7.775 1.00 0.00 H new ATOM 0 HB1 ALA A 26 1.326 -16.973 -9.026 1.00 0.00 H new ATOM 0 HB2 ALA A 26 0.206 -16.135 -10.127 1.00 0.00 H new ATOM 0 HB3 ALA A 26 1.800 -15.428 -9.771 1.00 0.00 H new ATOM 383 N GLU A 27 2.086 -13.953 -6.948 1.00 0.00 N ATOM 384 CA GLU A 27 3.056 -13.680 -5.895 1.00 0.00 C ATOM 385 C GLU A 27 2.311 -12.957 -4.783 1.00 0.00 C ATOM 386 O GLU A 27 2.370 -13.355 -3.625 1.00 0.00 O ATOM 387 CB GLU A 27 4.194 -12.780 -6.407 1.00 0.00 C ATOM 388 CG GLU A 27 5.394 -13.586 -6.892 1.00 0.00 C ATOM 389 CD GLU A 27 6.077 -14.298 -5.723 1.00 0.00 C ATOM 390 OE1 GLU A 27 6.911 -13.679 -5.025 1.00 0.00 O ATOM 391 OE2 GLU A 27 5.796 -15.499 -5.498 1.00 0.00 O ATOM 0 H GLU A 27 1.979 -13.184 -7.609 1.00 0.00 H new ATOM 0 HA GLU A 27 3.500 -14.613 -5.548 1.00 0.00 H new ATOM 0 HB2 GLU A 27 3.824 -12.158 -7.222 1.00 0.00 H new ATOM 0 HB3 GLU A 27 4.509 -12.107 -5.610 1.00 0.00 H new ATOM 0 HG2 GLU A 27 5.071 -14.319 -7.632 1.00 0.00 H new ATOM 0 HG3 GLU A 27 6.106 -12.925 -7.387 1.00 0.00 H new ATOM 398 N VAL A 28 1.564 -11.917 -5.158 1.00 0.00 N ATOM 399 CA VAL A 28 0.786 -11.083 -4.260 1.00 0.00 C ATOM 400 C VAL A 28 -0.022 -11.925 -3.284 1.00 0.00 C ATOM 401 O VAL A 28 0.156 -11.763 -2.077 1.00 0.00 O ATOM 402 CB VAL A 28 -0.118 -10.145 -5.064 1.00 0.00 C ATOM 403 CG1 VAL A 28 -1.004 -9.266 -4.174 1.00 0.00 C ATOM 404 CG2 VAL A 28 0.693 -9.224 -5.982 1.00 0.00 C ATOM 0 H VAL A 28 1.486 -11.627 -6.133 1.00 0.00 H new ATOM 0 HA VAL A 28 1.474 -10.478 -3.670 1.00 0.00 H new ATOM 0 HB VAL A 28 -0.753 -10.803 -5.658 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.623 -8.622 -4.799 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -1.644 -9.899 -3.560 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -0.376 -8.651 -3.530 1.00 0.00 H new ATOM 0 HG21 VAL A 28 0.016 -8.574 -6.536 1.00 0.00 H new ATOM 0 HG22 VAL A 28 1.370 -8.616 -5.382 1.00 0.00 H new ATOM 0 HG23 VAL A 28 1.271 -9.826 -6.683 1.00 0.00 H new ATOM 414 N ALA A 29 -0.902 -12.800 -3.779 1.00 0.00 N ATOM 415 CA ALA A 29 -1.734 -13.622 -2.907 1.00 0.00 C ATOM 416 C ALA A 29 -0.969 -14.446 -1.872 1.00 0.00 C ATOM 417 O ALA A 29 -1.593 -14.863 -0.901 1.00 0.00 O ATOM 418 CB ALA A 29 -2.575 -14.557 -3.763 1.00 0.00 C ATOM 0 H ALA A 29 -1.054 -12.954 -4.776 1.00 0.00 H new ATOM 0 HA ALA A 29 -2.346 -12.924 -2.336 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -3.200 -15.176 -3.119 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -3.208 -13.970 -4.429 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -1.920 -15.196 -4.355 1.00 0.00 H new ATOM 424 N GLU A 30 0.333 -14.669 -2.046 1.00 0.00 N ATOM 425 CA GLU A 30 1.125 -15.454 -1.118 1.00 0.00 C ATOM 426 C GLU A 30 1.921 -14.563 -0.155 1.00 0.00 C ATOM 427 O GLU A 30 2.264 -15.018 0.933 1.00 0.00 O ATOM 428 CB GLU A 30 2.021 -16.440 -1.893 1.00 0.00 C ATOM 429 CG GLU A 30 1.321 -17.114 -3.094 1.00 0.00 C ATOM 430 CD GLU A 30 -0.078 -17.670 -2.793 1.00 0.00 C ATOM 431 OE1 GLU A 30 -0.296 -18.228 -1.693 1.00 0.00 O ATOM 432 OE2 GLU A 30 -0.995 -17.517 -3.638 1.00 0.00 O ATOM 0 H GLU A 30 0.864 -14.307 -2.838 1.00 0.00 H new ATOM 0 HA GLU A 30 0.452 -16.040 -0.492 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.903 -15.909 -2.251 1.00 0.00 H new ATOM 0 HB3 GLU A 30 2.370 -17.213 -1.208 1.00 0.00 H new ATOM 0 HG2 GLU A 30 1.242 -16.389 -3.904 1.00 0.00 H new ATOM 0 HG3 GLU A 30 1.951 -17.928 -3.454 1.00 0.00 H new ATOM 439 N LEU A 31 2.195 -13.296 -0.497 1.00 0.00 N ATOM 440 CA LEU A 31 2.932 -12.374 0.343 1.00 0.00 C ATOM 441 C LEU A 31 2.092 -11.969 1.552 1.00 0.00 C ATOM 442 O LEU A 31 2.629 -11.857 2.657 1.00 0.00 O ATOM 443 CB LEU A 31 3.288 -11.168 -0.529 1.00 0.00 C ATOM 444 CG LEU A 31 4.362 -11.450 -1.588 1.00 0.00 C ATOM 445 CD1 LEU A 31 4.389 -10.292 -2.587 1.00 0.00 C ATOM 446 CD2 LEU A 31 5.705 -11.644 -0.908 1.00 0.00 C ATOM 0 H LEU A 31 1.900 -12.887 -1.384 1.00 0.00 H new ATOM 0 HA LEU A 31 3.840 -12.832 0.736 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.385 -10.816 -1.029 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.632 -10.358 0.114 1.00 0.00 H new ATOM 0 HG LEU A 31 4.134 -12.365 -2.134 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.149 -10.483 -3.344 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.414 -10.202 -3.066 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.623 -9.365 -2.063 1.00 0.00 H new ATOM 0 HD21 LEU A 31 6.468 -11.844 -1.660 1.00 0.00 H new ATOM 0 HD22 LEU A 31 5.967 -10.741 -0.356 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.645 -12.486 -0.218 1.00 0.00 H new ATOM 458 N LEU A 32 0.797 -11.671 1.366 1.00 0.00 N ATOM 459 CA LEU A 32 -0.031 -11.313 2.525 1.00 0.00 C ATOM 460 C LEU A 32 -0.443 -12.621 3.193 1.00 0.00 C ATOM 461 O LEU A 32 -0.892 -13.533 2.492 1.00 0.00 O ATOM 462 CB LEU A 32 -1.290 -10.507 2.184 1.00 0.00 C ATOM 463 CG LEU A 32 -1.189 -9.638 0.929 1.00 0.00 C ATOM 464 CD1 LEU A 32 -1.884 -10.361 -0.232 1.00 0.00 C ATOM 465 CD2 LEU A 32 -1.889 -8.314 1.102 1.00 0.00 C ATOM 0 H LEU A 32 0.318 -11.670 0.466 1.00 0.00 H new ATOM 0 HA LEU A 32 0.562 -10.665 3.170 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -2.123 -11.200 2.061 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.532 -9.866 3.032 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.130 -9.465 0.737 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -1.818 -9.750 -1.132 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -1.396 -11.320 -0.407 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.932 -10.527 0.018 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.792 -7.729 0.187 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.944 -8.485 1.313 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.437 -7.769 1.931 1.00 0.00 H new ATOM 477 N VAL A 33 -0.355 -12.689 4.520 1.00 0.00 N ATOM 478 CA VAL A 33 -0.703 -13.882 5.289 1.00 0.00 C ATOM 479 C VAL A 33 -1.626 -13.537 6.460 1.00 0.00 C ATOM 480 O VAL A 33 -2.480 -14.348 6.811 1.00 0.00 O ATOM 481 CB VAL A 33 0.588 -14.568 5.794 1.00 0.00 C ATOM 482 CG1 VAL A 33 0.315 -15.918 6.478 1.00 0.00 C ATOM 483 CG2 VAL A 33 1.623 -14.816 4.687 1.00 0.00 C ATOM 0 H VAL A 33 -0.037 -11.910 5.097 1.00 0.00 H new ATOM 0 HA VAL A 33 -1.243 -14.570 4.639 1.00 0.00 H new ATOM 0 HB VAL A 33 0.992 -13.856 6.514 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.257 -16.354 6.812 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.339 -15.765 7.337 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.167 -16.593 5.771 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.502 -15.300 5.113 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.190 -15.460 3.921 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.913 -13.865 4.240 1.00 0.00 H new ATOM 493 N HIS A 34 -1.514 -12.343 7.055 1.00 0.00 N ATOM 494 CA HIS A 34 -2.335 -11.934 8.193 1.00 0.00 C ATOM 495 C HIS A 34 -3.209 -10.736 7.801 1.00 0.00 C ATOM 496 O HIS A 34 -2.704 -9.766 7.237 1.00 0.00 O ATOM 497 CB HIS A 34 -1.386 -11.638 9.370 1.00 0.00 C ATOM 498 CG HIS A 34 -0.496 -12.793 9.789 1.00 0.00 C ATOM 499 ND1 HIS A 34 0.720 -12.694 10.438 1.00 0.00 N ATOM 500 CD2 HIS A 34 -0.770 -14.128 9.645 1.00 0.00 C ATOM 501 CE1 HIS A 34 1.156 -13.942 10.679 1.00 0.00 C ATOM 502 NE2 HIS A 34 0.290 -14.849 10.203 1.00 0.00 N ATOM 0 H HIS A 34 -0.846 -11.632 6.756 1.00 0.00 H new ATOM 0 HA HIS A 34 -3.025 -12.721 8.499 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -0.754 -10.792 9.102 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -1.983 -11.330 10.229 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -1.650 -14.549 9.182 1.00 0.00 H new ATOM 0 HE1 HIS A 34 2.078 -14.182 11.187 1.00 0.00 H new ATOM 0 HE2 HIS A 34 0.386 -15.864 10.241 1.00 0.00 H new ATOM 510 N SER A 35 -4.513 -10.768 8.101 1.00 0.00 N ATOM 511 CA SER A 35 -5.451 -9.690 7.771 1.00 0.00 C ATOM 512 C SER A 35 -4.949 -8.341 8.294 1.00 0.00 C ATOM 513 O SER A 35 -4.766 -8.148 9.499 1.00 0.00 O ATOM 514 CB SER A 35 -6.861 -10.017 8.257 1.00 0.00 C ATOM 515 OG SER A 35 -7.386 -11.067 7.466 1.00 0.00 O ATOM 0 H SER A 35 -4.951 -11.552 8.585 1.00 0.00 H new ATOM 0 HA SER A 35 -5.505 -9.606 6.686 1.00 0.00 H new ATOM 0 HB2 SER A 35 -6.840 -10.310 9.307 1.00 0.00 H new ATOM 0 HB3 SER A 35 -7.498 -9.136 8.185 1.00 0.00 H new ATOM 0 HG SER A 35 -8.291 -11.286 7.772 1.00 0.00 H new ATOM 521 N GLY A 36 -4.677 -7.415 7.378 1.00 0.00 N ATOM 522 CA GLY A 36 -4.157 -6.084 7.617 1.00 0.00 C ATOM 523 C GLY A 36 -2.787 -5.941 6.948 1.00 0.00 C ATOM 524 O GLY A 36 -2.239 -4.840 6.909 1.00 0.00 O ATOM 0 H GLY A 36 -4.826 -7.593 6.385 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -4.846 -5.337 7.222 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -4.071 -5.903 8.688 1.00 0.00 H new ATOM 528 N ASP A 37 -2.185 -7.049 6.497 1.00 0.00 N ATOM 529 CA ASP A 37 -0.902 -7.050 5.796 1.00 0.00 C ATOM 530 C ASP A 37 -1.179 -6.334 4.475 1.00 0.00 C ATOM 531 O ASP A 37 -2.252 -6.556 3.903 1.00 0.00 O ATOM 532 CB ASP A 37 -0.436 -8.475 5.426 1.00 0.00 C ATOM 533 CG ASP A 37 0.238 -9.298 6.523 1.00 0.00 C ATOM 534 OD1 ASP A 37 0.438 -8.793 7.652 1.00 0.00 O ATOM 535 OD2 ASP A 37 0.566 -10.472 6.205 1.00 0.00 O ATOM 0 H ASP A 37 -2.584 -7.981 6.612 1.00 0.00 H new ATOM 0 HA ASP A 37 -0.139 -6.593 6.426 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -1.303 -9.032 5.071 1.00 0.00 H new ATOM 0 HB3 ASP A 37 0.257 -8.397 4.589 1.00 0.00 H new ATOM 540 N PHE A 38 -0.253 -5.517 3.969 1.00 0.00 N ATOM 541 CA PHE A 38 -0.423 -4.806 2.706 1.00 0.00 C ATOM 542 C PHE A 38 0.894 -4.630 1.951 1.00 0.00 C ATOM 543 O PHE A 38 1.982 -4.736 2.523 1.00 0.00 O ATOM 544 CB PHE A 38 -1.065 -3.428 2.945 1.00 0.00 C ATOM 545 CG PHE A 38 -0.110 -2.370 3.469 1.00 0.00 C ATOM 546 CD1 PHE A 38 0.125 -2.256 4.850 1.00 0.00 C ATOM 547 CD2 PHE A 38 0.574 -1.525 2.572 1.00 0.00 C ATOM 548 CE1 PHE A 38 1.049 -1.312 5.330 1.00 0.00 C ATOM 549 CE2 PHE A 38 1.489 -0.576 3.057 1.00 0.00 C ATOM 550 CZ PHE A 38 1.725 -0.466 4.435 1.00 0.00 C ATOM 0 H PHE A 38 0.639 -5.331 4.428 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.080 -5.419 2.089 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -1.499 -3.076 2.009 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -1.885 -3.542 3.654 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -0.404 -2.894 5.542 1.00 0.00 H new ATOM 0 HD2 PHE A 38 0.394 -1.607 1.510 1.00 0.00 H new ATOM 0 HE1 PHE A 38 1.240 -1.237 6.390 1.00 0.00 H new ATOM 0 HE2 PHE A 38 2.012 0.070 2.367 1.00 0.00 H new ATOM 0 HZ PHE A 38 2.425 0.267 4.807 1.00 0.00 H new ATOM 560 N LEU A 39 0.773 -4.318 0.659 1.00 0.00 N ATOM 561 CA LEU A 39 1.857 -4.073 -0.287 1.00 0.00 C ATOM 562 C LEU A 39 1.326 -3.237 -1.464 1.00 0.00 C ATOM 563 O LEU A 39 0.117 -2.991 -1.553 1.00 0.00 O ATOM 564 CB LEU A 39 2.535 -5.396 -0.717 1.00 0.00 C ATOM 565 CG LEU A 39 1.884 -6.307 -1.781 1.00 0.00 C ATOM 566 CD1 LEU A 39 0.375 -6.377 -1.583 1.00 0.00 C ATOM 567 CD2 LEU A 39 2.157 -5.901 -3.238 1.00 0.00 C ATOM 0 H LEU A 39 -0.143 -4.225 0.221 1.00 0.00 H new ATOM 0 HA LEU A 39 2.645 -3.492 0.192 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.532 -5.143 -1.078 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.665 -5.997 0.183 1.00 0.00 H new ATOM 0 HG LEU A 39 2.354 -7.278 -1.626 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.062 -7.024 -2.344 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.156 -6.780 -0.594 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.050 -5.377 -1.669 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.659 -6.600 -3.910 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.776 -4.895 -3.413 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.231 -5.920 -3.426 1.00 0.00 H new ATOM 579 N VAL A 40 2.205 -2.777 -2.358 1.00 0.00 N ATOM 580 CA VAL A 40 1.855 -1.994 -3.545 1.00 0.00 C ATOM 581 C VAL A 40 2.525 -2.668 -4.740 1.00 0.00 C ATOM 582 O VAL A 40 3.711 -3.011 -4.687 1.00 0.00 O ATOM 583 CB VAL A 40 2.263 -0.513 -3.404 1.00 0.00 C ATOM 584 CG1 VAL A 40 2.093 0.290 -4.706 1.00 0.00 C ATOM 585 CG2 VAL A 40 1.425 0.178 -2.317 1.00 0.00 C ATOM 0 H VAL A 40 3.208 -2.944 -2.273 1.00 0.00 H new ATOM 0 HA VAL A 40 0.774 -1.976 -3.682 1.00 0.00 H new ATOM 0 HB VAL A 40 3.320 -0.526 -3.140 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.397 1.323 -4.539 1.00 0.00 H new ATOM 0 HG12 VAL A 40 2.713 -0.149 -5.488 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.048 0.265 -5.015 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.728 1.222 -2.233 1.00 0.00 H new ATOM 0 HG22 VAL A 40 0.369 0.127 -2.584 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.583 -0.324 -1.362 1.00 0.00 H new ATOM 595 N ARG A 41 1.766 -2.854 -5.824 1.00 0.00 N ATOM 596 CA ARG A 41 2.241 -3.476 -7.053 1.00 0.00 C ATOM 597 C ARG A 41 1.840 -2.609 -8.235 1.00 0.00 C ATOM 598 O ARG A 41 0.745 -2.050 -8.241 1.00 0.00 O ATOM 599 CB ARG A 41 1.655 -4.899 -7.171 1.00 0.00 C ATOM 600 CG ARG A 41 0.125 -4.912 -7.399 1.00 0.00 C ATOM 601 CD ARG A 41 -0.454 -6.318 -7.265 1.00 0.00 C ATOM 602 NE ARG A 41 -1.925 -6.364 -7.432 1.00 0.00 N ATOM 603 CZ ARG A 41 -2.594 -6.640 -8.563 1.00 0.00 C ATOM 604 NH1 ARG A 41 -1.961 -6.748 -9.723 1.00 0.00 N ATOM 605 NH2 ARG A 41 -3.917 -6.823 -8.530 1.00 0.00 N ATOM 0 H ARG A 41 0.787 -2.570 -5.868 1.00 0.00 H new ATOM 0 HA ARG A 41 3.328 -3.561 -7.041 1.00 0.00 H new ATOM 0 HB2 ARG A 41 2.143 -5.418 -7.996 1.00 0.00 H new ATOM 0 HB3 ARG A 41 1.885 -5.456 -6.263 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -0.356 -4.250 -6.679 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -0.098 -4.519 -8.391 1.00 0.00 H new ATOM 0 HD2 ARG A 41 0.010 -6.967 -8.008 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -0.194 -6.719 -6.285 1.00 0.00 H new ATOM 0 HE ARG A 41 -2.487 -6.166 -6.604 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -0.950 -6.621 -9.766 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -2.485 -6.958 -10.572 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -4.420 -6.753 -7.645 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -4.424 -7.033 -9.390 1.00 0.00 H new ATOM 619 N GLU A 42 2.725 -2.452 -9.207 1.00 0.00 N ATOM 620 CA GLU A 42 2.447 -1.690 -10.413 1.00 0.00 C ATOM 621 C GLU A 42 1.614 -2.630 -11.307 1.00 0.00 C ATOM 622 O GLU A 42 1.770 -3.859 -11.241 1.00 0.00 O ATOM 623 CB GLU A 42 3.783 -1.259 -11.034 1.00 0.00 C ATOM 624 CG GLU A 42 3.670 -0.458 -12.342 1.00 0.00 C ATOM 625 CD GLU A 42 5.039 -0.080 -12.925 1.00 0.00 C ATOM 626 OE1 GLU A 42 6.035 -0.003 -12.162 1.00 0.00 O ATOM 627 OE2 GLU A 42 5.136 0.141 -14.155 1.00 0.00 O ATOM 0 H GLU A 42 3.663 -2.853 -9.180 1.00 0.00 H new ATOM 0 HA GLU A 42 1.885 -0.771 -10.246 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.327 -0.658 -10.305 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.382 -2.150 -11.223 1.00 0.00 H new ATOM 0 HG2 GLU A 42 3.117 -1.044 -13.076 1.00 0.00 H new ATOM 0 HG3 GLU A 42 3.094 0.449 -12.159 1.00 0.00 H new ATOM 634 N SER A 43 0.700 -2.075 -12.101 1.00 0.00 N ATOM 635 CA SER A 43 -0.159 -2.831 -13.009 1.00 0.00 C ATOM 636 C SER A 43 0.699 -3.521 -14.075 1.00 0.00 C ATOM 637 O SER A 43 1.828 -3.102 -14.334 1.00 0.00 O ATOM 638 CB SER A 43 -1.149 -1.846 -13.634 1.00 0.00 C ATOM 639 OG SER A 43 -2.124 -2.468 -14.455 1.00 0.00 O ATOM 0 H SER A 43 0.533 -1.069 -12.131 1.00 0.00 H new ATOM 0 HA SER A 43 -0.708 -3.610 -12.480 1.00 0.00 H new ATOM 0 HB2 SER A 43 -1.652 -1.296 -12.839 1.00 0.00 H new ATOM 0 HB3 SER A 43 -0.598 -1.116 -14.227 1.00 0.00 H new ATOM 0 HG SER A 43 -2.726 -1.787 -14.822 1.00 0.00 H new ATOM 645 N GLN A 44 0.182 -4.576 -14.713 1.00 0.00 N ATOM 646 CA GLN A 44 0.913 -5.302 -15.747 1.00 0.00 C ATOM 647 C GLN A 44 0.925 -4.488 -17.051 1.00 0.00 C ATOM 648 O GLN A 44 0.079 -4.695 -17.929 1.00 0.00 O ATOM 649 CB GLN A 44 0.360 -6.732 -15.908 1.00 0.00 C ATOM 650 CG GLN A 44 1.214 -7.560 -16.890 1.00 0.00 C ATOM 651 CD GLN A 44 0.900 -9.059 -16.885 1.00 0.00 C ATOM 652 OE1 GLN A 44 -0.187 -9.497 -16.495 1.00 0.00 O ATOM 653 NE2 GLN A 44 1.825 -9.875 -17.358 1.00 0.00 N ATOM 0 H GLN A 44 -0.750 -4.946 -14.526 1.00 0.00 H new ATOM 0 HA GLN A 44 1.954 -5.423 -15.448 1.00 0.00 H new ATOM 0 HB2 GLN A 44 0.338 -7.226 -14.937 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -0.668 -6.688 -16.266 1.00 0.00 H new ATOM 0 HG2 GLN A 44 1.066 -7.173 -17.898 1.00 0.00 H new ATOM 0 HG3 GLN A 44 2.267 -7.420 -16.646 1.00 0.00 H new ATOM 0 HE21 GLN A 44 2.719 -9.502 -17.677 1.00 0.00 H new ATOM 0 HE22 GLN A 44 1.645 -10.878 -17.404 1.00 0.00 H new ATOM 662 N GLY A 45 1.874 -3.560 -17.180 1.00 0.00 N ATOM 663 CA GLY A 45 2.065 -2.705 -18.344 1.00 0.00 C ATOM 664 C GLY A 45 1.538 -1.280 -18.225 1.00 0.00 C ATOM 665 O GLY A 45 1.472 -0.604 -19.251 1.00 0.00 O ATOM 0 H GLY A 45 2.557 -3.379 -16.444 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.132 -2.659 -18.564 1.00 0.00 H new ATOM 0 HA3 GLY A 45 1.583 -3.178 -19.200 1.00 0.00 H new ATOM 669 N LYS A 46 1.113 -0.805 -17.049 1.00 0.00 N ATOM 670 CA LYS A 46 0.616 0.565 -16.892 1.00 0.00 C ATOM 671 C LYS A 46 1.247 1.157 -15.649 1.00 0.00 C ATOM 672 O LYS A 46 1.418 0.445 -14.662 1.00 0.00 O ATOM 673 CB LYS A 46 -0.921 0.620 -16.814 1.00 0.00 C ATOM 674 CG LYS A 46 -1.567 0.023 -18.068 1.00 0.00 C ATOM 675 CD LYS A 46 -3.086 0.210 -18.092 1.00 0.00 C ATOM 676 CE LYS A 46 -3.718 -0.303 -19.396 1.00 0.00 C ATOM 677 NZ LYS A 46 -3.534 -1.758 -19.582 1.00 0.00 N ATOM 0 H LYS A 46 1.104 -1.353 -16.189 1.00 0.00 H new ATOM 0 HA LYS A 46 0.894 1.148 -17.770 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -1.262 0.076 -15.933 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -1.244 1.654 -16.694 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -1.133 0.489 -18.953 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -1.334 -1.041 -18.121 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -3.528 -0.316 -17.246 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -3.321 1.267 -17.968 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -4.783 -0.072 -19.395 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -3.278 0.226 -20.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -4.050 -2.067 -20.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -2.522 -1.968 -19.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -3.901 -2.263 -18.750 1.00 0.00 H new ATOM 691 N GLN A 47 1.537 2.458 -15.686 1.00 0.00 N ATOM 692 CA GLN A 47 2.151 3.238 -14.613 1.00 0.00 C ATOM 693 C GLN A 47 1.126 3.540 -13.503 1.00 0.00 C ATOM 694 O GLN A 47 1.093 4.641 -12.946 1.00 0.00 O ATOM 695 CB GLN A 47 2.760 4.511 -15.231 1.00 0.00 C ATOM 696 CG GLN A 47 3.866 4.192 -16.253 1.00 0.00 C ATOM 697 CD GLN A 47 4.638 5.442 -16.652 1.00 0.00 C ATOM 698 OE1 GLN A 47 5.783 5.658 -16.258 1.00 0.00 O ATOM 699 NE2 GLN A 47 4.034 6.305 -17.443 1.00 0.00 N ATOM 0 H GLN A 47 1.339 3.026 -16.510 1.00 0.00 H new ATOM 0 HA GLN A 47 2.950 2.672 -14.133 1.00 0.00 H new ATOM 0 HB2 GLN A 47 1.974 5.088 -15.718 1.00 0.00 H new ATOM 0 HB3 GLN A 47 3.170 5.137 -14.438 1.00 0.00 H new ATOM 0 HG2 GLN A 47 4.553 3.459 -15.830 1.00 0.00 H new ATOM 0 HG3 GLN A 47 3.423 3.739 -17.140 1.00 0.00 H new ATOM 0 HE21 GLN A 47 3.084 6.122 -17.767 1.00 0.00 H new ATOM 0 HE22 GLN A 47 4.516 7.157 -17.731 1.00 0.00 H new ATOM 708 N GLU A 48 0.259 2.575 -13.226 1.00 0.00 N ATOM 709 CA GLU A 48 -0.817 2.562 -12.260 1.00 0.00 C ATOM 710 C GLU A 48 -0.372 1.717 -11.065 1.00 0.00 C ATOM 711 O GLU A 48 0.174 0.628 -11.260 1.00 0.00 O ATOM 712 CB GLU A 48 -1.997 1.899 -12.987 1.00 0.00 C ATOM 713 CG GLU A 48 -3.264 1.754 -12.145 1.00 0.00 C ATOM 714 CD GLU A 48 -4.134 3.009 -12.217 1.00 0.00 C ATOM 715 OE1 GLU A 48 -3.675 4.094 -11.798 1.00 0.00 O ATOM 716 OE2 GLU A 48 -5.238 2.916 -12.810 1.00 0.00 O ATOM 0 H GLU A 48 0.303 1.690 -13.731 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.088 3.552 -11.894 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.233 2.483 -13.877 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -1.688 0.911 -13.327 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -3.836 0.894 -12.492 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -2.992 1.558 -11.108 1.00 0.00 H new ATOM 723 N TYR A 49 -0.603 2.190 -9.839 1.00 0.00 N ATOM 724 CA TYR A 49 -0.237 1.476 -8.622 1.00 0.00 C ATOM 725 C TYR A 49 -1.487 0.871 -7.999 1.00 0.00 C ATOM 726 O TYR A 49 -2.515 1.535 -7.868 1.00 0.00 O ATOM 727 CB TYR A 49 0.432 2.428 -7.632 1.00 0.00 C ATOM 728 CG TYR A 49 1.740 3.015 -8.115 1.00 0.00 C ATOM 729 CD1 TYR A 49 2.837 2.179 -8.403 1.00 0.00 C ATOM 730 CD2 TYR A 49 1.859 4.407 -8.258 1.00 0.00 C ATOM 731 CE1 TYR A 49 4.069 2.735 -8.792 1.00 0.00 C ATOM 732 CE2 TYR A 49 3.092 4.973 -8.608 1.00 0.00 C ATOM 733 CZ TYR A 49 4.211 4.143 -8.845 1.00 0.00 C ATOM 734 OH TYR A 49 5.392 4.737 -9.155 1.00 0.00 O ATOM 0 H TYR A 49 -1.054 3.088 -9.665 1.00 0.00 H new ATOM 0 HA TYR A 49 0.467 0.682 -8.869 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -0.257 3.242 -7.408 1.00 0.00 H new ATOM 0 HB3 TYR A 49 0.610 1.895 -6.698 1.00 0.00 H new ATOM 0 HD1 TYR A 49 2.731 1.107 -8.325 1.00 0.00 H new ATOM 0 HD2 TYR A 49 1.000 5.041 -8.098 1.00 0.00 H new ATOM 0 HE1 TYR A 49 4.899 2.094 -9.048 1.00 0.00 H new ATOM 0 HE2 TYR A 49 3.187 6.045 -8.697 1.00 0.00 H new ATOM 0 HH TYR A 49 5.282 5.711 -9.140 1.00 0.00 H new ATOM 744 N VAL A 50 -1.397 -0.376 -7.559 1.00 0.00 N ATOM 745 CA VAL A 50 -2.485 -1.114 -6.951 1.00 0.00 C ATOM 746 C VAL A 50 -2.072 -1.536 -5.553 1.00 0.00 C ATOM 747 O VAL A 50 -1.023 -2.156 -5.365 1.00 0.00 O ATOM 748 CB VAL A 50 -2.829 -2.335 -7.830 1.00 0.00 C ATOM 749 CG1 VAL A 50 -3.841 -3.261 -7.136 1.00 0.00 C ATOM 750 CG2 VAL A 50 -3.372 -1.892 -9.194 1.00 0.00 C ATOM 0 H VAL A 50 -0.534 -0.916 -7.619 1.00 0.00 H new ATOM 0 HA VAL A 50 -3.376 -0.491 -6.875 1.00 0.00 H new ATOM 0 HB VAL A 50 -1.906 -2.894 -7.984 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -4.060 -4.110 -7.783 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.421 -3.620 -6.196 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -4.760 -2.710 -6.936 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.607 -2.771 -9.795 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -4.275 -1.298 -9.051 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -2.621 -1.292 -9.707 1.00 0.00 H new ATOM 760 N LEU A 51 -2.862 -1.136 -4.562 1.00 0.00 N ATOM 761 CA LEU A 51 -2.632 -1.510 -3.183 1.00 0.00 C ATOM 762 C LEU A 51 -3.339 -2.851 -3.040 1.00 0.00 C ATOM 763 O LEU A 51 -4.440 -3.042 -3.569 1.00 0.00 O ATOM 764 CB LEU A 51 -3.311 -0.530 -2.217 1.00 0.00 C ATOM 765 CG LEU A 51 -3.000 -0.833 -0.737 1.00 0.00 C ATOM 766 CD1 LEU A 51 -1.658 -0.244 -0.309 1.00 0.00 C ATOM 767 CD2 LEU A 51 -4.101 -0.272 0.151 1.00 0.00 C ATOM 0 H LEU A 51 -3.680 -0.542 -4.699 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.567 -1.526 -2.954 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.988 0.485 -2.450 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.390 -0.565 -2.371 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.947 -1.916 -0.628 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.475 -0.479 0.740 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.862 -0.670 -0.920 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.677 0.838 -0.440 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.874 -0.490 1.194 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -4.166 0.807 0.012 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -5.053 -0.730 -0.116 1.00 0.00 H new ATOM 779 N SER A 52 -2.733 -3.788 -2.336 1.00 0.00 N ATOM 780 CA SER A 52 -3.336 -5.076 -2.095 1.00 0.00 C ATOM 781 C SER A 52 -3.140 -5.326 -0.610 1.00 0.00 C ATOM 782 O SER A 52 -2.041 -5.128 -0.092 1.00 0.00 O ATOM 783 CB SER A 52 -2.738 -6.159 -3.005 1.00 0.00 C ATOM 784 OG SER A 52 -3.766 -6.948 -3.538 1.00 0.00 O ATOM 0 H SER A 52 -1.810 -3.674 -1.917 1.00 0.00 H new ATOM 0 HA SER A 52 -4.397 -5.102 -2.342 1.00 0.00 H new ATOM 0 HB2 SER A 52 -2.167 -5.697 -3.810 1.00 0.00 H new ATOM 0 HB3 SER A 52 -2.045 -6.781 -2.439 1.00 0.00 H new ATOM 0 HG SER A 52 -3.977 -6.642 -4.445 1.00 0.00 H new ATOM 790 N VAL A 53 -4.222 -5.642 0.094 1.00 0.00 N ATOM 791 CA VAL A 53 -4.185 -5.946 1.523 1.00 0.00 C ATOM 792 C VAL A 53 -5.032 -7.212 1.731 1.00 0.00 C ATOM 793 O VAL A 53 -5.754 -7.623 0.820 1.00 0.00 O ATOM 794 CB VAL A 53 -4.511 -4.733 2.429 1.00 0.00 C ATOM 795 CG1 VAL A 53 -4.513 -3.368 1.732 1.00 0.00 C ATOM 796 CG2 VAL A 53 -5.779 -4.881 3.221 1.00 0.00 C ATOM 0 H VAL A 53 -5.156 -5.695 -0.312 1.00 0.00 H new ATOM 0 HA VAL A 53 -3.170 -6.162 1.855 1.00 0.00 H new ATOM 0 HB VAL A 53 -3.663 -4.745 3.114 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -4.753 -2.590 2.457 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.529 -3.176 1.305 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -5.259 -3.366 0.938 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -5.934 -3.990 3.829 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -6.621 -5.007 2.540 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -5.703 -5.754 3.870 1.00 0.00 H new ATOM 806 N LEU A 54 -4.918 -7.878 2.875 1.00 0.00 N ATOM 807 CA LEU A 54 -5.661 -9.095 3.192 1.00 0.00 C ATOM 808 C LEU A 54 -6.670 -8.763 4.279 1.00 0.00 C ATOM 809 O LEU A 54 -6.330 -8.012 5.194 1.00 0.00 O ATOM 810 CB LEU A 54 -4.654 -10.163 3.643 1.00 0.00 C ATOM 811 CG LEU A 54 -5.249 -11.482 4.167 1.00 0.00 C ATOM 812 CD1 LEU A 54 -6.128 -12.175 3.129 1.00 0.00 C ATOM 813 CD2 LEU A 54 -4.107 -12.417 4.550 1.00 0.00 C ATOM 0 H LEU A 54 -4.293 -7.581 3.625 1.00 0.00 H new ATOM 0 HA LEU A 54 -6.205 -9.482 2.331 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -3.999 -10.393 2.802 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -4.029 -9.735 4.426 1.00 0.00 H new ATOM 0 HG LEU A 54 -5.875 -11.247 5.028 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -6.524 -13.101 3.547 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -6.954 -11.518 2.855 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -5.535 -12.402 2.243 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -4.515 -13.356 4.923 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -3.488 -12.613 3.674 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -3.500 -11.951 5.326 1.00 0.00 H new ATOM 825 N TRP A 55 -7.895 -9.282 4.183 1.00 0.00 N ATOM 826 CA TRP A 55 -8.930 -9.047 5.176 1.00 0.00 C ATOM 827 C TRP A 55 -9.966 -10.157 5.084 1.00 0.00 C ATOM 828 O TRP A 55 -10.380 -10.491 3.976 1.00 0.00 O ATOM 829 CB TRP A 55 -9.592 -7.696 4.921 1.00 0.00 C ATOM 830 CG TRP A 55 -10.247 -7.107 6.126 1.00 0.00 C ATOM 831 CD1 TRP A 55 -11.556 -7.207 6.444 1.00 0.00 C ATOM 832 CD2 TRP A 55 -9.625 -6.351 7.206 1.00 0.00 C ATOM 833 NE1 TRP A 55 -11.791 -6.535 7.626 1.00 0.00 N ATOM 834 CE2 TRP A 55 -10.638 -5.987 8.142 1.00 0.00 C ATOM 835 CE3 TRP A 55 -8.308 -5.931 7.487 1.00 0.00 C ATOM 836 CZ2 TRP A 55 -10.361 -5.236 9.293 1.00 0.00 C ATOM 837 CZ3 TRP A 55 -8.019 -5.188 8.646 1.00 0.00 C ATOM 838 CH2 TRP A 55 -9.040 -4.835 9.545 1.00 0.00 C ATOM 0 H TRP A 55 -8.192 -9.878 3.410 1.00 0.00 H new ATOM 0 HA TRP A 55 -8.489 -9.040 6.173 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -8.841 -6.998 4.550 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -10.337 -7.810 4.134 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -12.302 -7.731 5.864 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -12.708 -6.454 8.065 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -7.511 -6.183 6.803 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -11.154 -4.970 9.977 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -7.002 -4.886 8.847 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -8.809 -4.257 10.427 1.00 0.00 H new ATOM 849 N ASP A 56 -10.423 -10.691 6.220 1.00 0.00 N ATOM 850 CA ASP A 56 -11.419 -11.769 6.310 1.00 0.00 C ATOM 851 C ASP A 56 -11.041 -12.975 5.439 1.00 0.00 C ATOM 852 O ASP A 56 -11.880 -13.672 4.850 1.00 0.00 O ATOM 853 CB ASP A 56 -12.825 -11.218 6.038 1.00 0.00 C ATOM 854 CG ASP A 56 -13.935 -12.140 6.541 1.00 0.00 C ATOM 855 OD1 ASP A 56 -13.684 -13.030 7.389 1.00 0.00 O ATOM 856 OD2 ASP A 56 -15.103 -11.868 6.172 1.00 0.00 O ATOM 0 H ASP A 56 -10.101 -10.376 7.135 1.00 0.00 H new ATOM 0 HA ASP A 56 -11.428 -12.156 7.329 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -12.926 -10.243 6.515 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -12.947 -11.062 4.966 1.00 0.00 H new ATOM 861 N GLY A 57 -9.731 -13.210 5.353 1.00 0.00 N ATOM 862 CA GLY A 57 -9.142 -14.280 4.580 1.00 0.00 C ATOM 863 C GLY A 57 -9.395 -14.090 3.087 1.00 0.00 C ATOM 864 O GLY A 57 -9.709 -15.061 2.401 1.00 0.00 O ATOM 0 H GLY A 57 -9.039 -12.639 5.837 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -8.069 -14.319 4.767 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -9.556 -15.235 4.903 1.00 0.00 H new ATOM 868 N LEU A 58 -9.301 -12.860 2.575 1.00 0.00 N ATOM 869 CA LEU A 58 -9.508 -12.530 1.171 1.00 0.00 C ATOM 870 C LEU A 58 -8.548 -11.404 0.762 1.00 0.00 C ATOM 871 O LEU A 58 -8.617 -10.329 1.361 1.00 0.00 O ATOM 872 CB LEU A 58 -10.971 -12.074 0.987 1.00 0.00 C ATOM 873 CG LEU A 58 -11.494 -11.985 -0.460 1.00 0.00 C ATOM 874 CD1 LEU A 58 -10.757 -10.940 -1.308 1.00 0.00 C ATOM 875 CD2 LEU A 58 -11.504 -13.362 -1.141 1.00 0.00 C ATOM 0 H LEU A 58 -9.072 -12.046 3.146 1.00 0.00 H new ATOM 0 HA LEU A 58 -9.312 -13.400 0.544 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -11.613 -12.761 1.539 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -11.082 -11.093 1.449 1.00 0.00 H new ATOM 0 HG LEU A 58 -12.525 -11.639 -0.388 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -11.174 -10.929 -2.315 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -10.875 -9.955 -0.855 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -9.698 -11.192 -1.357 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -11.879 -13.261 -2.160 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -10.491 -13.763 -1.165 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -12.150 -14.040 -0.582 1.00 0.00 H new ATOM 887 N PRO A 59 -7.659 -11.585 -0.231 1.00 0.00 N ATOM 888 CA PRO A 59 -6.756 -10.531 -0.686 1.00 0.00 C ATOM 889 C PRO A 59 -7.570 -9.475 -1.460 1.00 0.00 C ATOM 890 O PRO A 59 -7.945 -9.651 -2.624 1.00 0.00 O ATOM 891 CB PRO A 59 -5.707 -11.243 -1.547 1.00 0.00 C ATOM 892 CG PRO A 59 -6.461 -12.448 -2.106 1.00 0.00 C ATOM 893 CD PRO A 59 -7.450 -12.803 -1.000 1.00 0.00 C ATOM 0 HA PRO A 59 -6.260 -9.993 0.122 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -5.336 -10.597 -2.343 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -4.844 -11.549 -0.956 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -6.973 -12.203 -3.037 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -5.787 -13.277 -2.321 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -8.389 -13.164 -1.420 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -7.057 -13.599 -0.368 1.00 0.00 H new ATOM 901 N ARG A 60 -7.918 -8.392 -0.769 1.00 0.00 N ATOM 902 CA ARG A 60 -8.693 -7.258 -1.255 1.00 0.00 C ATOM 903 C ARG A 60 -7.799 -6.333 -2.093 1.00 0.00 C ATOM 904 O ARG A 60 -6.811 -5.799 -1.581 1.00 0.00 O ATOM 905 CB ARG A 60 -9.246 -6.489 -0.040 1.00 0.00 C ATOM 906 CG ARG A 60 -10.159 -7.254 0.938 1.00 0.00 C ATOM 907 CD ARG A 60 -11.605 -7.473 0.465 1.00 0.00 C ATOM 908 NE ARG A 60 -12.407 -8.237 1.451 1.00 0.00 N ATOM 909 CZ ARG A 60 -13.041 -7.776 2.543 1.00 0.00 C ATOM 910 NH1 ARG A 60 -12.930 -6.502 2.909 1.00 0.00 N ATOM 911 NH2 ARG A 60 -13.790 -8.594 3.265 1.00 0.00 N ATOM 0 H ARG A 60 -7.648 -8.278 0.208 1.00 0.00 H new ATOM 0 HA ARG A 60 -9.513 -7.609 -1.881 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -8.399 -6.102 0.526 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -9.801 -5.628 -0.412 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -9.711 -8.227 1.140 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -10.183 -6.712 1.883 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -12.077 -6.507 0.286 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -11.598 -8.006 -0.486 1.00 0.00 H new ATOM 0 HE ARG A 60 -12.488 -9.239 1.279 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -12.358 -5.861 2.359 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -13.417 -6.166 3.740 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -13.885 -9.572 2.993 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -14.272 -8.246 4.094 1.00 0.00 H new ATOM 925 N HIS A 61 -8.132 -6.130 -3.368 1.00 0.00 N ATOM 926 CA HIS A 61 -7.402 -5.269 -4.290 1.00 0.00 C ATOM 927 C HIS A 61 -8.032 -3.871 -4.292 1.00 0.00 C ATOM 928 O HIS A 61 -9.246 -3.729 -4.502 1.00 0.00 O ATOM 929 CB HIS A 61 -7.473 -5.834 -5.721 1.00 0.00 C ATOM 930 CG HIS A 61 -6.749 -7.140 -5.935 1.00 0.00 C ATOM 931 ND1 HIS A 61 -5.434 -7.389 -5.631 1.00 0.00 N ATOM 932 CD2 HIS A 61 -7.268 -8.289 -6.467 1.00 0.00 C ATOM 933 CE1 HIS A 61 -5.162 -8.663 -5.941 1.00 0.00 C ATOM 934 NE2 HIS A 61 -6.251 -9.258 -6.468 1.00 0.00 N ATOM 0 H HIS A 61 -8.943 -6.575 -3.798 1.00 0.00 H new ATOM 0 HA HIS A 61 -6.362 -5.219 -3.967 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -8.521 -5.970 -5.989 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -7.063 -5.093 -6.407 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -8.279 -8.426 -6.822 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -4.207 -9.145 -5.790 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -6.322 -10.220 -6.801 1.00 0.00 H new ATOM 942 N PHE A 62 -7.218 -2.829 -4.126 1.00 0.00 N ATOM 943 CA PHE A 62 -7.632 -1.433 -4.125 1.00 0.00 C ATOM 944 C PHE A 62 -6.774 -0.653 -5.126 1.00 0.00 C ATOM 945 O PHE A 62 -5.618 -0.321 -4.869 1.00 0.00 O ATOM 946 CB PHE A 62 -7.572 -0.845 -2.719 1.00 0.00 C ATOM 947 CG PHE A 62 -8.444 -1.555 -1.708 1.00 0.00 C ATOM 948 CD1 PHE A 62 -9.795 -1.187 -1.588 1.00 0.00 C ATOM 949 CD2 PHE A 62 -7.912 -2.551 -0.867 1.00 0.00 C ATOM 950 CE1 PHE A 62 -10.601 -1.764 -0.599 1.00 0.00 C ATOM 951 CE2 PHE A 62 -8.724 -3.139 0.114 1.00 0.00 C ATOM 952 CZ PHE A 62 -10.063 -2.742 0.253 1.00 0.00 C ATOM 0 H PHE A 62 -6.214 -2.942 -3.983 1.00 0.00 H new ATOM 0 HA PHE A 62 -8.673 -1.358 -4.440 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -6.539 -0.870 -2.371 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -7.868 0.203 -2.764 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -10.214 -0.455 -2.262 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -6.883 -2.861 -0.977 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -11.631 -1.458 -0.492 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -8.318 -3.900 0.764 1.00 0.00 H new ATOM 0 HZ PHE A 62 -10.681 -3.190 1.017 1.00 0.00 H new ATOM 962 N ILE A 63 -7.349 -0.422 -6.303 1.00 0.00 N ATOM 963 CA ILE A 63 -6.781 0.299 -7.439 1.00 0.00 C ATOM 964 C ILE A 63 -6.669 1.764 -7.003 1.00 0.00 C ATOM 965 O ILE A 63 -7.669 2.483 -7.007 1.00 0.00 O ATOM 966 CB ILE A 63 -7.713 0.059 -8.651 1.00 0.00 C ATOM 967 CG1 ILE A 63 -7.690 -1.443 -9.037 1.00 0.00 C ATOM 968 CG2 ILE A 63 -7.377 0.910 -9.886 1.00 0.00 C ATOM 969 CD1 ILE A 63 -8.981 -1.881 -9.726 1.00 0.00 C ATOM 0 H ILE A 63 -8.291 -0.758 -6.502 1.00 0.00 H new ATOM 0 HA ILE A 63 -5.788 -0.033 -7.741 1.00 0.00 H new ATOM 0 HB ILE A 63 -8.708 0.368 -8.330 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -6.845 -1.634 -9.698 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -7.536 -2.044 -8.141 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -8.078 0.680 -10.688 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -7.452 1.967 -9.631 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -6.362 0.688 -10.216 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -8.918 -2.940 -9.977 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -9.825 -1.717 -9.056 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -9.123 -1.300 -10.637 1.00 0.00 H new ATOM 981 N ILE A 64 -5.480 2.168 -6.548 1.00 0.00 N ATOM 982 CA ILE A 64 -5.171 3.509 -6.068 1.00 0.00 C ATOM 983 C ILE A 64 -5.503 4.517 -7.165 1.00 0.00 C ATOM 984 O ILE A 64 -4.849 4.558 -8.210 1.00 0.00 O ATOM 985 CB ILE A 64 -3.707 3.635 -5.569 1.00 0.00 C ATOM 986 CG1 ILE A 64 -3.281 2.464 -4.650 1.00 0.00 C ATOM 987 CG2 ILE A 64 -3.570 4.976 -4.824 1.00 0.00 C ATOM 988 CD1 ILE A 64 -1.796 2.489 -4.262 1.00 0.00 C ATOM 0 H ILE A 64 -4.677 1.541 -6.504 1.00 0.00 H new ATOM 0 HA ILE A 64 -5.788 3.723 -5.195 1.00 0.00 H new ATOM 0 HB ILE A 64 -3.044 3.597 -6.434 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -3.884 2.489 -3.743 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -3.500 1.522 -5.153 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -2.548 5.089 -4.463 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -3.807 5.795 -5.503 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -4.258 4.994 -3.979 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -1.574 1.638 -3.618 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -1.184 2.433 -5.162 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -1.574 3.414 -3.730 1.00 0.00 H new ATOM 1000 N GLN A 65 -6.569 5.283 -6.945 1.00 0.00 N ATOM 1001 CA GLN A 65 -7.026 6.296 -7.874 1.00 0.00 C ATOM 1002 C GLN A 65 -6.065 7.486 -7.830 1.00 0.00 C ATOM 1003 O GLN A 65 -5.405 7.717 -6.814 1.00 0.00 O ATOM 1004 CB GLN A 65 -8.447 6.729 -7.482 1.00 0.00 C ATOM 1005 CG GLN A 65 -9.476 5.587 -7.488 1.00 0.00 C ATOM 1006 CD GLN A 65 -9.685 5.033 -8.892 1.00 0.00 C ATOM 1007 OE1 GLN A 65 -10.471 5.568 -9.666 1.00 0.00 O ATOM 1008 NE2 GLN A 65 -8.970 3.984 -9.261 1.00 0.00 N ATOM 0 H GLN A 65 -7.142 5.211 -6.104 1.00 0.00 H new ATOM 0 HA GLN A 65 -7.046 5.901 -8.890 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -8.418 7.172 -6.487 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -8.780 7.507 -8.168 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -9.139 4.789 -6.827 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -10.425 5.949 -7.093 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -8.321 3.552 -8.603 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -9.067 3.607 -10.204 1.00 0.00 H new ATOM 1017 N SER A 66 -6.015 8.244 -8.925 1.00 0.00 N ATOM 1018 CA SER A 66 -5.169 9.426 -9.062 1.00 0.00 C ATOM 1019 C SER A 66 -6.038 10.606 -9.497 1.00 0.00 C ATOM 1020 O SER A 66 -6.882 10.453 -10.385 1.00 0.00 O ATOM 1021 CB SER A 66 -3.992 9.120 -10.004 1.00 0.00 C ATOM 1022 OG SER A 66 -4.382 8.714 -11.314 1.00 0.00 O ATOM 0 H SER A 66 -6.572 8.049 -9.757 1.00 0.00 H new ATOM 0 HA SER A 66 -4.716 9.706 -8.111 1.00 0.00 H new ATOM 0 HB2 SER A 66 -3.364 10.007 -10.083 1.00 0.00 H new ATOM 0 HB3 SER A 66 -3.380 8.335 -9.560 1.00 0.00 H new ATOM 0 HG SER A 66 -3.583 8.539 -11.854 1.00 0.00 H new ATOM 1028 N LEU A 67 -5.889 11.768 -8.865 1.00 0.00 N ATOM 1029 CA LEU A 67 -6.645 12.978 -9.174 1.00 0.00 C ATOM 1030 C LEU A 67 -5.835 14.162 -8.662 1.00 0.00 C ATOM 1031 O LEU A 67 -5.315 14.084 -7.555 1.00 0.00 O ATOM 1032 CB LEU A 67 -8.020 12.909 -8.487 1.00 0.00 C ATOM 1033 CG LEU A 67 -8.865 14.184 -8.699 1.00 0.00 C ATOM 1034 CD1 LEU A 67 -10.237 13.850 -9.284 1.00 0.00 C ATOM 1035 CD2 LEU A 67 -9.035 14.938 -7.382 1.00 0.00 C ATOM 0 H LEU A 67 -5.222 11.897 -8.104 1.00 0.00 H new ATOM 0 HA LEU A 67 -6.813 13.082 -10.246 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -8.569 12.048 -8.870 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -7.878 12.747 -7.418 1.00 0.00 H new ATOM 0 HG LEU A 67 -8.334 14.818 -9.409 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -10.807 14.769 -9.421 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -10.111 13.354 -10.246 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -10.772 13.189 -8.602 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -9.633 15.834 -7.550 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -9.538 14.297 -6.658 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -8.056 15.222 -6.997 1.00 0.00 H new ATOM 1047 N ASP A 68 -5.710 15.236 -9.445 1.00 0.00 N ATOM 1048 CA ASP A 68 -4.969 16.462 -9.099 1.00 0.00 C ATOM 1049 C ASP A 68 -3.506 16.183 -8.693 1.00 0.00 C ATOM 1050 O ASP A 68 -2.899 16.980 -7.982 1.00 0.00 O ATOM 1051 CB ASP A 68 -5.718 17.271 -8.011 1.00 0.00 C ATOM 1052 CG ASP A 68 -6.968 18.003 -8.489 1.00 0.00 C ATOM 1053 OD1 ASP A 68 -7.651 17.566 -9.445 1.00 0.00 O ATOM 1054 OD2 ASP A 68 -7.314 19.036 -7.870 1.00 0.00 O ATOM 0 H ASP A 68 -6.135 15.283 -10.371 1.00 0.00 H new ATOM 0 HA ASP A 68 -4.921 17.069 -10.003 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -6.000 16.592 -7.206 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -5.029 18.001 -7.586 1.00 0.00 H new ATOM 1059 N ASN A 69 -2.915 15.073 -9.158 1.00 0.00 N ATOM 1060 CA ASN A 69 -1.540 14.610 -8.864 1.00 0.00 C ATOM 1061 C ASN A 69 -1.450 14.025 -7.446 1.00 0.00 C ATOM 1062 O ASN A 69 -0.353 13.870 -6.900 1.00 0.00 O ATOM 1063 CB ASN A 69 -0.429 15.670 -9.065 1.00 0.00 C ATOM 1064 CG ASN A 69 -0.262 16.197 -10.473 1.00 0.00 C ATOM 1065 OD1 ASN A 69 -1.051 15.930 -11.376 1.00 0.00 O ATOM 1066 ND2 ASN A 69 0.796 16.949 -10.724 1.00 0.00 N ATOM 0 H ASN A 69 -3.406 14.435 -9.784 1.00 0.00 H new ATOM 0 HA ASN A 69 -1.348 13.838 -9.609 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -0.635 16.513 -8.405 1.00 0.00 H new ATOM 0 HB3 ASN A 69 0.519 15.239 -8.745 1.00 0.00 H new ATOM 0 HD21 ASN A 69 0.956 17.306 -11.666 1.00 0.00 H new ATOM 0 HD22 ASN A 69 1.452 17.172 -9.976 1.00 0.00 H new ATOM 1073 N LEU A 70 -2.595 13.746 -6.822 1.00 0.00 N ATOM 1074 CA LEU A 70 -2.734 13.185 -5.492 1.00 0.00 C ATOM 1075 C LEU A 70 -3.333 11.791 -5.628 1.00 0.00 C ATOM 1076 O LEU A 70 -3.925 11.447 -6.655 1.00 0.00 O ATOM 1077 CB LEU A 70 -3.663 14.054 -4.613 1.00 0.00 C ATOM 1078 CG LEU A 70 -3.005 15.249 -3.908 1.00 0.00 C ATOM 1079 CD1 LEU A 70 -2.556 16.373 -4.840 1.00 0.00 C ATOM 1080 CD2 LEU A 70 -3.990 15.803 -2.882 1.00 0.00 C ATOM 0 H LEU A 70 -3.498 13.918 -7.263 1.00 0.00 H new ATOM 0 HA LEU A 70 -1.755 13.148 -5.015 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -4.474 14.429 -5.238 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -4.114 13.414 -3.854 1.00 0.00 H new ATOM 0 HG LEU A 70 -2.093 14.874 -3.444 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -2.103 17.173 -4.254 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -1.826 15.986 -5.551 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -3.418 16.763 -5.381 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -3.541 16.654 -2.369 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -4.901 16.123 -3.388 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -4.232 15.028 -2.155 1.00 0.00 H new ATOM 1092 N TYR A 71 -3.248 11.019 -4.547 1.00 0.00 N ATOM 1093 CA TYR A 71 -3.756 9.659 -4.454 1.00 0.00 C ATOM 1094 C TYR A 71 -4.601 9.533 -3.192 1.00 0.00 C ATOM 1095 O TYR A 71 -4.197 10.050 -2.149 1.00 0.00 O ATOM 1096 CB TYR A 71 -2.576 8.688 -4.396 1.00 0.00 C ATOM 1097 CG TYR A 71 -1.584 8.865 -5.526 1.00 0.00 C ATOM 1098 CD1 TYR A 71 -1.826 8.281 -6.782 1.00 0.00 C ATOM 1099 CD2 TYR A 71 -0.425 9.635 -5.316 1.00 0.00 C ATOM 1100 CE1 TYR A 71 -0.890 8.433 -7.820 1.00 0.00 C ATOM 1101 CE2 TYR A 71 0.509 9.802 -6.351 1.00 0.00 C ATOM 1102 CZ TYR A 71 0.280 9.198 -7.610 1.00 0.00 C ATOM 1103 OH TYR A 71 1.180 9.347 -8.622 1.00 0.00 O ATOM 0 H TYR A 71 -2.808 11.337 -3.684 1.00 0.00 H new ATOM 0 HA TYR A 71 -4.370 9.424 -5.323 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -2.057 8.817 -3.446 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -2.956 7.667 -4.415 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -2.731 7.716 -6.949 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -0.253 10.099 -4.356 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -1.065 7.965 -8.778 1.00 0.00 H new ATOM 0 HE2 TYR A 71 1.400 10.390 -6.187 1.00 0.00 H new ATOM 0 HH TYR A 71 1.928 9.902 -8.316 1.00 0.00 H new ATOM 1113 N ARG A 72 -5.758 8.870 -3.283 1.00 0.00 N ATOM 1114 CA ARG A 72 -6.709 8.624 -2.190 1.00 0.00 C ATOM 1115 C ARG A 72 -7.816 7.702 -2.679 1.00 0.00 C ATOM 1116 O ARG A 72 -8.013 7.564 -3.889 1.00 0.00 O ATOM 1117 CB ARG A 72 -7.374 9.916 -1.681 1.00 0.00 C ATOM 1118 CG ARG A 72 -7.844 10.840 -2.808 1.00 0.00 C ATOM 1119 CD ARG A 72 -8.708 11.988 -2.288 1.00 0.00 C ATOM 1120 NE ARG A 72 -8.826 13.016 -3.330 1.00 0.00 N ATOM 1121 CZ ARG A 72 -8.534 14.314 -3.209 1.00 0.00 C ATOM 1122 NH1 ARG A 72 -8.434 14.871 -2.008 1.00 0.00 N ATOM 1123 NH2 ARG A 72 -8.327 15.045 -4.294 1.00 0.00 N ATOM 0 H ARG A 72 -6.075 8.469 -4.166 1.00 0.00 H new ATOM 0 HA ARG A 72 -6.140 8.179 -1.374 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -8.227 9.655 -1.055 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -6.668 10.455 -1.049 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -6.977 11.247 -3.328 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -8.411 10.262 -3.537 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -9.696 11.619 -2.011 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -8.264 12.414 -1.389 1.00 0.00 H new ATOM 0 HE ARG A 72 -9.166 12.707 -4.241 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -8.580 14.307 -1.171 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -8.211 15.863 -1.923 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -8.391 14.617 -5.217 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -8.104 16.036 -4.206 1.00 0.00 H new ATOM 1137 N LEU A 73 -8.550 7.109 -1.736 1.00 0.00 N ATOM 1138 CA LEU A 73 -9.659 6.202 -2.007 1.00 0.00 C ATOM 1139 C LEU A 73 -10.904 6.569 -1.200 1.00 0.00 C ATOM 1140 O LEU A 73 -11.979 6.068 -1.528 1.00 0.00 O ATOM 1141 CB LEU A 73 -9.270 4.742 -1.704 1.00 0.00 C ATOM 1142 CG LEU A 73 -8.364 4.019 -2.719 1.00 0.00 C ATOM 1143 CD1 LEU A 73 -8.931 4.046 -4.137 1.00 0.00 C ATOM 1144 CD2 LEU A 73 -6.909 4.501 -2.726 1.00 0.00 C ATOM 0 H LEU A 73 -8.383 7.252 -0.740 1.00 0.00 H new ATOM 0 HA LEU A 73 -9.890 6.301 -3.068 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -8.772 4.722 -0.735 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -10.188 4.164 -1.602 1.00 0.00 H new ATOM 0 HG LEU A 73 -8.351 2.988 -2.366 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -8.252 3.522 -4.810 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -9.904 3.555 -4.149 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -9.042 5.080 -4.465 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -6.343 3.939 -3.469 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -6.878 5.562 -2.973 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -6.469 4.345 -1.741 1.00 0.00 H new ATOM 1156 N GLU A 74 -10.809 7.415 -0.170 1.00 0.00 N ATOM 1157 CA GLU A 74 -11.960 7.801 0.641 1.00 0.00 C ATOM 1158 C GLU A 74 -11.710 9.161 1.302 1.00 0.00 C ATOM 1159 O GLU A 74 -12.513 10.077 1.115 1.00 0.00 O ATOM 1160 CB GLU A 74 -12.233 6.693 1.677 1.00 0.00 C ATOM 1161 CG GLU A 74 -13.510 6.901 2.493 1.00 0.00 C ATOM 1162 CD GLU A 74 -14.791 6.647 1.695 1.00 0.00 C ATOM 1163 OE1 GLU A 74 -15.229 7.545 0.946 1.00 0.00 O ATOM 1164 OE2 GLU A 74 -15.427 5.581 1.908 1.00 0.00 O ATOM 0 H GLU A 74 -9.933 7.849 0.122 1.00 0.00 H new ATOM 0 HA GLU A 74 -12.845 7.911 0.015 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -12.297 5.735 1.160 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -11.385 6.631 2.359 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -13.492 6.237 3.357 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -13.526 7.922 2.875 1.00 0.00 H new ATOM 1171 N GLY A 75 -10.620 9.289 2.069 1.00 0.00 N ATOM 1172 CA GLY A 75 -10.244 10.517 2.772 1.00 0.00 C ATOM 1173 C GLY A 75 -9.347 11.415 1.920 1.00 0.00 C ATOM 1174 O GLY A 75 -9.170 11.152 0.730 1.00 0.00 O ATOM 0 H GLY A 75 -9.962 8.524 2.220 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -11.144 11.065 3.051 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -9.727 10.261 3.697 1.00 0.00 H new ATOM 1178 N GLU A 76 -8.788 12.476 2.520 1.00 0.00 N ATOM 1179 CA GLU A 76 -7.903 13.399 1.816 1.00 0.00 C ATOM 1180 C GLU A 76 -6.706 12.638 1.267 1.00 0.00 C ATOM 1181 O GLU A 76 -6.225 11.675 1.878 1.00 0.00 O ATOM 1182 CB GLU A 76 -7.383 14.542 2.709 1.00 0.00 C ATOM 1183 CG GLU A 76 -8.300 15.770 2.758 1.00 0.00 C ATOM 1184 CD GLU A 76 -8.596 16.370 1.381 1.00 0.00 C ATOM 1185 OE1 GLU A 76 -7.776 16.229 0.452 1.00 0.00 O ATOM 1186 OE2 GLU A 76 -9.680 16.985 1.231 1.00 0.00 O ATOM 0 H GLU A 76 -8.939 12.712 3.501 1.00 0.00 H new ATOM 0 HA GLU A 76 -8.494 13.845 1.016 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -7.248 14.163 3.722 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -6.401 14.850 2.350 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -9.241 15.492 3.233 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -7.839 16.533 3.386 1.00 0.00 H new ATOM 1193 N GLY A 77 -6.247 13.087 0.103 1.00 0.00 N ATOM 1194 CA GLY A 77 -5.126 12.499 -0.584 1.00 0.00 C ATOM 1195 C GLY A 77 -3.854 13.242 -0.267 1.00 0.00 C ATOM 1196 O GLY A 77 -3.842 14.227 0.472 1.00 0.00 O ATOM 0 H GLY A 77 -6.656 13.882 -0.388 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -5.024 11.453 -0.294 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -5.304 12.515 -1.659 1.00 0.00 H new ATOM 1200 N PHE A 78 -2.772 12.743 -0.840 1.00 0.00 N ATOM 1201 CA PHE A 78 -1.447 13.301 -0.679 1.00 0.00 C ATOM 1202 C PHE A 78 -0.739 13.278 -2.025 1.00 0.00 C ATOM 1203 O PHE A 78 -1.085 12.444 -2.866 1.00 0.00 O ATOM 1204 CB PHE A 78 -0.661 12.471 0.325 1.00 0.00 C ATOM 1205 CG PHE A 78 -0.987 12.723 1.781 1.00 0.00 C ATOM 1206 CD1 PHE A 78 -2.139 12.162 2.354 1.00 0.00 C ATOM 1207 CD2 PHE A 78 -0.113 13.483 2.582 1.00 0.00 C ATOM 1208 CE1 PHE A 78 -2.374 12.287 3.727 1.00 0.00 C ATOM 1209 CE2 PHE A 78 -0.352 13.616 3.957 1.00 0.00 C ATOM 1210 CZ PHE A 78 -1.475 13.001 4.538 1.00 0.00 C ATOM 0 H PHE A 78 -2.795 11.920 -1.443 1.00 0.00 H new ATOM 0 HA PHE A 78 -1.519 14.326 -0.315 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -0.832 11.416 0.110 1.00 0.00 H new ATOM 0 HB3 PHE A 78 0.402 12.659 0.172 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -2.846 11.632 1.733 1.00 0.00 H new ATOM 0 HD2 PHE A 78 0.744 13.965 2.136 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -3.250 11.833 4.166 1.00 0.00 H new ATOM 0 HE2 PHE A 78 0.326 14.191 4.570 1.00 0.00 H new ATOM 0 HZ PHE A 78 -1.646 13.077 5.602 1.00 0.00 H new ATOM 1220 N PRO A 79 0.294 14.116 -2.213 1.00 0.00 N ATOM 1221 CA PRO A 79 1.047 14.211 -3.462 1.00 0.00 C ATOM 1222 C PRO A 79 1.863 12.972 -3.810 1.00 0.00 C ATOM 1223 O PRO A 79 2.601 12.972 -4.795 1.00 0.00 O ATOM 1224 CB PRO A 79 1.972 15.413 -3.261 1.00 0.00 C ATOM 1225 CG PRO A 79 2.167 15.503 -1.756 1.00 0.00 C ATOM 1226 CD PRO A 79 0.775 15.123 -1.266 1.00 0.00 C ATOM 0 HA PRO A 79 0.357 14.313 -4.299 1.00 0.00 H new ATOM 0 HB2 PRO A 79 2.922 15.272 -3.776 1.00 0.00 H new ATOM 0 HB3 PRO A 79 1.527 16.326 -3.658 1.00 0.00 H new ATOM 0 HG2 PRO A 79 2.934 14.817 -1.397 1.00 0.00 H new ATOM 0 HG3 PRO A 79 2.459 16.503 -1.436 1.00 0.00 H new ATOM 0 HD2 PRO A 79 0.810 14.724 -0.252 1.00 0.00 H new ATOM 0 HD3 PRO A 79 0.115 15.990 -1.245 1.00 0.00 H new ATOM 1234 N SER A 80 1.859 11.930 -2.986 1.00 0.00 N ATOM 1235 CA SER A 80 2.629 10.729 -3.263 1.00 0.00 C ATOM 1236 C SER A 80 1.932 9.529 -2.642 1.00 0.00 C ATOM 1237 O SER A 80 1.145 9.680 -1.705 1.00 0.00 O ATOM 1238 CB SER A 80 4.048 10.961 -2.729 1.00 0.00 C ATOM 1239 OG SER A 80 4.707 11.919 -3.540 1.00 0.00 O ATOM 0 H SER A 80 1.327 11.896 -2.116 1.00 0.00 H new ATOM 0 HA SER A 80 2.700 10.517 -4.330 1.00 0.00 H new ATOM 0 HB2 SER A 80 4.007 11.309 -1.697 1.00 0.00 H new ATOM 0 HB3 SER A 80 4.605 10.024 -2.728 1.00 0.00 H new ATOM 0 HG SER A 80 4.131 12.159 -4.296 1.00 0.00 H new ATOM 1245 N ILE A 81 2.201 8.344 -3.187 1.00 0.00 N ATOM 1246 CA ILE A 81 1.615 7.110 -2.709 1.00 0.00 C ATOM 1247 C ILE A 81 2.038 6.898 -1.244 1.00 0.00 C ATOM 1248 O ILE A 81 1.130 6.763 -0.419 1.00 0.00 O ATOM 1249 CB ILE A 81 1.994 5.936 -3.645 1.00 0.00 C ATOM 1250 CG1 ILE A 81 1.486 6.111 -5.095 1.00 0.00 C ATOM 1251 CG2 ILE A 81 1.571 4.553 -3.104 1.00 0.00 C ATOM 1252 CD1 ILE A 81 -0.003 5.836 -5.305 1.00 0.00 C ATOM 0 H ILE A 81 2.836 8.221 -3.976 1.00 0.00 H new ATOM 0 HA ILE A 81 0.526 7.161 -2.729 1.00 0.00 H new ATOM 0 HB ILE A 81 3.083 5.967 -3.667 1.00 0.00 H new ATOM 0 HG12 ILE A 81 1.699 7.131 -5.416 1.00 0.00 H new ATOM 0 HG13 ILE A 81 2.056 5.447 -5.745 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.869 3.779 -3.811 1.00 0.00 H new ATOM 0 HG22 ILE A 81 2.056 4.374 -2.145 1.00 0.00 H new ATOM 0 HG23 ILE A 81 0.489 4.529 -2.974 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -0.256 5.987 -6.354 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -0.226 4.807 -5.022 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -0.589 6.517 -4.689 1.00 0.00 H new ATOM 1264 N PRO A 82 3.344 6.924 -0.869 1.00 0.00 N ATOM 1265 CA PRO A 82 3.767 6.696 0.514 1.00 0.00 C ATOM 1266 C PRO A 82 3.189 7.709 1.492 1.00 0.00 C ATOM 1267 O PRO A 82 2.817 7.340 2.601 1.00 0.00 O ATOM 1268 CB PRO A 82 5.304 6.694 0.522 1.00 0.00 C ATOM 1269 CG PRO A 82 5.703 7.365 -0.785 1.00 0.00 C ATOM 1270 CD PRO A 82 4.523 7.087 -1.715 1.00 0.00 C ATOM 0 HA PRO A 82 3.380 5.738 0.861 1.00 0.00 H new ATOM 0 HB2 PRO A 82 5.695 7.239 1.381 1.00 0.00 H new ATOM 0 HB3 PRO A 82 5.698 5.679 0.581 1.00 0.00 H new ATOM 0 HG2 PRO A 82 5.864 8.435 -0.652 1.00 0.00 H new ATOM 0 HG3 PRO A 82 6.630 6.950 -1.181 1.00 0.00 H new ATOM 0 HD2 PRO A 82 4.383 7.909 -2.417 1.00 0.00 H new ATOM 0 HD3 PRO A 82 4.701 6.189 -2.306 1.00 0.00 H new ATOM 1278 N LEU A 83 3.071 8.967 1.065 1.00 0.00 N ATOM 1279 CA LEU A 83 2.527 10.052 1.869 1.00 0.00 C ATOM 1280 C LEU A 83 1.094 9.693 2.305 1.00 0.00 C ATOM 1281 O LEU A 83 0.713 9.972 3.440 1.00 0.00 O ATOM 1282 CB LEU A 83 2.567 11.352 1.046 1.00 0.00 C ATOM 1283 CG LEU A 83 3.884 12.151 0.975 1.00 0.00 C ATOM 1284 CD1 LEU A 83 4.064 13.002 2.236 1.00 0.00 C ATOM 1285 CD2 LEU A 83 5.135 11.280 0.795 1.00 0.00 C ATOM 0 H LEU A 83 3.358 9.262 0.132 1.00 0.00 H new ATOM 0 HA LEU A 83 3.122 10.202 2.770 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.277 11.104 0.025 1.00 0.00 H new ATOM 0 HB3 LEU A 83 1.800 12.017 1.443 1.00 0.00 H new ATOM 0 HG LEU A 83 3.791 12.777 0.087 1.00 0.00 H new ATOM 0 HD11 LEU A 83 4.998 13.559 2.169 1.00 0.00 H new ATOM 0 HD12 LEU A 83 3.231 13.700 2.326 1.00 0.00 H new ATOM 0 HD13 LEU A 83 4.090 12.354 3.112 1.00 0.00 H new ATOM 0 HD21 LEU A 83 6.019 11.917 0.754 1.00 0.00 H new ATOM 0 HD22 LEU A 83 5.223 10.591 1.635 1.00 0.00 H new ATOM 0 HD23 LEU A 83 5.053 10.713 -0.132 1.00 0.00 H new ATOM 1297 N LEU A 84 0.299 9.081 1.415 1.00 0.00 N ATOM 1298 CA LEU A 84 -1.068 8.668 1.724 1.00 0.00 C ATOM 1299 C LEU A 84 -1.023 7.397 2.574 1.00 0.00 C ATOM 1300 O LEU A 84 -1.745 7.332 3.564 1.00 0.00 O ATOM 1301 CB LEU A 84 -1.880 8.479 0.427 1.00 0.00 C ATOM 1302 CG LEU A 84 -3.350 8.013 0.561 1.00 0.00 C ATOM 1303 CD1 LEU A 84 -3.556 6.498 0.694 1.00 0.00 C ATOM 1304 CD2 LEU A 84 -4.145 8.800 1.610 1.00 0.00 C ATOM 0 H LEU A 84 0.590 8.861 0.463 1.00 0.00 H new ATOM 0 HA LEU A 84 -1.575 9.443 2.299 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -1.876 9.426 -0.112 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -1.354 7.755 -0.196 1.00 0.00 H new ATOM 0 HG LEU A 84 -3.773 8.259 -0.413 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -4.621 6.282 0.782 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -3.155 5.998 -0.188 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -3.038 6.137 1.583 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -5.166 8.422 1.652 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -3.675 8.683 2.586 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -4.160 9.856 1.339 1.00 0.00 H new ATOM 1316 N ILE A 85 -0.204 6.390 2.218 1.00 0.00 N ATOM 1317 CA ILE A 85 -0.104 5.141 2.986 1.00 0.00 C ATOM 1318 C ILE A 85 0.134 5.484 4.462 1.00 0.00 C ATOM 1319 O ILE A 85 -0.525 4.918 5.333 1.00 0.00 O ATOM 1320 CB ILE A 85 1.034 4.202 2.478 1.00 0.00 C ATOM 1321 CG1 ILE A 85 0.945 3.733 1.009 1.00 0.00 C ATOM 1322 CG2 ILE A 85 1.185 2.944 3.356 1.00 0.00 C ATOM 1323 CD1 ILE A 85 -0.385 3.121 0.579 1.00 0.00 C ATOM 0 H ILE A 85 0.401 6.421 1.397 1.00 0.00 H new ATOM 0 HA ILE A 85 -1.041 4.600 2.855 1.00 0.00 H new ATOM 0 HB ILE A 85 1.903 4.856 2.549 1.00 0.00 H new ATOM 0 HG12 ILE A 85 1.155 4.586 0.363 1.00 0.00 H new ATOM 0 HG13 ILE A 85 1.732 3.000 0.835 1.00 0.00 H new ATOM 0 HG21 ILE A 85 1.989 2.321 2.964 1.00 0.00 H new ATOM 0 HG22 ILE A 85 1.421 3.240 4.378 1.00 0.00 H new ATOM 0 HG23 ILE A 85 0.252 2.380 3.348 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -0.329 2.830 -0.470 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -0.595 2.243 1.189 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -1.182 3.853 0.710 1.00 0.00 H new ATOM 1335 N ASP A 86 1.062 6.410 4.723 1.00 0.00 N ATOM 1336 CA ASP A 86 1.424 6.876 6.053 1.00 0.00 C ATOM 1337 C ASP A 86 0.204 7.384 6.808 1.00 0.00 C ATOM 1338 O ASP A 86 0.034 7.047 7.977 1.00 0.00 O ATOM 1339 CB ASP A 86 2.451 8.005 5.945 1.00 0.00 C ATOM 1340 CG ASP A 86 2.624 8.719 7.284 1.00 0.00 C ATOM 1341 OD1 ASP A 86 3.133 8.089 8.235 1.00 0.00 O ATOM 1342 OD2 ASP A 86 2.272 9.918 7.391 1.00 0.00 O ATOM 0 H ASP A 86 1.597 6.868 3.985 1.00 0.00 H new ATOM 0 HA ASP A 86 1.849 6.034 6.600 1.00 0.00 H new ATOM 0 HB2 ASP A 86 3.409 7.600 5.619 1.00 0.00 H new ATOM 0 HB3 ASP A 86 2.132 8.720 5.186 1.00 0.00 H new ATOM 1347 N HIS A 87 -0.644 8.184 6.155 1.00 0.00 N ATOM 1348 CA HIS A 87 -1.836 8.707 6.795 1.00 0.00 C ATOM 1349 C HIS A 87 -2.692 7.567 7.326 1.00 0.00 C ATOM 1350 O HIS A 87 -3.059 7.604 8.501 1.00 0.00 O ATOM 1351 CB HIS A 87 -2.623 9.630 5.863 1.00 0.00 C ATOM 1352 CG HIS A 87 -3.928 10.117 6.452 1.00 0.00 C ATOM 1353 ND1 HIS A 87 -4.084 11.106 7.399 1.00 0.00 N ATOM 1354 CD2 HIS A 87 -5.178 9.632 6.158 1.00 0.00 C ATOM 1355 CE1 HIS A 87 -5.392 11.200 7.680 1.00 0.00 C ATOM 1356 NE2 HIS A 87 -6.102 10.335 6.936 1.00 0.00 N ATOM 0 H HIS A 87 -0.520 8.478 5.186 1.00 0.00 H new ATOM 0 HA HIS A 87 -1.527 9.319 7.643 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -2.004 10.491 5.611 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -2.829 9.102 4.932 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -5.407 8.847 5.452 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -5.817 11.878 8.405 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -7.115 10.215 6.939 1.00 0.00 H new ATOM 1364 N LEU A 88 -2.981 6.567 6.489 1.00 0.00 N ATOM 1365 CA LEU A 88 -3.806 5.414 6.834 1.00 0.00 C ATOM 1366 C LEU A 88 -3.167 4.609 7.948 1.00 0.00 C ATOM 1367 O LEU A 88 -3.844 4.243 8.905 1.00 0.00 O ATOM 1368 CB LEU A 88 -4.065 4.504 5.618 1.00 0.00 C ATOM 1369 CG LEU A 88 -5.185 5.051 4.721 1.00 0.00 C ATOM 1370 CD1 LEU A 88 -4.737 6.293 3.966 1.00 0.00 C ATOM 1371 CD2 LEU A 88 -5.628 4.040 3.666 1.00 0.00 C ATOM 0 H LEU A 88 -2.637 6.539 5.529 1.00 0.00 H new ATOM 0 HA LEU A 88 -4.766 5.803 7.175 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -3.149 4.407 5.036 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -4.331 3.505 5.963 1.00 0.00 H new ATOM 0 HG LEU A 88 -6.009 5.277 5.398 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -5.554 6.653 3.341 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -4.455 7.069 4.677 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -3.881 6.048 3.338 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -6.421 4.474 3.057 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -4.781 3.783 3.030 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -5.998 3.140 4.157 1.00 0.00 H new ATOM 1383 N LEU A 89 -1.885 4.289 7.827 1.00 0.00 N ATOM 1384 CA LEU A 89 -1.168 3.518 8.832 1.00 0.00 C ATOM 1385 C LEU A 89 -1.205 4.237 10.180 1.00 0.00 C ATOM 1386 O LEU A 89 -1.528 3.622 11.196 1.00 0.00 O ATOM 1387 CB LEU A 89 0.280 3.297 8.371 1.00 0.00 C ATOM 1388 CG LEU A 89 0.586 1.907 7.783 1.00 0.00 C ATOM 1389 CD1 LEU A 89 2.074 1.842 7.426 1.00 0.00 C ATOM 1390 CD2 LEU A 89 0.304 0.746 8.747 1.00 0.00 C ATOM 0 H LEU A 89 -1.313 4.558 7.027 1.00 0.00 H new ATOM 0 HA LEU A 89 -1.651 2.548 8.955 1.00 0.00 H new ATOM 0 HB2 LEU A 89 0.523 4.050 7.622 1.00 0.00 H new ATOM 0 HB3 LEU A 89 0.943 3.467 9.220 1.00 0.00 H new ATOM 0 HG LEU A 89 -0.069 1.791 6.919 1.00 0.00 H new ATOM 0 HD11 LEU A 89 2.305 0.862 7.008 1.00 0.00 H new ATOM 0 HD12 LEU A 89 2.306 2.614 6.692 1.00 0.00 H new ATOM 0 HD13 LEU A 89 2.671 2.004 8.324 1.00 0.00 H new ATOM 0 HD21 LEU A 89 0.545 -0.199 8.259 1.00 0.00 H new ATOM 0 HD22 LEU A 89 0.917 0.859 9.641 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -0.750 0.752 9.026 1.00 0.00 H new ATOM 1402 N SER A 90 -0.939 5.538 10.193 1.00 0.00 N ATOM 1403 CA SER A 90 -0.921 6.345 11.394 1.00 0.00 C ATOM 1404 C SER A 90 -2.310 6.492 12.036 1.00 0.00 C ATOM 1405 O SER A 90 -2.475 6.158 13.215 1.00 0.00 O ATOM 1406 CB SER A 90 -0.283 7.689 11.033 1.00 0.00 C ATOM 1407 OG SER A 90 -0.253 8.573 12.137 1.00 0.00 O ATOM 0 H SER A 90 -0.726 6.067 9.347 1.00 0.00 H new ATOM 0 HA SER A 90 -0.328 5.851 12.164 1.00 0.00 H new ATOM 0 HB2 SER A 90 0.732 7.524 10.673 1.00 0.00 H new ATOM 0 HB3 SER A 90 -0.840 8.147 10.216 1.00 0.00 H new ATOM 0 HG SER A 90 0.163 9.419 11.868 1.00 0.00 H new ATOM 1413 N THR A 91 -3.303 6.985 11.291 1.00 0.00 N ATOM 1414 CA THR A 91 -4.662 7.228 11.766 1.00 0.00 C ATOM 1415 C THR A 91 -5.521 5.961 11.923 1.00 0.00 C ATOM 1416 O THR A 91 -6.486 5.989 12.682 1.00 0.00 O ATOM 1417 CB THR A 91 -5.301 8.258 10.805 1.00 0.00 C ATOM 1418 OG1 THR A 91 -6.242 9.099 11.440 1.00 0.00 O ATOM 1419 CG2 THR A 91 -5.938 7.622 9.609 1.00 0.00 C ATOM 0 H THR A 91 -3.176 7.233 10.310 1.00 0.00 H new ATOM 0 HA THR A 91 -4.613 7.618 12.783 1.00 0.00 H new ATOM 0 HB THR A 91 -4.463 8.870 10.470 1.00 0.00 H new ATOM 0 HG1 THR A 91 -6.611 9.729 10.786 1.00 0.00 H new ATOM 0 HG21 THR A 91 -6.369 8.395 8.972 1.00 0.00 H new ATOM 0 HG22 THR A 91 -5.186 7.067 9.048 1.00 0.00 H new ATOM 0 HG23 THR A 91 -6.724 6.940 9.935 1.00 0.00 H new ATOM 1427 N GLN A 92 -5.153 4.846 11.273 1.00 0.00 N ATOM 1428 CA GLN A 92 -5.869 3.565 11.283 1.00 0.00 C ATOM 1429 C GLN A 92 -7.281 3.700 10.681 1.00 0.00 C ATOM 1430 O GLN A 92 -8.183 2.932 11.023 1.00 0.00 O ATOM 1431 CB GLN A 92 -5.795 2.850 12.653 1.00 0.00 C ATOM 1432 CG GLN A 92 -4.381 2.377 13.042 1.00 0.00 C ATOM 1433 CD GLN A 92 -3.886 1.199 12.194 1.00 0.00 C ATOM 1434 OE1 GLN A 92 -4.045 0.035 12.548 1.00 0.00 O ATOM 1435 NE2 GLN A 92 -3.240 1.462 11.071 1.00 0.00 N ATOM 0 H GLN A 92 -4.309 4.814 10.701 1.00 0.00 H new ATOM 0 HA GLN A 92 -5.347 2.881 10.614 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -6.165 3.526 13.424 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -6.463 1.989 12.637 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -3.685 3.209 12.939 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -4.378 2.087 14.093 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -3.106 2.429 10.774 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -2.875 0.698 10.502 1.00 0.00 H new ATOM 1444 N GLN A 93 -7.485 4.685 9.794 1.00 0.00 N ATOM 1445 CA GLN A 93 -8.774 4.889 9.139 1.00 0.00 C ATOM 1446 C GLN A 93 -9.031 3.692 8.228 1.00 0.00 C ATOM 1447 O GLN A 93 -8.082 3.226 7.588 1.00 0.00 O ATOM 1448 CB GLN A 93 -8.834 6.188 8.288 1.00 0.00 C ATOM 1449 CG GLN A 93 -7.802 6.371 7.153 1.00 0.00 C ATOM 1450 CD GLN A 93 -8.290 7.232 5.979 1.00 0.00 C ATOM 1451 OE1 GLN A 93 -8.045 6.928 4.813 1.00 0.00 O ATOM 1452 NE2 GLN A 93 -8.961 8.340 6.231 1.00 0.00 N ATOM 0 H GLN A 93 -6.766 5.353 9.516 1.00 0.00 H new ATOM 0 HA GLN A 93 -9.530 4.988 9.918 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -9.828 6.250 7.846 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -8.734 7.035 8.967 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -6.901 6.823 7.568 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -7.520 5.389 6.774 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -9.170 8.602 7.194 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -9.271 8.935 5.462 1.00 0.00 H new ATOM 1461 N PRO A 94 -10.262 3.174 8.124 1.00 0.00 N ATOM 1462 CA PRO A 94 -10.496 2.076 7.217 1.00 0.00 C ATOM 1463 C PRO A 94 -10.355 2.638 5.807 1.00 0.00 C ATOM 1464 O PRO A 94 -10.808 3.748 5.513 1.00 0.00 O ATOM 1465 CB PRO A 94 -11.891 1.539 7.535 1.00 0.00 C ATOM 1466 CG PRO A 94 -12.600 2.742 8.158 1.00 0.00 C ATOM 1467 CD PRO A 94 -11.482 3.571 8.801 1.00 0.00 C ATOM 0 HA PRO A 94 -9.795 1.247 7.311 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -12.402 1.192 6.637 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -11.849 0.696 8.224 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -13.135 3.319 7.404 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -13.334 2.427 8.899 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -11.667 4.638 8.681 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -11.417 3.377 9.872 1.00 0.00 H new ATOM 1475 N LEU A 95 -9.723 1.842 4.950 1.00 0.00 N ATOM 1476 CA LEU A 95 -9.441 2.114 3.548 1.00 0.00 C ATOM 1477 C LEU A 95 -10.647 2.735 2.864 1.00 0.00 C ATOM 1478 O LEU A 95 -10.526 3.738 2.165 1.00 0.00 O ATOM 1479 CB LEU A 95 -9.069 0.780 2.873 1.00 0.00 C ATOM 1480 CG LEU A 95 -7.553 0.583 2.793 1.00 0.00 C ATOM 1481 CD1 LEU A 95 -7.236 -0.899 2.628 1.00 0.00 C ATOM 1482 CD2 LEU A 95 -6.966 1.333 1.602 1.00 0.00 C ATOM 0 H LEU A 95 -9.371 0.929 5.238 1.00 0.00 H new ATOM 0 HA LEU A 95 -8.618 2.824 3.466 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -9.513 -0.045 3.430 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -9.492 0.751 1.869 1.00 0.00 H new ATOM 0 HG LEU A 95 -7.116 0.970 3.714 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -6.156 -1.036 2.571 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -7.628 -1.452 3.482 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -7.697 -1.270 1.713 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -5.888 1.176 1.569 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -7.415 0.962 0.681 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -7.175 2.398 1.704 1.00 0.00 H new ATOM 1494 N THR A 96 -11.791 2.083 3.047 1.00 0.00 N ATOM 1495 CA THR A 96 -13.094 2.433 2.528 1.00 0.00 C ATOM 1496 C THR A 96 -14.083 1.747 3.473 1.00 0.00 C ATOM 1497 O THR A 96 -13.937 0.552 3.746 1.00 0.00 O ATOM 1498 CB THR A 96 -13.258 1.927 1.077 1.00 0.00 C ATOM 1499 OG1 THR A 96 -12.501 0.755 0.794 1.00 0.00 O ATOM 1500 CG2 THR A 96 -12.856 2.954 0.017 1.00 0.00 C ATOM 0 H THR A 96 -11.825 1.231 3.607 1.00 0.00 H new ATOM 0 HA THR A 96 -13.252 3.511 2.488 1.00 0.00 H new ATOM 0 HB THR A 96 -14.326 1.719 1.021 1.00 0.00 H new ATOM 0 HG1 THR A 96 -12.649 0.487 -0.137 1.00 0.00 H new ATOM 0 HG21 THR A 96 -12.998 2.527 -0.976 1.00 0.00 H new ATOM 0 HG22 THR A 96 -13.475 3.845 0.121 1.00 0.00 H new ATOM 0 HG23 THR A 96 -11.808 3.223 0.150 1.00 0.00 H new ATOM 1508 N LYS A 97 -15.103 2.462 3.952 1.00 0.00 N ATOM 1509 CA LYS A 97 -16.124 1.952 4.869 1.00 0.00 C ATOM 1510 C LYS A 97 -16.682 0.628 4.385 1.00 0.00 C ATOM 1511 O LYS A 97 -16.728 -0.330 5.155 1.00 0.00 O ATOM 1512 CB LYS A 97 -17.198 3.027 5.027 1.00 0.00 C ATOM 1513 CG LYS A 97 -18.194 2.740 6.151 1.00 0.00 C ATOM 1514 CD LYS A 97 -19.373 1.844 5.777 1.00 0.00 C ATOM 1515 CE LYS A 97 -20.355 2.616 4.888 1.00 0.00 C ATOM 1516 NZ LYS A 97 -21.559 1.836 4.543 1.00 0.00 N ATOM 0 H LYS A 97 -15.245 3.441 3.705 1.00 0.00 H new ATOM 0 HA LYS A 97 -15.690 1.744 5.847 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -16.715 3.985 5.217 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -17.742 3.125 4.088 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -17.657 2.276 6.978 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -18.585 3.690 6.517 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -19.015 0.957 5.254 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -19.879 1.499 6.679 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -20.656 3.531 5.398 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -19.848 2.915 3.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -22.184 2.410 3.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -21.280 0.975 4.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -22.063 1.572 5.414 1.00 0.00 H new ATOM 1530 N LYS A 98 -17.089 0.572 3.115 1.00 0.00 N ATOM 1531 CA LYS A 98 -17.654 -0.625 2.507 1.00 0.00 C ATOM 1532 C LYS A 98 -16.763 -1.836 2.740 1.00 0.00 C ATOM 1533 O LYS A 98 -17.251 -2.863 3.204 1.00 0.00 O ATOM 1534 CB LYS A 98 -17.912 -0.351 1.016 1.00 0.00 C ATOM 1535 CG LYS A 98 -18.590 -1.496 0.247 1.00 0.00 C ATOM 1536 CD LYS A 98 -17.631 -2.590 -0.260 1.00 0.00 C ATOM 1537 CE LYS A 98 -18.350 -3.668 -1.076 1.00 0.00 C ATOM 1538 NZ LYS A 98 -19.001 -3.144 -2.293 1.00 0.00 N ATOM 0 H LYS A 98 -17.033 1.366 2.477 1.00 0.00 H new ATOM 0 HA LYS A 98 -18.607 -0.866 2.979 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -18.533 0.541 0.929 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -16.960 -0.125 0.535 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -19.336 -1.958 0.894 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -19.123 -1.076 -0.606 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -16.855 -2.132 -0.873 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -17.133 -3.055 0.591 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -17.632 -4.438 -1.359 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -19.101 -4.148 -0.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -19.321 -3.937 -2.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -19.819 -2.560 -2.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -18.322 -2.565 -2.828 1.00 0.00 H new ATOM 1552 N SER A 99 -15.478 -1.748 2.395 1.00 0.00 N ATOM 1553 CA SER A 99 -14.578 -2.875 2.566 1.00 0.00 C ATOM 1554 C SER A 99 -14.293 -3.171 4.045 1.00 0.00 C ATOM 1555 O SER A 99 -14.108 -4.337 4.403 1.00 0.00 O ATOM 1556 CB SER A 99 -13.312 -2.629 1.740 1.00 0.00 C ATOM 1557 OG SER A 99 -12.443 -1.686 2.343 1.00 0.00 O ATOM 0 H SER A 99 -15.045 -0.913 1.999 1.00 0.00 H new ATOM 0 HA SER A 99 -15.056 -3.781 2.193 1.00 0.00 H new ATOM 0 HB2 SER A 99 -12.782 -3.572 1.605 1.00 0.00 H new ATOM 0 HB3 SER A 99 -13.593 -2.276 0.748 1.00 0.00 H new ATOM 0 HG SER A 99 -12.441 -0.859 1.817 1.00 0.00 H new ATOM 1563 N GLY A 100 -14.261 -2.135 4.894 1.00 0.00 N ATOM 1564 CA GLY A 100 -13.998 -2.229 6.328 1.00 0.00 C ATOM 1565 C GLY A 100 -12.552 -2.619 6.654 1.00 0.00 C ATOM 1566 O GLY A 100 -12.234 -2.863 7.815 1.00 0.00 O ATOM 0 H GLY A 100 -14.424 -1.176 4.586 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -14.223 -1.270 6.795 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -14.673 -2.964 6.767 1.00 0.00 H new ATOM 1570 N VAL A 101 -11.690 -2.688 5.644 1.00 0.00 N ATOM 1571 CA VAL A 101 -10.289 -3.059 5.730 1.00 0.00 C ATOM 1572 C VAL A 101 -9.444 -1.933 6.331 1.00 0.00 C ATOM 1573 O VAL A 101 -9.728 -0.761 6.085 1.00 0.00 O ATOM 1574 CB VAL A 101 -9.842 -3.350 4.287 1.00 0.00 C ATOM 1575 CG1 VAL A 101 -8.409 -3.834 4.158 1.00 0.00 C ATOM 1576 CG2 VAL A 101 -10.684 -4.427 3.595 1.00 0.00 C ATOM 0 H VAL A 101 -11.972 -2.473 4.688 1.00 0.00 H new ATOM 0 HA VAL A 101 -10.157 -3.923 6.381 1.00 0.00 H new ATOM 0 HB VAL A 101 -9.964 -2.374 3.817 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -8.179 -4.014 3.108 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -7.732 -3.076 4.553 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -8.285 -4.759 4.721 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -10.315 -4.582 2.581 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -10.612 -5.360 4.154 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -11.725 -4.106 3.557 1.00 0.00 H new ATOM 1586 N VAL A 102 -8.365 -2.282 7.039 1.00 0.00 N ATOM 1587 CA VAL A 102 -7.424 -1.355 7.664 1.00 0.00 C ATOM 1588 C VAL A 102 -6.007 -1.881 7.400 1.00 0.00 C ATOM 1589 O VAL A 102 -5.793 -3.096 7.376 1.00 0.00 O ATOM 1590 CB VAL A 102 -7.704 -1.242 9.182 1.00 0.00 C ATOM 1591 CG1 VAL A 102 -6.807 -0.199 9.866 1.00 0.00 C ATOM 1592 CG2 VAL A 102 -9.160 -0.861 9.475 1.00 0.00 C ATOM 0 H VAL A 102 -8.116 -3.258 7.197 1.00 0.00 H new ATOM 0 HA VAL A 102 -7.533 -0.356 7.243 1.00 0.00 H new ATOM 0 HB VAL A 102 -7.490 -2.233 9.582 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -7.043 -0.158 10.929 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -5.761 -0.478 9.736 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -6.980 0.780 9.418 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -9.309 -0.794 10.553 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -9.383 0.103 9.017 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -9.825 -1.621 9.064 1.00 0.00 H new ATOM 1602 N LEU A 103 -5.039 -0.995 7.147 1.00 0.00 N ATOM 1603 CA LEU A 103 -3.644 -1.373 6.921 1.00 0.00 C ATOM 1604 C LEU A 103 -3.026 -1.492 8.304 1.00 0.00 C ATOM 1605 O LEU A 103 -3.022 -0.514 9.055 1.00 0.00 O ATOM 1606 CB LEU A 103 -2.817 -0.316 6.161 1.00 0.00 C ATOM 1607 CG LEU A 103 -2.982 -0.308 4.638 1.00 0.00 C ATOM 1608 CD1 LEU A 103 -4.353 0.203 4.211 1.00 0.00 C ATOM 1609 CD2 LEU A 103 -1.929 0.609 4.010 1.00 0.00 C ATOM 0 H LEU A 103 -5.204 0.010 7.093 1.00 0.00 H new ATOM 0 HA LEU A 103 -3.633 -2.282 6.320 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -3.085 0.670 6.542 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -1.763 -0.472 6.392 1.00 0.00 H new ATOM 0 HG LEU A 103 -2.867 -1.338 4.301 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -4.423 0.191 3.123 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -5.128 -0.438 4.632 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -4.490 1.222 4.572 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -2.049 0.612 2.927 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -2.054 1.622 4.392 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -0.933 0.246 4.263 1.00 0.00 H new ATOM 1621 N HIS A 104 -2.502 -2.665 8.635 1.00 0.00 N ATOM 1622 CA HIS A 104 -1.858 -2.922 9.909 1.00 0.00 C ATOM 1623 C HIS A 104 -0.346 -3.021 9.735 1.00 0.00 C ATOM 1624 O HIS A 104 0.367 -2.527 10.608 1.00 0.00 O ATOM 1625 CB HIS A 104 -2.386 -4.205 10.562 1.00 0.00 C ATOM 1626 CG HIS A 104 -3.733 -4.091 11.238 1.00 0.00 C ATOM 1627 ND1 HIS A 104 -3.945 -4.115 12.599 1.00 0.00 N ATOM 1628 CD2 HIS A 104 -4.959 -4.044 10.630 1.00 0.00 C ATOM 1629 CE1 HIS A 104 -5.271 -4.045 12.813 1.00 0.00 C ATOM 1630 NE2 HIS A 104 -5.933 -4.038 11.640 1.00 0.00 N ATOM 0 H HIS A 104 -2.515 -3.474 8.014 1.00 0.00 H new ATOM 0 HA HIS A 104 -2.093 -2.084 10.565 1.00 0.00 H new ATOM 0 HB2 HIS A 104 -2.448 -4.980 9.798 1.00 0.00 H new ATOM 0 HB3 HIS A 104 -1.657 -4.542 11.300 1.00 0.00 H new ATOM 0 HD2 HIS A 104 -5.143 -4.017 9.566 1.00 0.00 H new ATOM 0 HE1 HIS A 104 -5.738 -4.001 13.786 1.00 0.00 H new ATOM 0 HE2 HIS A 104 -6.945 -4.030 11.511 1.00 0.00 H new ATOM 1638 N ARG A 105 0.180 -3.650 8.672 1.00 0.00 N ATOM 1639 CA ARG A 105 1.634 -3.757 8.508 1.00 0.00 C ATOM 1640 C ARG A 105 2.040 -4.002 7.061 1.00 0.00 C ATOM 1641 O ARG A 105 1.347 -4.703 6.327 1.00 0.00 O ATOM 1642 CB ARG A 105 2.179 -4.889 9.399 1.00 0.00 C ATOM 1643 CG ARG A 105 3.682 -4.710 9.648 1.00 0.00 C ATOM 1644 CD ARG A 105 4.184 -5.709 10.688 1.00 0.00 C ATOM 1645 NE ARG A 105 5.629 -5.539 10.912 1.00 0.00 N ATOM 1646 CZ ARG A 105 6.555 -6.499 10.824 1.00 0.00 C ATOM 1647 NH1 ARG A 105 6.206 -7.780 10.876 1.00 0.00 N ATOM 1648 NH2 ARG A 105 7.831 -6.156 10.701 1.00 0.00 N ATOM 0 H ARG A 105 -0.368 -4.083 7.929 1.00 0.00 H new ATOM 0 HA ARG A 105 2.064 -2.802 8.810 1.00 0.00 H new ATOM 0 HB2 ARG A 105 1.647 -4.898 10.350 1.00 0.00 H new ATOM 0 HB3 ARG A 105 1.997 -5.852 8.923 1.00 0.00 H new ATOM 0 HG2 ARG A 105 4.228 -4.845 8.714 1.00 0.00 H new ATOM 0 HG3 ARG A 105 3.880 -3.694 9.989 1.00 0.00 H new ATOM 0 HD2 ARG A 105 3.646 -5.568 11.625 1.00 0.00 H new ATOM 0 HD3 ARG A 105 3.979 -6.726 10.353 1.00 0.00 H new ATOM 0 HE ARG A 105 5.953 -4.603 11.157 1.00 0.00 H new ATOM 0 HH11 ARG A 105 5.225 -8.037 10.984 1.00 0.00 H new ATOM 0 HH12 ARG A 105 6.919 -8.506 10.808 1.00 0.00 H new ATOM 0 HH21 ARG A 105 8.094 -5.171 10.675 1.00 0.00 H new ATOM 0 HH22 ARG A 105 8.549 -6.878 10.633 1.00 0.00 H new ATOM 1662 N ALA A 106 3.164 -3.416 6.667 1.00 0.00 N ATOM 1663 CA ALA A 106 3.746 -3.519 5.341 1.00 0.00 C ATOM 1664 C ALA A 106 4.526 -4.826 5.187 1.00 0.00 C ATOM 1665 O ALA A 106 5.296 -5.173 6.087 1.00 0.00 O ATOM 1666 CB ALA A 106 4.719 -2.348 5.208 1.00 0.00 C ATOM 0 H ALA A 106 3.717 -2.831 7.293 1.00 0.00 H new ATOM 0 HA ALA A 106 2.965 -3.501 4.581 1.00 0.00 H new ATOM 0 HB1 ALA A 106 5.189 -2.375 4.225 1.00 0.00 H new ATOM 0 HB2 ALA A 106 4.177 -1.410 5.326 1.00 0.00 H new ATOM 0 HB3 ALA A 106 5.486 -2.423 5.979 1.00 0.00 H new ATOM 1672 N VAL A 107 4.367 -5.542 4.072 1.00 0.00 N ATOM 1673 CA VAL A 107 5.070 -6.780 3.796 1.00 0.00 C ATOM 1674 C VAL A 107 6.401 -6.385 3.124 1.00 0.00 C ATOM 1675 O VAL A 107 6.353 -5.749 2.074 1.00 0.00 O ATOM 1676 CB VAL A 107 4.189 -7.649 2.876 1.00 0.00 C ATOM 1677 CG1 VAL A 107 4.929 -8.928 2.506 1.00 0.00 C ATOM 1678 CG2 VAL A 107 2.853 -8.040 3.531 1.00 0.00 C ATOM 0 H VAL A 107 3.731 -5.265 3.325 1.00 0.00 H new ATOM 0 HA VAL A 107 5.276 -7.363 4.694 1.00 0.00 H new ATOM 0 HB VAL A 107 3.975 -7.048 1.992 1.00 0.00 H new ATOM 0 HG11 VAL A 107 4.301 -9.537 1.856 1.00 0.00 H new ATOM 0 HG12 VAL A 107 5.853 -8.676 1.985 1.00 0.00 H new ATOM 0 HG13 VAL A 107 5.164 -9.487 3.412 1.00 0.00 H new ATOM 0 HG21 VAL A 107 2.273 -8.651 2.839 1.00 0.00 H new ATOM 0 HG22 VAL A 107 3.046 -8.607 4.441 1.00 0.00 H new ATOM 0 HG23 VAL A 107 2.291 -7.139 3.778 1.00 0.00 H new ATOM 1688 N PRO A 108 7.578 -6.684 3.701 1.00 0.00 N ATOM 1689 CA PRO A 108 8.865 -6.342 3.106 1.00 0.00 C ATOM 1690 C PRO A 108 9.273 -7.316 1.992 1.00 0.00 C ATOM 1691 O PRO A 108 9.306 -8.527 2.213 1.00 0.00 O ATOM 1692 CB PRO A 108 9.870 -6.440 4.258 1.00 0.00 C ATOM 1693 CG PRO A 108 9.275 -7.509 5.174 1.00 0.00 C ATOM 1694 CD PRO A 108 7.766 -7.408 4.947 1.00 0.00 C ATOM 0 HA PRO A 108 8.823 -5.355 2.646 1.00 0.00 H new ATOM 0 HB2 PRO A 108 10.860 -6.725 3.902 1.00 0.00 H new ATOM 0 HB3 PRO A 108 9.980 -5.487 4.775 1.00 0.00 H new ATOM 0 HG2 PRO A 108 9.649 -8.501 4.922 1.00 0.00 H new ATOM 0 HG3 PRO A 108 9.533 -7.327 6.217 1.00 0.00 H new ATOM 0 HD2 PRO A 108 7.316 -8.399 4.890 1.00 0.00 H new ATOM 0 HD3 PRO A 108 7.284 -6.886 5.774 1.00 0.00 H new ATOM 1702 N SER A 109 9.677 -6.788 0.833 1.00 0.00 N ATOM 1703 CA SER A 109 10.133 -7.573 -0.317 1.00 0.00 C ATOM 1704 C SER A 109 11.305 -8.479 0.097 1.00 0.00 C ATOM 1705 O SER A 109 11.297 -9.677 -0.187 1.00 0.00 O ATOM 1706 CB SER A 109 10.526 -6.603 -1.440 1.00 0.00 C ATOM 1707 OG SER A 109 10.831 -7.237 -2.667 1.00 0.00 O ATOM 0 H SER A 109 9.696 -5.782 0.665 1.00 0.00 H new ATOM 0 HA SER A 109 9.338 -8.224 -0.680 1.00 0.00 H new ATOM 0 HB2 SER A 109 9.710 -5.899 -1.600 1.00 0.00 H new ATOM 0 HB3 SER A 109 11.390 -6.022 -1.118 1.00 0.00 H new ATOM 0 HG SER A 109 11.070 -6.560 -3.334 1.00 0.00 H new