USER MOD reduce.3.24.130724 H: found=0, std=0, add=803, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 805 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 40 TYR OH : rot 131:sc= 1.38 USER MOD Set 1.2: A 93 GLN : amide:sc= -0.0368 K(o=1.3,f=0.37) USER MOD Set 2.1: A 92 TYR OH : rot 150:sc= -0.0385 USER MOD Set 2.2: A 100 SER OG : rot 153:sc= 0.236 USER MOD Set 3.1: A 13 TYR OH : rot -24:sc= 0.0789 USER MOD Set 3.2: A 84 SER OG : rot 160:sc= 0.0812 USER MOD Set 4.1: A 80 LYS NZ :NH3+ -160:sc= -0.0126 (180deg=-0.536) USER MOD Set 4.2: A 91 TYR OH : rot -167:sc= 1.18 USER MOD Set 5.1: A 55 SER OG : rot 34:sc= 0.408 USER MOD Set 5.2: A 64 HIS : no HD1:sc= 0 X(o=0.41,f=0.068) USER MOD Set 6.1: A 35 HIS : no HD1:sc= -3.94! K(o=-4.2!,f=-2.9) USER MOD Set 6.2: A 39 THR OG1 : rot -148:sc= -0.256 USER MOD Single : A 14 THR OG1 : rot -8:sc= 1.21 USER MOD Single : A 16 TYR OH : rot 180:sc= -0.0325 USER MOD Single : A 22 ASN : amide:sc= -1.5! C(o=-1.5!,f=-1!) USER MOD Single : A 23 MET CE :methyl 158:sc= -1.92 (180deg=-3.92!) USER MOD Single : A 26 GLN : amide:sc= -0.116 K(o=-0.12,f=-2!) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 28 THR OG1 : rot 81:sc= 0.288 USER MOD Single : A 30 ASN : amide:sc= -0.0824 K(o=-0.082,f=-1.4) USER MOD Single : A 33 LYS NZ :NH3+ 150:sc= -0.361 (180deg=-1.86!) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ -120:sc= -0.0142 (180deg=-1.94!) USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=0.06) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 75 HIS : no HD1:sc= -0.0019 X(o=-0.0019,f=-0.22) USER MOD Single : A 77 THR OG1 : rot -54:sc= 0.0109 USER MOD Single : A 81 LYS NZ :NH3+ -155:sc= 0 (180deg=-0.00698) USER MOD Single : A 94 CYS SG : rot 180:sc= 0 USER MOD Single : A 95 HIS : no HE2:sc= -3.34! C(o=-3.3!,f=-15!) USER MOD Single : A 96 SER OG : rot 180:sc= -0.692 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ -160:sc=-0.00578 (180deg=-0.459) USER MOD Single : A 103 GLN : amide:sc= -0.967 K(o=-0.97,f=-2.3!) USER MOD Single : A 106 THR OG1 : rot 180:sc= -0.0806 USER MOD Single : A 107 THR OG1 : rot 25:sc= 0.0997 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 TYR OH : rot 180:sc= -0.0811 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 116 N ILE A 11 1.922 -11.015 -9.712 1.00 0.00 N ATOM 117 CA ILE A 11 2.094 -9.602 -10.029 1.00 0.00 C ATOM 118 C ILE A 11 3.319 -9.025 -9.329 1.00 0.00 C ATOM 119 O ILE A 11 3.477 -9.168 -8.117 1.00 0.00 O ATOM 120 CB ILE A 11 0.853 -8.781 -9.630 1.00 0.00 C ATOM 121 CG1 ILE A 11 -0.410 -9.395 -10.237 1.00 0.00 C ATOM 122 CG2 ILE A 11 1.011 -7.334 -10.074 1.00 0.00 C ATOM 123 CD1 ILE A 11 -1.691 -8.803 -9.695 1.00 0.00 C ATOM 0 HA ILE A 11 2.232 -9.536 -11.108 1.00 0.00 H new ATOM 0 HB ILE A 11 0.757 -8.800 -8.544 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -0.386 -9.260 -11.318 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -0.408 -10.469 -10.050 1.00 0.00 H new ATOM 0 HG21 ILE A 11 0.127 -6.766 -9.785 1.00 0.00 H new ATOM 0 HG22 ILE A 11 1.891 -6.901 -9.598 1.00 0.00 H new ATOM 0 HG23 ILE A 11 1.129 -7.296 -11.157 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -2.545 -9.286 -10.170 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -1.738 -8.961 -8.618 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -1.715 -7.734 -9.906 1.00 0.00 H new ATOM 135 N ASP A 12 4.181 -8.372 -10.099 1.00 0.00 N ATOM 136 CA ASP A 12 5.391 -7.770 -9.552 1.00 0.00 C ATOM 137 C ASP A 12 5.111 -6.365 -9.028 1.00 0.00 C ATOM 138 O ASP A 12 4.939 -5.424 -9.805 1.00 0.00 O ATOM 139 CB ASP A 12 6.488 -7.721 -10.617 1.00 0.00 C ATOM 140 CG ASP A 12 7.778 -7.120 -10.092 1.00 0.00 C ATOM 141 OD1 ASP A 12 7.711 -6.296 -9.156 1.00 0.00 O ATOM 142 OD2 ASP A 12 8.854 -7.474 -10.619 1.00 0.00 O ATOM 0 H ASP A 12 4.065 -8.246 -11.104 1.00 0.00 H new ATOM 0 HA ASP A 12 5.730 -8.387 -8.720 1.00 0.00 H new ATOM 0 HB2 ASP A 12 6.682 -8.730 -10.981 1.00 0.00 H new ATOM 0 HB3 ASP A 12 6.138 -7.137 -11.468 1.00 0.00 H new ATOM 147 N TYR A 13 5.064 -6.230 -7.708 1.00 0.00 N ATOM 148 CA TYR A 13 4.801 -4.940 -7.080 1.00 0.00 C ATOM 149 C TYR A 13 6.084 -4.126 -6.948 1.00 0.00 C ATOM 150 O TYR A 13 6.053 -2.895 -6.922 1.00 0.00 O ATOM 151 CB TYR A 13 4.166 -5.140 -5.703 1.00 0.00 C ATOM 152 CG TYR A 13 3.229 -6.325 -5.634 1.00 0.00 C ATOM 153 CD1 TYR A 13 2.059 -6.356 -6.383 1.00 0.00 C ATOM 154 CD2 TYR A 13 3.513 -7.413 -4.820 1.00 0.00 C ATOM 155 CE1 TYR A 13 1.200 -7.435 -6.323 1.00 0.00 C ATOM 156 CE2 TYR A 13 2.661 -8.499 -4.754 1.00 0.00 C ATOM 157 CZ TYR A 13 1.506 -8.505 -5.507 1.00 0.00 C ATOM 158 OH TYR A 13 0.653 -9.583 -5.444 1.00 0.00 O ATOM 0 H TYR A 13 5.205 -6.998 -7.051 1.00 0.00 H new ATOM 0 HA TYR A 13 4.108 -4.390 -7.716 1.00 0.00 H new ATOM 0 HB2 TYR A 13 4.956 -5.269 -4.963 1.00 0.00 H new ATOM 0 HB3 TYR A 13 3.618 -4.238 -5.430 1.00 0.00 H new ATOM 0 HD1 TYR A 13 1.817 -5.521 -7.024 1.00 0.00 H new ATOM 0 HD2 TYR A 13 4.416 -7.411 -4.228 1.00 0.00 H new ATOM 0 HE1 TYR A 13 0.294 -7.442 -6.911 1.00 0.00 H new ATOM 0 HE2 TYR A 13 2.898 -9.338 -4.117 1.00 0.00 H new ATOM 0 HH TYR A 13 -0.251 -9.300 -5.695 1.00 0.00 H new ATOM 168 N THR A 14 7.212 -4.823 -6.864 1.00 0.00 N ATOM 169 CA THR A 14 8.508 -4.167 -6.734 1.00 0.00 C ATOM 170 C THR A 14 8.904 -3.470 -8.031 1.00 0.00 C ATOM 171 O THR A 14 9.934 -2.800 -8.096 1.00 0.00 O ATOM 172 CB THR A 14 9.609 -5.171 -6.347 1.00 0.00 C ATOM 173 OG1 THR A 14 9.691 -6.212 -7.329 1.00 0.00 O ATOM 174 CG2 THR A 14 9.334 -5.777 -4.979 1.00 0.00 C ATOM 0 H THR A 14 7.255 -5.842 -6.884 1.00 0.00 H new ATOM 0 HA THR A 14 8.409 -3.425 -5.942 1.00 0.00 H new ATOM 0 HB THR A 14 10.558 -4.636 -6.305 1.00 0.00 H new ATOM 0 HG1 THR A 14 8.942 -6.130 -7.956 1.00 0.00 H new ATOM 0 HG21 THR A 14 10.126 -6.483 -4.728 1.00 0.00 H new ATOM 0 HG22 THR A 14 9.303 -4.986 -4.230 1.00 0.00 H new ATOM 0 HG23 THR A 14 8.376 -6.297 -4.997 1.00 0.00 H new ATOM 182 N ALA A 15 8.079 -3.631 -9.060 1.00 0.00 N ATOM 183 CA ALA A 15 8.342 -3.014 -10.355 1.00 0.00 C ATOM 184 C ALA A 15 7.767 -1.604 -10.417 1.00 0.00 C ATOM 185 O ALA A 15 8.302 -0.734 -11.105 1.00 0.00 O ATOM 186 CB ALA A 15 7.769 -3.871 -11.473 1.00 0.00 C ATOM 0 H ALA A 15 7.222 -4.184 -9.022 1.00 0.00 H new ATOM 0 HA ALA A 15 9.422 -2.943 -10.485 1.00 0.00 H new ATOM 0 HB1 ALA A 15 7.972 -3.399 -12.434 1.00 0.00 H new ATOM 0 HB2 ALA A 15 8.231 -4.858 -11.448 1.00 0.00 H new ATOM 0 HB3 ALA A 15 6.692 -3.972 -11.339 1.00 0.00 H new ATOM 192 N TYR A 16 6.673 -1.383 -9.697 1.00 0.00 N ATOM 193 CA TYR A 16 6.022 -0.079 -9.673 1.00 0.00 C ATOM 194 C TYR A 16 6.835 0.920 -8.856 1.00 0.00 C ATOM 195 O TYR A 16 7.469 0.576 -7.858 1.00 0.00 O ATOM 196 CB TYR A 16 4.611 -0.199 -9.096 1.00 0.00 C ATOM 197 CG TYR A 16 3.630 -0.869 -10.031 1.00 0.00 C ATOM 198 CD1 TYR A 16 3.166 -0.215 -11.166 1.00 0.00 C ATOM 199 CD2 TYR A 16 3.164 -2.154 -9.779 1.00 0.00 C ATOM 200 CE1 TYR A 16 2.267 -0.822 -12.024 1.00 0.00 C ATOM 201 CE2 TYR A 16 2.268 -2.769 -10.632 1.00 0.00 C ATOM 202 CZ TYR A 16 1.823 -2.099 -11.752 1.00 0.00 C ATOM 203 OH TYR A 16 0.928 -2.708 -12.602 1.00 0.00 O ATOM 0 H TYR A 16 6.218 -2.091 -9.121 1.00 0.00 H new ATOM 0 HA TYR A 16 5.957 0.285 -10.698 1.00 0.00 H new ATOM 0 HB2 TYR A 16 4.655 -0.763 -8.164 1.00 0.00 H new ATOM 0 HB3 TYR A 16 4.243 0.797 -8.849 1.00 0.00 H new ATOM 0 HD1 TYR A 16 3.513 0.785 -11.382 1.00 0.00 H new ATOM 0 HD2 TYR A 16 3.508 -2.681 -8.901 1.00 0.00 H new ATOM 0 HE1 TYR A 16 1.915 -0.299 -12.901 1.00 0.00 H new ATOM 0 HE2 TYR A 16 1.918 -3.769 -10.423 1.00 0.00 H new ATOM 0 HH TYR A 16 0.718 -3.605 -12.268 1.00 0.00 H new ATOM 213 N PRO A 17 6.816 2.190 -9.287 1.00 0.00 N ATOM 214 CA PRO A 17 7.544 3.267 -8.610 1.00 0.00 C ATOM 215 C PRO A 17 6.937 3.616 -7.256 1.00 0.00 C ATOM 216 O PRO A 17 7.635 4.072 -6.350 1.00 0.00 O ATOM 217 CB PRO A 17 7.410 4.448 -9.576 1.00 0.00 C ATOM 218 CG PRO A 17 6.165 4.169 -10.345 1.00 0.00 C ATOM 219 CD PRO A 17 6.081 2.673 -10.469 1.00 0.00 C ATOM 0 HA PRO A 17 8.576 2.988 -8.395 1.00 0.00 H new ATOM 0 HB2 PRO A 17 7.340 5.393 -9.038 1.00 0.00 H new ATOM 0 HB3 PRO A 17 8.275 4.520 -10.235 1.00 0.00 H new ATOM 0 HG2 PRO A 17 5.291 4.568 -9.830 1.00 0.00 H new ATOM 0 HG3 PRO A 17 6.199 4.641 -11.327 1.00 0.00 H new ATOM 0 HD2 PRO A 17 5.047 2.327 -10.468 1.00 0.00 H new ATOM 0 HD3 PRO A 17 6.534 2.321 -11.396 1.00 0.00 H new ATOM 227 N TRP A 18 5.634 3.396 -7.124 1.00 0.00 N ATOM 228 CA TRP A 18 4.933 3.686 -5.877 1.00 0.00 C ATOM 229 C TRP A 18 5.190 2.598 -4.841 1.00 0.00 C ATOM 230 O TRP A 18 4.610 2.612 -3.755 1.00 0.00 O ATOM 231 CB TRP A 18 3.431 3.821 -6.133 1.00 0.00 C ATOM 232 CG TRP A 18 2.877 2.734 -7.004 1.00 0.00 C ATOM 233 CD1 TRP A 18 2.478 2.851 -8.306 1.00 0.00 C ATOM 234 CD2 TRP A 18 2.661 1.368 -6.638 1.00 0.00 C ATOM 235 NE1 TRP A 18 2.026 1.639 -8.769 1.00 0.00 N ATOM 236 CE2 TRP A 18 2.129 0.713 -7.765 1.00 0.00 C ATOM 237 CE3 TRP A 18 2.867 0.632 -5.467 1.00 0.00 C ATOM 238 CZ2 TRP A 18 1.799 -0.640 -7.754 1.00 0.00 C ATOM 239 CZ3 TRP A 18 2.538 -0.709 -5.457 1.00 0.00 C ATOM 240 CH2 TRP A 18 2.011 -1.335 -6.594 1.00 0.00 C ATOM 0 H TRP A 18 5.042 3.018 -7.863 1.00 0.00 H new ATOM 0 HA TRP A 18 5.314 4.629 -5.486 1.00 0.00 H new ATOM 0 HB2 TRP A 18 2.905 3.815 -5.178 1.00 0.00 H new ATOM 0 HB3 TRP A 18 3.234 4.786 -6.600 1.00 0.00 H new ATOM 0 HD1 TRP A 18 2.513 3.762 -8.885 1.00 0.00 H new ATOM 0 HE1 TRP A 18 1.671 1.458 -9.708 1.00 0.00 H new ATOM 0 HE3 TRP A 18 3.276 1.104 -4.586 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 1.391 -1.123 -8.629 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 2.690 -1.286 -4.556 1.00 0.00 H new ATOM 0 HH2 TRP A 18 1.767 -2.386 -6.555 1.00 0.00 H new ATOM 251 N PHE A 19 6.062 1.655 -5.183 1.00 0.00 N ATOM 252 CA PHE A 19 6.395 0.558 -4.282 1.00 0.00 C ATOM 253 C PHE A 19 7.648 0.880 -3.474 1.00 0.00 C ATOM 254 O PHE A 19 8.683 1.244 -4.032 1.00 0.00 O ATOM 255 CB PHE A 19 6.602 -0.735 -5.074 1.00 0.00 C ATOM 256 CG PHE A 19 7.513 -1.715 -4.393 1.00 0.00 C ATOM 257 CD1 PHE A 19 8.888 -1.617 -4.534 1.00 0.00 C ATOM 258 CD2 PHE A 19 6.995 -2.735 -3.612 1.00 0.00 C ATOM 259 CE1 PHE A 19 9.730 -2.517 -3.908 1.00 0.00 C ATOM 260 CE2 PHE A 19 7.831 -3.638 -2.983 1.00 0.00 C ATOM 261 CZ PHE A 19 9.200 -3.529 -3.132 1.00 0.00 C ATOM 0 H PHE A 19 6.551 1.629 -6.078 1.00 0.00 H new ATOM 0 HA PHE A 19 5.563 0.423 -3.590 1.00 0.00 H new ATOM 0 HB2 PHE A 19 5.634 -1.207 -5.243 1.00 0.00 H new ATOM 0 HB3 PHE A 19 7.012 -0.490 -6.054 1.00 0.00 H new ATOM 0 HD1 PHE A 19 9.307 -0.828 -5.140 1.00 0.00 H new ATOM 0 HD2 PHE A 19 5.925 -2.826 -3.493 1.00 0.00 H new ATOM 0 HE1 PHE A 19 10.800 -2.429 -4.026 1.00 0.00 H new ATOM 0 HE2 PHE A 19 7.414 -4.428 -2.376 1.00 0.00 H new ATOM 0 HZ PHE A 19 9.855 -4.234 -2.642 1.00 0.00 H new ATOM 271 N ALA A 20 7.546 0.742 -2.156 1.00 0.00 N ATOM 272 CA ALA A 20 8.671 1.016 -1.270 1.00 0.00 C ATOM 273 C ALA A 20 9.441 -0.260 -0.949 1.00 0.00 C ATOM 274 O ALA A 20 10.624 -0.379 -1.262 1.00 0.00 O ATOM 275 CB ALA A 20 8.185 1.679 0.011 1.00 0.00 C ATOM 0 H ALA A 20 6.696 0.442 -1.678 1.00 0.00 H new ATOM 0 HA ALA A 20 9.349 1.698 -1.784 1.00 0.00 H new ATOM 0 HB1 ALA A 20 9.035 1.878 0.663 1.00 0.00 H new ATOM 0 HB2 ALA A 20 7.687 2.618 -0.232 1.00 0.00 H new ATOM 0 HB3 ALA A 20 7.484 1.017 0.520 1.00 0.00 H new ATOM 281 N GLY A 21 8.759 -1.215 -0.322 1.00 0.00 N ATOM 282 CA GLY A 21 9.396 -2.470 0.032 1.00 0.00 C ATOM 283 C GLY A 21 10.176 -2.379 1.328 1.00 0.00 C ATOM 284 O GLY A 21 11.193 -1.690 1.401 1.00 0.00 O ATOM 0 H GLY A 21 7.778 -1.141 -0.053 1.00 0.00 H new ATOM 0 HA2 GLY A 21 8.636 -3.247 0.123 1.00 0.00 H new ATOM 0 HA3 GLY A 21 10.067 -2.773 -0.772 1.00 0.00 H new ATOM 288 N ASN A 22 9.700 -3.075 2.355 1.00 0.00 N ATOM 289 CA ASN A 22 10.359 -3.067 3.655 1.00 0.00 C ATOM 290 C ASN A 22 10.856 -1.668 4.005 1.00 0.00 C ATOM 291 O ASN A 22 12.029 -1.477 4.326 1.00 0.00 O ATOM 292 CB ASN A 22 11.529 -4.053 3.663 1.00 0.00 C ATOM 293 CG ASN A 22 12.343 -3.974 4.940 1.00 0.00 C ATOM 294 OD1 ASN A 22 11.873 -4.351 6.014 1.00 0.00 O ATOM 295 ND2 ASN A 22 13.572 -3.483 4.829 1.00 0.00 N ATOM 0 H ASN A 22 8.860 -3.652 2.312 1.00 0.00 H new ATOM 0 HA ASN A 22 9.630 -3.372 4.406 1.00 0.00 H new ATOM 0 HB2 ASN A 22 11.147 -5.067 3.541 1.00 0.00 H new ATOM 0 HB3 ASN A 22 12.176 -3.851 2.810 1.00 0.00 H new ATOM 0 HD21 ASN A 22 14.167 -3.406 5.654 1.00 0.00 H new ATOM 0 HD22 ASN A 22 13.921 -3.182 3.919 1.00 0.00 H new ATOM 302 N MET A 23 9.955 -0.693 3.943 1.00 0.00 N ATOM 303 CA MET A 23 10.301 0.688 4.255 1.00 0.00 C ATOM 304 C MET A 23 10.109 0.975 5.740 1.00 0.00 C ATOM 305 O MET A 23 9.330 0.302 6.415 1.00 0.00 O ATOM 306 CB MET A 23 9.450 1.651 3.424 1.00 0.00 C ATOM 307 CG MET A 23 9.465 3.079 3.943 1.00 0.00 C ATOM 308 SD MET A 23 8.618 4.227 2.841 1.00 0.00 S ATOM 309 CE MET A 23 9.981 5.270 2.328 1.00 0.00 C ATOM 0 H MET A 23 8.980 -0.834 3.679 1.00 0.00 H new ATOM 0 HA MET A 23 11.352 0.837 4.007 1.00 0.00 H new ATOM 0 HB2 MET A 23 9.808 1.644 2.395 1.00 0.00 H new ATOM 0 HB3 MET A 23 8.421 1.291 3.406 1.00 0.00 H new ATOM 0 HG2 MET A 23 8.993 3.109 4.925 1.00 0.00 H new ATOM 0 HG3 MET A 23 10.497 3.403 4.075 1.00 0.00 H new ATOM 0 HE1 MET A 23 9.731 5.758 1.386 1.00 0.00 H new ATOM 0 HE2 MET A 23 10.167 6.026 3.090 1.00 0.00 H new ATOM 0 HE3 MET A 23 10.875 4.661 2.195 1.00 0.00 H new ATOM 319 N GLU A 24 10.824 1.977 6.243 1.00 0.00 N ATOM 320 CA GLU A 24 10.731 2.349 7.651 1.00 0.00 C ATOM 321 C GLU A 24 9.540 3.273 7.891 1.00 0.00 C ATOM 322 O GLU A 24 9.178 4.073 7.030 1.00 0.00 O ATOM 323 CB GLU A 24 12.022 3.035 8.105 1.00 0.00 C ATOM 324 CG GLU A 24 13.238 2.124 8.077 1.00 0.00 C ATOM 325 CD GLU A 24 13.552 1.613 6.684 1.00 0.00 C ATOM 326 OE1 GLU A 24 14.154 2.372 5.897 1.00 0.00 O ATOM 327 OE2 GLU A 24 13.195 0.455 6.381 1.00 0.00 O ATOM 0 H GLU A 24 11.473 2.545 5.698 1.00 0.00 H new ATOM 0 HA GLU A 24 10.587 1.439 8.233 1.00 0.00 H new ATOM 0 HB2 GLU A 24 12.210 3.897 7.465 1.00 0.00 H new ATOM 0 HB3 GLU A 24 11.885 3.414 9.118 1.00 0.00 H new ATOM 0 HG2 GLU A 24 14.101 2.665 8.465 1.00 0.00 H new ATOM 0 HG3 GLU A 24 13.068 1.277 8.741 1.00 0.00 H new ATOM 334 N ARG A 25 8.935 3.153 9.068 1.00 0.00 N ATOM 335 CA ARG A 25 7.784 3.974 9.423 1.00 0.00 C ATOM 336 C ARG A 25 8.187 5.439 9.573 1.00 0.00 C ATOM 337 O ARG A 25 7.376 6.340 9.361 1.00 0.00 O ATOM 338 CB ARG A 25 7.152 3.471 10.722 1.00 0.00 C ATOM 339 CG ARG A 25 7.812 4.025 11.974 1.00 0.00 C ATOM 340 CD ARG A 25 9.155 3.360 12.236 1.00 0.00 C ATOM 341 NE ARG A 25 9.886 4.010 13.320 1.00 0.00 N ATOM 342 CZ ARG A 25 9.633 3.800 14.607 1.00 0.00 C ATOM 343 NH1 ARG A 25 8.671 2.961 14.969 1.00 0.00 N ATOM 344 NH2 ARG A 25 10.341 4.430 15.536 1.00 0.00 N ATOM 0 H ARG A 25 9.223 2.495 9.792 1.00 0.00 H new ATOM 0 HA ARG A 25 7.052 3.897 8.619 1.00 0.00 H new ATOM 0 HB2 ARG A 25 6.095 3.739 10.730 1.00 0.00 H new ATOM 0 HB3 ARG A 25 7.205 2.383 10.745 1.00 0.00 H new ATOM 0 HG2 ARG A 25 7.952 5.101 11.867 1.00 0.00 H new ATOM 0 HG3 ARG A 25 7.156 3.872 12.831 1.00 0.00 H new ATOM 0 HD2 ARG A 25 8.997 2.310 12.484 1.00 0.00 H new ATOM 0 HD3 ARG A 25 9.756 3.386 11.327 1.00 0.00 H new ATOM 0 HE ARG A 25 10.632 4.661 13.076 1.00 0.00 H new ATOM 0 HH11 ARG A 25 8.124 2.475 14.258 1.00 0.00 H new ATOM 0 HH12 ARG A 25 8.479 2.802 15.958 1.00 0.00 H new ATOM 0 HH21 ARG A 25 11.081 5.077 15.262 1.00 0.00 H new ATOM 0 HH22 ARG A 25 10.145 4.268 16.524 1.00 0.00 H new ATOM 358 N GLN A 26 9.443 5.666 9.941 1.00 0.00 N ATOM 359 CA GLN A 26 9.953 7.021 10.122 1.00 0.00 C ATOM 360 C GLN A 26 10.328 7.644 8.781 1.00 0.00 C ATOM 361 O GLN A 26 9.982 8.791 8.501 1.00 0.00 O ATOM 362 CB GLN A 26 11.168 7.012 11.052 1.00 0.00 C ATOM 363 CG GLN A 26 11.718 8.398 11.345 1.00 0.00 C ATOM 364 CD GLN A 26 12.529 8.445 12.625 1.00 0.00 C ATOM 365 OE1 GLN A 26 12.407 7.569 13.483 1.00 0.00 O ATOM 366 NE2 GLN A 26 13.363 9.469 12.762 1.00 0.00 N ATOM 0 H GLN A 26 10.127 4.930 10.120 1.00 0.00 H new ATOM 0 HA GLN A 26 9.164 7.622 10.574 1.00 0.00 H new ATOM 0 HB2 GLN A 26 10.893 6.533 11.992 1.00 0.00 H new ATOM 0 HB3 GLN A 26 11.954 6.405 10.603 1.00 0.00 H new ATOM 0 HG2 GLN A 26 12.342 8.721 10.512 1.00 0.00 H new ATOM 0 HG3 GLN A 26 10.892 9.105 11.417 1.00 0.00 H new ATOM 0 HE21 GLN A 26 13.432 10.172 12.026 1.00 0.00 H new ATOM 0 HE22 GLN A 26 13.934 9.553 13.603 1.00 0.00 H new ATOM 375 N GLN A 27 11.039 6.881 7.958 1.00 0.00 N ATOM 376 CA GLN A 27 11.464 7.359 6.647 1.00 0.00 C ATOM 377 C GLN A 27 10.262 7.790 5.811 1.00 0.00 C ATOM 378 O GLN A 27 10.327 8.770 5.069 1.00 0.00 O ATOM 379 CB GLN A 27 12.248 6.271 5.912 1.00 0.00 C ATOM 380 CG GLN A 27 12.785 6.715 4.562 1.00 0.00 C ATOM 381 CD GLN A 27 14.097 7.466 4.673 1.00 0.00 C ATOM 382 OE1 GLN A 27 15.057 6.976 5.269 1.00 0.00 O ATOM 383 NE2 GLN A 27 14.147 8.662 4.099 1.00 0.00 N ATOM 0 H GLN A 27 11.333 5.929 8.175 1.00 0.00 H new ATOM 0 HA GLN A 27 12.111 8.224 6.795 1.00 0.00 H new ATOM 0 HB2 GLN A 27 13.081 5.950 6.537 1.00 0.00 H new ATOM 0 HB3 GLN A 27 11.603 5.404 5.770 1.00 0.00 H new ATOM 0 HG2 GLN A 27 12.924 5.841 3.926 1.00 0.00 H new ATOM 0 HG3 GLN A 27 12.047 7.351 4.073 1.00 0.00 H new ATOM 0 HE21 GLN A 27 13.328 9.030 3.615 1.00 0.00 H new ATOM 0 HE22 GLN A 27 15.004 9.213 4.142 1.00 0.00 H new ATOM 392 N THR A 28 9.166 7.048 5.934 1.00 0.00 N ATOM 393 CA THR A 28 7.950 7.351 5.189 1.00 0.00 C ATOM 394 C THR A 28 7.376 8.703 5.598 1.00 0.00 C ATOM 395 O THR A 28 7.084 9.546 4.751 1.00 0.00 O ATOM 396 CB THR A 28 6.878 6.266 5.397 1.00 0.00 C ATOM 397 OG1 THR A 28 7.496 4.979 5.500 1.00 0.00 O ATOM 398 CG2 THR A 28 5.880 6.264 4.249 1.00 0.00 C ATOM 0 H THR A 28 9.095 6.233 6.543 1.00 0.00 H new ATOM 0 HA THR A 28 8.225 7.381 4.135 1.00 0.00 H new ATOM 0 HB THR A 28 6.344 6.487 6.321 1.00 0.00 H new ATOM 0 HG1 THR A 28 7.833 4.850 6.411 1.00 0.00 H new ATOM 0 HG21 THR A 28 5.132 5.489 4.418 1.00 0.00 H new ATOM 0 HG22 THR A 28 5.389 7.236 4.192 1.00 0.00 H new ATOM 0 HG23 THR A 28 6.402 6.066 3.313 1.00 0.00 H new ATOM 406 N ASP A 29 7.219 8.902 6.902 1.00 0.00 N ATOM 407 CA ASP A 29 6.682 10.154 7.424 1.00 0.00 C ATOM 408 C ASP A 29 7.714 11.273 7.323 1.00 0.00 C ATOM 409 O ASP A 29 7.388 12.447 7.486 1.00 0.00 O ATOM 410 CB ASP A 29 6.245 9.977 8.879 1.00 0.00 C ATOM 411 CG ASP A 29 5.166 10.963 9.283 1.00 0.00 C ATOM 412 OD1 ASP A 29 5.204 12.114 8.800 1.00 0.00 O ATOM 413 OD2 ASP A 29 4.284 10.584 10.082 1.00 0.00 O ATOM 0 H ASP A 29 7.456 8.214 7.617 1.00 0.00 H new ATOM 0 HA ASP A 29 5.816 10.428 6.822 1.00 0.00 H new ATOM 0 HB2 ASP A 29 5.878 8.961 9.024 1.00 0.00 H new ATOM 0 HB3 ASP A 29 7.109 10.100 9.532 1.00 0.00 H new ATOM 418 N ASN A 30 8.960 10.898 7.054 1.00 0.00 N ATOM 419 CA ASN A 30 10.041 11.870 6.933 1.00 0.00 C ATOM 420 C ASN A 30 10.127 12.414 5.510 1.00 0.00 C ATOM 421 O ASN A 30 10.472 13.577 5.297 1.00 0.00 O ATOM 422 CB ASN A 30 11.375 11.234 7.328 1.00 0.00 C ATOM 423 CG ASN A 30 11.658 11.361 8.813 1.00 0.00 C ATOM 424 OD1 ASN A 30 10.791 11.763 9.590 1.00 0.00 O ATOM 425 ND2 ASN A 30 12.876 11.017 9.214 1.00 0.00 N ATOM 0 H ASN A 30 9.246 9.929 6.916 1.00 0.00 H new ATOM 0 HA ASN A 30 9.827 12.698 7.608 1.00 0.00 H new ATOM 0 HB2 ASN A 30 11.368 10.180 7.051 1.00 0.00 H new ATOM 0 HB3 ASN A 30 12.180 11.706 6.766 1.00 0.00 H new ATOM 0 HD21 ASN A 30 13.125 11.081 10.201 1.00 0.00 H new ATOM 0 HD22 ASN A 30 13.563 10.689 8.535 1.00 0.00 H new ATOM 432 N LEU A 31 9.811 11.564 4.538 1.00 0.00 N ATOM 433 CA LEU A 31 9.852 11.959 3.134 1.00 0.00 C ATOM 434 C LEU A 31 8.488 12.463 2.670 1.00 0.00 C ATOM 435 O LEU A 31 8.398 13.417 1.896 1.00 0.00 O ATOM 436 CB LEU A 31 10.294 10.780 2.266 1.00 0.00 C ATOM 437 CG LEU A 31 9.200 9.787 1.873 1.00 0.00 C ATOM 438 CD1 LEU A 31 8.556 10.194 0.556 1.00 0.00 C ATOM 439 CD2 LEU A 31 9.767 8.378 1.778 1.00 0.00 C ATOM 0 H LEU A 31 9.524 10.598 4.696 1.00 0.00 H new ATOM 0 HA LEU A 31 10.573 12.770 3.031 1.00 0.00 H new ATOM 0 HB2 LEU A 31 10.743 11.174 1.354 1.00 0.00 H new ATOM 0 HB3 LEU A 31 11.076 10.237 2.797 1.00 0.00 H new ATOM 0 HG LEU A 31 8.433 9.797 2.647 1.00 0.00 H new ATOM 0 HD11 LEU A 31 7.780 9.475 0.293 1.00 0.00 H new ATOM 0 HD12 LEU A 31 8.113 11.185 0.658 1.00 0.00 H new ATOM 0 HD13 LEU A 31 9.313 10.214 -0.228 1.00 0.00 H new ATOM 0 HD21 LEU A 31 8.974 7.685 1.497 1.00 0.00 H new ATOM 0 HD22 LEU A 31 10.555 8.353 1.025 1.00 0.00 H new ATOM 0 HD23 LEU A 31 10.179 8.086 2.744 1.00 0.00 H new ATOM 451 N LEU A 32 7.431 11.818 3.150 1.00 0.00 N ATOM 452 CA LEU A 32 6.071 12.202 2.787 1.00 0.00 C ATOM 453 C LEU A 32 5.739 13.593 3.315 1.00 0.00 C ATOM 454 O LEU A 32 5.241 14.446 2.580 1.00 0.00 O ATOM 455 CB LEU A 32 5.069 11.184 3.334 1.00 0.00 C ATOM 456 CG LEU A 32 4.886 9.909 2.508 1.00 0.00 C ATOM 457 CD1 LEU A 32 3.752 9.067 3.070 1.00 0.00 C ATOM 458 CD2 LEU A 32 4.626 10.254 1.048 1.00 0.00 C ATOM 0 H LEU A 32 7.489 11.027 3.791 1.00 0.00 H new ATOM 0 HA LEU A 32 6.003 12.221 1.699 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.382 10.900 4.339 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.100 11.673 3.429 1.00 0.00 H new ATOM 0 HG LEU A 32 5.805 9.326 2.565 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.637 8.165 2.470 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.979 8.791 4.100 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.826 9.641 3.044 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.498 9.336 0.474 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.722 10.858 0.972 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.472 10.815 0.651 1.00 0.00 H new ATOM 470 N LYS A 33 6.019 13.818 4.595 1.00 0.00 N ATOM 471 CA LYS A 33 5.754 15.106 5.222 1.00 0.00 C ATOM 472 C LYS A 33 6.175 16.253 4.309 1.00 0.00 C ATOM 473 O LYS A 33 5.509 17.287 4.246 1.00 0.00 O ATOM 474 CB LYS A 33 6.491 15.208 6.559 1.00 0.00 C ATOM 475 CG LYS A 33 7.999 15.313 6.414 1.00 0.00 C ATOM 476 CD LYS A 33 8.686 15.371 7.768 1.00 0.00 C ATOM 477 CE LYS A 33 8.770 16.797 8.290 1.00 0.00 C ATOM 478 NZ LYS A 33 7.479 17.250 8.878 1.00 0.00 N ATOM 0 H LYS A 33 6.430 13.123 5.218 1.00 0.00 H new ATOM 0 HA LYS A 33 4.681 15.181 5.399 1.00 0.00 H new ATOM 0 HB2 LYS A 33 6.125 16.080 7.101 1.00 0.00 H new ATOM 0 HB3 LYS A 33 6.252 14.333 7.164 1.00 0.00 H new ATOM 0 HG2 LYS A 33 8.372 14.457 5.852 1.00 0.00 H new ATOM 0 HG3 LYS A 33 8.249 16.205 5.839 1.00 0.00 H new ATOM 0 HD2 LYS A 33 8.140 14.753 8.481 1.00 0.00 H new ATOM 0 HD3 LYS A 33 9.689 14.953 7.686 1.00 0.00 H new ATOM 0 HE2 LYS A 33 9.555 16.862 9.044 1.00 0.00 H new ATOM 0 HE3 LYS A 33 9.053 17.465 7.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 7.665 17.941 9.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 6.897 17.693 8.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 6.972 16.433 9.274 1.00 0.00 H new ATOM 492 N SER A 34 7.284 16.062 3.601 1.00 0.00 N ATOM 493 CA SER A 34 7.796 17.083 2.693 1.00 0.00 C ATOM 494 C SER A 34 7.029 17.069 1.373 1.00 0.00 C ATOM 495 O SER A 34 6.846 18.107 0.738 1.00 0.00 O ATOM 496 CB SER A 34 9.286 16.861 2.431 1.00 0.00 C ATOM 497 OG SER A 34 9.853 17.965 1.747 1.00 0.00 O ATOM 0 H SER A 34 7.845 15.211 3.638 1.00 0.00 H new ATOM 0 HA SER A 34 7.658 18.056 3.164 1.00 0.00 H new ATOM 0 HB2 SER A 34 9.806 16.709 3.377 1.00 0.00 H new ATOM 0 HB3 SER A 34 9.424 15.954 1.842 1.00 0.00 H new ATOM 0 HG SER A 34 10.807 17.800 1.593 1.00 0.00 H new ATOM 503 N HIS A 35 6.584 15.883 0.968 1.00 0.00 N ATOM 504 CA HIS A 35 5.836 15.733 -0.276 1.00 0.00 C ATOM 505 C HIS A 35 4.531 16.521 -0.224 1.00 0.00 C ATOM 506 O HIS A 35 4.251 17.213 0.754 1.00 0.00 O ATOM 507 CB HIS A 35 5.543 14.256 -0.543 1.00 0.00 C ATOM 508 CG HIS A 35 6.594 13.578 -1.368 1.00 0.00 C ATOM 509 ND1 HIS A 35 6.671 13.702 -2.739 1.00 0.00 N ATOM 510 CD2 HIS A 35 7.615 12.765 -1.007 1.00 0.00 C ATOM 511 CE1 HIS A 35 7.693 12.994 -3.186 1.00 0.00 C ATOM 512 NE2 HIS A 35 8.282 12.416 -2.155 1.00 0.00 N ATOM 0 H HIS A 35 6.728 15.014 1.482 1.00 0.00 H new ATOM 0 HA HIS A 35 6.446 16.128 -1.088 1.00 0.00 H new ATOM 0 HB2 HIS A 35 5.448 13.735 0.410 1.00 0.00 H new ATOM 0 HB3 HIS A 35 4.582 14.170 -1.051 1.00 0.00 H new ATOM 0 HD2 HIS A 35 7.859 12.450 -0.003 1.00 0.00 H new ATOM 0 HE1 HIS A 35 7.995 12.903 -4.219 1.00 0.00 H new ATOM 0 HE2 HIS A 35 9.100 11.809 -2.204 1.00 0.00 H new ATOM 521 N ALA A 36 3.737 16.411 -1.284 1.00 0.00 N ATOM 522 CA ALA A 36 2.460 17.112 -1.357 1.00 0.00 C ATOM 523 C ALA A 36 1.349 16.300 -0.702 1.00 0.00 C ATOM 524 O ALA A 36 1.599 15.247 -0.117 1.00 0.00 O ATOM 525 CB ALA A 36 2.110 17.418 -2.807 1.00 0.00 C ATOM 0 H ALA A 36 3.955 15.844 -2.103 1.00 0.00 H new ATOM 0 HA ALA A 36 2.556 18.051 -0.811 1.00 0.00 H new ATOM 0 HB1 ALA A 36 1.155 17.941 -2.848 1.00 0.00 H new ATOM 0 HB2 ALA A 36 2.887 18.046 -3.244 1.00 0.00 H new ATOM 0 HB3 ALA A 36 2.038 16.486 -3.368 1.00 0.00 H new ATOM 531 N SER A 37 0.120 16.798 -0.804 1.00 0.00 N ATOM 532 CA SER A 37 -1.030 16.120 -0.216 1.00 0.00 C ATOM 533 C SER A 37 -1.611 15.097 -1.186 1.00 0.00 C ATOM 534 O SER A 37 -2.777 14.721 -1.085 1.00 0.00 O ATOM 535 CB SER A 37 -2.104 17.138 0.173 1.00 0.00 C ATOM 536 OG SER A 37 -1.542 18.223 0.891 1.00 0.00 O ATOM 0 H SER A 37 -0.105 17.667 -1.288 1.00 0.00 H new ATOM 0 HA SER A 37 -0.694 15.596 0.679 1.00 0.00 H new ATOM 0 HB2 SER A 37 -2.600 17.509 -0.724 1.00 0.00 H new ATOM 0 HB3 SER A 37 -2.867 16.652 0.781 1.00 0.00 H new ATOM 0 HG SER A 37 -2.248 18.860 1.126 1.00 0.00 H new ATOM 542 N GLY A 38 -0.786 14.648 -2.128 1.00 0.00 N ATOM 543 CA GLY A 38 -1.234 13.673 -3.105 1.00 0.00 C ATOM 544 C GLY A 38 -0.255 12.528 -3.272 1.00 0.00 C ATOM 545 O GLY A 38 -0.518 11.579 -4.013 1.00 0.00 O ATOM 0 H GLY A 38 0.185 14.943 -2.231 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -2.203 13.277 -2.801 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -1.379 14.166 -4.066 1.00 0.00 H new ATOM 549 N THR A 39 0.880 12.616 -2.585 1.00 0.00 N ATOM 550 CA THR A 39 1.903 11.582 -2.664 1.00 0.00 C ATOM 551 C THR A 39 1.460 10.314 -1.943 1.00 0.00 C ATOM 552 O THR A 39 1.073 10.355 -0.776 1.00 0.00 O ATOM 553 CB THR A 39 3.235 12.063 -2.060 1.00 0.00 C ATOM 554 OG1 THR A 39 3.794 13.104 -2.869 1.00 0.00 O ATOM 555 CG2 THR A 39 4.226 10.914 -1.949 1.00 0.00 C ATOM 0 H THR A 39 1.113 13.394 -1.967 1.00 0.00 H new ATOM 0 HA THR A 39 2.050 11.363 -3.722 1.00 0.00 H new ATOM 0 HB THR A 39 3.035 12.448 -1.060 1.00 0.00 H new ATOM 0 HG1 THR A 39 4.772 13.065 -2.823 1.00 0.00 H new ATOM 0 HG21 THR A 39 5.159 11.279 -1.520 1.00 0.00 H new ATOM 0 HG22 THR A 39 3.811 10.136 -1.308 1.00 0.00 H new ATOM 0 HG23 THR A 39 4.419 10.503 -2.940 1.00 0.00 H new ATOM 563 N TYR A 40 1.519 9.188 -2.647 1.00 0.00 N ATOM 564 CA TYR A 40 1.122 7.908 -2.074 1.00 0.00 C ATOM 565 C TYR A 40 2.212 6.860 -2.275 1.00 0.00 C ATOM 566 O TYR A 40 3.151 7.063 -3.044 1.00 0.00 O ATOM 567 CB TYR A 40 -0.187 7.427 -2.705 1.00 0.00 C ATOM 568 CG TYR A 40 -0.008 6.819 -4.077 1.00 0.00 C ATOM 569 CD1 TYR A 40 0.203 7.620 -5.192 1.00 0.00 C ATOM 570 CD2 TYR A 40 -0.051 5.441 -4.259 1.00 0.00 C ATOM 571 CE1 TYR A 40 0.365 7.068 -6.448 1.00 0.00 C ATOM 572 CE2 TYR A 40 0.112 4.881 -5.512 1.00 0.00 C ATOM 573 CZ TYR A 40 0.320 5.699 -6.603 1.00 0.00 C ATOM 574 OH TYR A 40 0.482 5.145 -7.852 1.00 0.00 O ATOM 0 H TYR A 40 1.838 9.137 -3.615 1.00 0.00 H new ATOM 0 HA TYR A 40 0.971 8.049 -1.004 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -0.649 6.690 -2.047 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -0.877 8.268 -2.776 1.00 0.00 H new ATOM 0 HD1 TYR A 40 0.241 8.693 -5.075 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -0.214 4.798 -3.407 1.00 0.00 H new ATOM 0 HE1 TYR A 40 0.526 7.706 -7.304 1.00 0.00 H new ATOM 0 HE2 TYR A 40 0.077 3.809 -5.636 1.00 0.00 H new ATOM 0 HH TYR A 40 1.144 4.424 -7.807 1.00 0.00 H new ATOM 584 N LEU A 41 2.079 5.737 -1.576 1.00 0.00 N ATOM 585 CA LEU A 41 3.052 4.654 -1.677 1.00 0.00 C ATOM 586 C LEU A 41 2.539 3.395 -0.986 1.00 0.00 C ATOM 587 O LEU A 41 1.573 3.445 -0.223 1.00 0.00 O ATOM 588 CB LEU A 41 4.385 5.081 -1.061 1.00 0.00 C ATOM 589 CG LEU A 41 4.437 5.118 0.466 1.00 0.00 C ATOM 590 CD1 LEU A 41 4.857 3.765 1.019 1.00 0.00 C ATOM 591 CD2 LEU A 41 5.386 6.208 0.942 1.00 0.00 C ATOM 0 H LEU A 41 1.308 5.553 -0.934 1.00 0.00 H new ATOM 0 HA LEU A 41 3.202 4.431 -2.733 1.00 0.00 H new ATOM 0 HB2 LEU A 41 5.160 4.401 -1.415 1.00 0.00 H new ATOM 0 HB3 LEU A 41 4.635 6.073 -1.437 1.00 0.00 H new ATOM 0 HG LEU A 41 3.438 5.346 0.838 1.00 0.00 H new ATOM 0 HD11 LEU A 41 4.888 3.811 2.108 1.00 0.00 H new ATOM 0 HD12 LEU A 41 4.139 3.006 0.708 1.00 0.00 H new ATOM 0 HD13 LEU A 41 5.845 3.507 0.638 1.00 0.00 H new ATOM 0 HD21 LEU A 41 5.410 6.219 2.032 1.00 0.00 H new ATOM 0 HD22 LEU A 41 6.387 6.011 0.559 1.00 0.00 H new ATOM 0 HD23 LEU A 41 5.041 7.175 0.577 1.00 0.00 H new ATOM 603 N ILE A 42 3.192 2.271 -1.256 1.00 0.00 N ATOM 604 CA ILE A 42 2.804 0.999 -0.657 1.00 0.00 C ATOM 605 C ILE A 42 4.016 0.260 -0.103 1.00 0.00 C ATOM 606 O ILE A 42 4.921 -0.116 -0.848 1.00 0.00 O ATOM 607 CB ILE A 42 2.084 0.094 -1.674 1.00 0.00 C ATOM 608 CG1 ILE A 42 0.656 0.590 -1.911 1.00 0.00 C ATOM 609 CG2 ILE A 42 2.076 -1.348 -1.187 1.00 0.00 C ATOM 610 CD1 ILE A 42 0.543 1.588 -3.043 1.00 0.00 C ATOM 0 H ILE A 42 3.992 2.214 -1.886 1.00 0.00 H new ATOM 0 HA ILE A 42 2.119 1.230 0.159 1.00 0.00 H new ATOM 0 HB ILE A 42 2.624 0.135 -2.620 1.00 0.00 H new ATOM 0 HG12 ILE A 42 0.014 -0.264 -2.125 1.00 0.00 H new ATOM 0 HG13 ILE A 42 0.282 1.048 -0.995 1.00 0.00 H new ATOM 0 HG21 ILE A 42 1.564 -1.976 -1.916 1.00 0.00 H new ATOM 0 HG22 ILE A 42 3.102 -1.697 -1.065 1.00 0.00 H new ATOM 0 HG23 ILE A 42 1.557 -1.406 -0.230 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -0.497 1.896 -3.154 1.00 0.00 H new ATOM 0 HD12 ILE A 42 1.158 2.460 -2.822 1.00 0.00 H new ATOM 0 HD13 ILE A 42 0.886 1.128 -3.970 1.00 0.00 H new ATOM 622 N ARG A 43 4.027 0.052 1.210 1.00 0.00 N ATOM 623 CA ARG A 43 5.128 -0.644 1.864 1.00 0.00 C ATOM 624 C ARG A 43 4.738 -2.079 2.207 1.00 0.00 C ATOM 625 O ARG A 43 3.560 -2.432 2.191 1.00 0.00 O ATOM 626 CB ARG A 43 5.547 0.099 3.135 1.00 0.00 C ATOM 627 CG ARG A 43 5.330 1.602 3.060 1.00 0.00 C ATOM 628 CD ARG A 43 5.745 2.289 4.352 1.00 0.00 C ATOM 629 NE ARG A 43 5.272 1.570 5.532 1.00 0.00 N ATOM 630 CZ ARG A 43 3.992 1.489 5.879 1.00 0.00 C ATOM 631 NH1 ARG A 43 3.064 2.080 5.140 1.00 0.00 N ATOM 632 NH2 ARG A 43 3.640 0.816 6.967 1.00 0.00 N ATOM 0 H ARG A 43 3.286 0.356 1.841 1.00 0.00 H new ATOM 0 HA ARG A 43 5.970 -0.670 1.172 1.00 0.00 H new ATOM 0 HB2 ARG A 43 4.986 -0.299 3.980 1.00 0.00 H new ATOM 0 HB3 ARG A 43 6.601 -0.098 3.331 1.00 0.00 H new ATOM 0 HG2 ARG A 43 5.902 2.012 2.228 1.00 0.00 H new ATOM 0 HG3 ARG A 43 4.279 1.810 2.857 1.00 0.00 H new ATOM 0 HD2 ARG A 43 6.832 2.368 4.387 1.00 0.00 H new ATOM 0 HD3 ARG A 43 5.351 3.305 4.365 1.00 0.00 H new ATOM 0 HE ARG A 43 5.962 1.105 6.122 1.00 0.00 H new ATOM 0 HH11 ARG A 43 3.332 2.598 4.303 1.00 0.00 H new ATOM 0 HH12 ARG A 43 2.082 2.017 5.408 1.00 0.00 H new ATOM 0 HH21 ARG A 43 4.352 0.360 7.538 1.00 0.00 H new ATOM 0 HH22 ARG A 43 2.657 0.754 7.233 1.00 0.00 H new ATOM 646 N GLU A 44 5.736 -2.901 2.515 1.00 0.00 N ATOM 647 CA GLU A 44 5.497 -4.297 2.859 1.00 0.00 C ATOM 648 C GLU A 44 6.196 -4.664 4.166 1.00 0.00 C ATOM 649 O GLU A 44 7.418 -4.560 4.278 1.00 0.00 O ATOM 650 CB GLU A 44 5.980 -5.214 1.735 1.00 0.00 C ATOM 651 CG GLU A 44 6.185 -6.656 2.169 1.00 0.00 C ATOM 652 CD GLU A 44 6.398 -7.593 0.997 1.00 0.00 C ATOM 653 OE1 GLU A 44 5.396 -8.102 0.452 1.00 0.00 O ATOM 654 OE2 GLU A 44 7.569 -7.818 0.623 1.00 0.00 O ATOM 0 H GLU A 44 6.718 -2.624 2.533 1.00 0.00 H new ATOM 0 HA GLU A 44 4.423 -4.432 2.991 1.00 0.00 H new ATOM 0 HB2 GLU A 44 5.256 -5.188 0.921 1.00 0.00 H new ATOM 0 HB3 GLU A 44 6.919 -4.826 1.339 1.00 0.00 H new ATOM 0 HG2 GLU A 44 7.046 -6.712 2.835 1.00 0.00 H new ATOM 0 HG3 GLU A 44 5.318 -6.986 2.740 1.00 0.00 H new ATOM 749 N ARG A 51 1.111 -8.300 5.153 1.00 0.00 N ATOM 750 CA ARG A 51 2.379 -8.201 4.440 1.00 0.00 C ATOM 751 C ARG A 51 2.344 -7.063 3.424 1.00 0.00 C ATOM 752 O ARG A 51 3.049 -7.097 2.415 1.00 0.00 O ATOM 753 CB ARG A 51 2.696 -9.520 3.735 1.00 0.00 C ATOM 754 CG ARG A 51 4.186 -9.797 3.602 1.00 0.00 C ATOM 755 CD ARG A 51 4.447 -11.202 3.084 1.00 0.00 C ATOM 756 NE ARG A 51 4.169 -11.321 1.655 1.00 0.00 N ATOM 757 CZ ARG A 51 4.121 -12.480 1.010 1.00 0.00 C ATOM 758 NH1 ARG A 51 4.331 -13.616 1.662 1.00 0.00 N ATOM 759 NH2 ARG A 51 3.862 -12.506 -0.292 1.00 0.00 N ATOM 0 HA ARG A 51 3.162 -7.990 5.169 1.00 0.00 H new ATOM 0 HB2 ARG A 51 2.231 -10.338 4.286 1.00 0.00 H new ATOM 0 HB3 ARG A 51 2.247 -9.508 2.742 1.00 0.00 H new ATOM 0 HG2 ARG A 51 4.633 -9.069 2.925 1.00 0.00 H new ATOM 0 HG3 ARG A 51 4.669 -9.670 4.571 1.00 0.00 H new ATOM 0 HD2 ARG A 51 5.486 -11.471 3.274 1.00 0.00 H new ATOM 0 HD3 ARG A 51 3.828 -11.911 3.634 1.00 0.00 H new ATOM 0 HE ARG A 51 4.003 -10.466 1.124 1.00 0.00 H new ATOM 0 HH11 ARG A 51 4.530 -13.601 2.662 1.00 0.00 H new ATOM 0 HH12 ARG A 51 4.293 -14.505 1.163 1.00 0.00 H new ATOM 0 HH21 ARG A 51 3.700 -11.635 -0.797 1.00 0.00 H new ATOM 0 HH22 ARG A 51 3.825 -13.397 -0.787 1.00 0.00 H new ATOM 773 N PHE A 52 1.519 -6.058 3.697 1.00 0.00 N ATOM 774 CA PHE A 52 1.391 -4.911 2.805 1.00 0.00 C ATOM 775 C PHE A 52 0.856 -3.695 3.557 1.00 0.00 C ATOM 776 O PHE A 52 0.153 -3.831 4.557 1.00 0.00 O ATOM 777 CB PHE A 52 0.465 -5.248 1.635 1.00 0.00 C ATOM 778 CG PHE A 52 1.177 -5.875 0.469 1.00 0.00 C ATOM 779 CD1 PHE A 52 2.308 -5.282 -0.068 1.00 0.00 C ATOM 780 CD2 PHE A 52 0.715 -7.056 -0.089 1.00 0.00 C ATOM 781 CE1 PHE A 52 2.965 -5.855 -1.141 1.00 0.00 C ATOM 782 CE2 PHE A 52 1.368 -7.634 -1.161 1.00 0.00 C ATOM 783 CZ PHE A 52 2.494 -7.032 -1.688 1.00 0.00 C ATOM 0 H PHE A 52 0.929 -6.014 4.528 1.00 0.00 H new ATOM 0 HA PHE A 52 2.381 -4.671 2.418 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.314 -5.926 1.982 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.031 -4.337 1.300 1.00 0.00 H new ATOM 0 HD1 PHE A 52 2.681 -4.362 0.356 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -0.166 -7.530 0.318 1.00 0.00 H new ATOM 0 HE1 PHE A 52 3.846 -5.383 -1.551 1.00 0.00 H new ATOM 0 HE2 PHE A 52 0.998 -8.555 -1.586 1.00 0.00 H new ATOM 0 HZ PHE A 52 3.005 -7.481 -2.527 1.00 0.00 H new ATOM 793 N ALA A 53 1.195 -2.507 3.067 1.00 0.00 N ATOM 794 CA ALA A 53 0.749 -1.268 3.689 1.00 0.00 C ATOM 795 C ALA A 53 0.603 -0.156 2.657 1.00 0.00 C ATOM 796 O ALA A 53 1.232 -0.193 1.598 1.00 0.00 O ATOM 797 CB ALA A 53 1.718 -0.850 4.786 1.00 0.00 C ATOM 0 H ALA A 53 1.778 -2.377 2.240 1.00 0.00 H new ATOM 0 HA ALA A 53 -0.231 -1.445 4.133 1.00 0.00 H new ATOM 0 HB1 ALA A 53 1.373 0.078 5.243 1.00 0.00 H new ATOM 0 HB2 ALA A 53 1.768 -1.631 5.545 1.00 0.00 H new ATOM 0 HB3 ALA A 53 2.708 -0.697 4.358 1.00 0.00 H new ATOM 803 N ILE A 54 -0.227 0.832 2.971 1.00 0.00 N ATOM 804 CA ILE A 54 -0.453 1.955 2.070 1.00 0.00 C ATOM 805 C ILE A 54 -0.390 3.283 2.818 1.00 0.00 C ATOM 806 O ILE A 54 -1.251 3.581 3.646 1.00 0.00 O ATOM 807 CB ILE A 54 -1.817 1.843 1.361 1.00 0.00 C ATOM 808 CG1 ILE A 54 -1.950 0.480 0.679 1.00 0.00 C ATOM 809 CG2 ILE A 54 -1.982 2.966 0.349 1.00 0.00 C ATOM 810 CD1 ILE A 54 -3.384 0.032 0.500 1.00 0.00 C ATOM 0 H ILE A 54 -0.754 0.878 3.843 1.00 0.00 H new ATOM 0 HA ILE A 54 0.340 1.924 1.323 1.00 0.00 H new ATOM 0 HB ILE A 54 -2.607 1.934 2.107 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -1.466 0.522 -0.297 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -1.416 -0.266 1.268 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -2.950 2.873 -0.143 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -1.926 3.927 0.860 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -1.189 2.904 -0.396 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -3.403 -0.942 0.010 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -3.866 -0.043 1.475 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -3.918 0.757 -0.114 1.00 0.00 H new ATOM 822 N SER A 55 0.633 4.076 2.519 1.00 0.00 N ATOM 823 CA SER A 55 0.810 5.371 3.165 1.00 0.00 C ATOM 824 C SER A 55 0.668 6.506 2.156 1.00 0.00 C ATOM 825 O SER A 55 1.437 6.600 1.199 1.00 0.00 O ATOM 826 CB SER A 55 2.181 5.444 3.842 1.00 0.00 C ATOM 827 OG SER A 55 2.253 6.548 4.728 1.00 0.00 O ATOM 0 H SER A 55 1.352 3.845 1.834 1.00 0.00 H new ATOM 0 HA SER A 55 0.033 5.481 3.921 1.00 0.00 H new ATOM 0 HB2 SER A 55 2.369 4.521 4.390 1.00 0.00 H new ATOM 0 HB3 SER A 55 2.960 5.530 3.085 1.00 0.00 H new ATOM 0 HG SER A 55 1.375 6.698 5.136 1.00 0.00 H new ATOM 833 N ILE A 56 -0.322 7.365 2.376 1.00 0.00 N ATOM 834 CA ILE A 56 -0.565 8.494 1.487 1.00 0.00 C ATOM 835 C ILE A 56 -0.664 9.799 2.270 1.00 0.00 C ATOM 836 O ILE A 56 -1.327 9.866 3.304 1.00 0.00 O ATOM 837 CB ILE A 56 -1.856 8.299 0.670 1.00 0.00 C ATOM 838 CG1 ILE A 56 -2.103 6.811 0.412 1.00 0.00 C ATOM 839 CG2 ILE A 56 -1.774 9.063 -0.642 1.00 0.00 C ATOM 840 CD1 ILE A 56 -2.686 6.080 1.601 1.00 0.00 C ATOM 0 H ILE A 56 -0.969 7.300 3.162 1.00 0.00 H new ATOM 0 HA ILE A 56 0.283 8.547 0.804 1.00 0.00 H new ATOM 0 HB ILE A 56 -2.694 8.693 1.245 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -2.779 6.705 -0.436 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.162 6.338 0.131 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -2.694 8.915 -1.207 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.641 10.125 -0.437 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.928 8.697 -1.224 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -2.835 5.031 1.346 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.001 6.155 2.446 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -3.643 6.527 1.869 1.00 0.00 H new ATOM 852 N LYS A 57 -0.001 10.835 1.768 1.00 0.00 N ATOM 853 CA LYS A 57 -0.015 12.140 2.416 1.00 0.00 C ATOM 854 C LYS A 57 -1.294 12.901 2.081 1.00 0.00 C ATOM 855 O LYS A 57 -1.566 13.196 0.917 1.00 0.00 O ATOM 856 CB LYS A 57 1.205 12.959 1.988 1.00 0.00 C ATOM 857 CG LYS A 57 1.313 14.301 2.690 1.00 0.00 C ATOM 858 CD LYS A 57 1.651 14.137 4.161 1.00 0.00 C ATOM 859 CE LYS A 57 1.334 15.397 4.952 1.00 0.00 C ATOM 860 NZ LYS A 57 2.392 16.432 4.793 1.00 0.00 N ATOM 0 H LYS A 57 0.554 10.795 0.913 1.00 0.00 H new ATOM 0 HA LYS A 57 0.021 11.982 3.494 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.108 12.381 2.186 1.00 0.00 H new ATOM 0 HB3 LYS A 57 1.162 13.124 0.911 1.00 0.00 H new ATOM 0 HG2 LYS A 57 2.080 14.905 2.205 1.00 0.00 H new ATOM 0 HG3 LYS A 57 0.371 14.841 2.590 1.00 0.00 H new ATOM 0 HD2 LYS A 57 1.090 13.298 4.572 1.00 0.00 H new ATOM 0 HD3 LYS A 57 2.709 13.896 4.267 1.00 0.00 H new ATOM 0 HE2 LYS A 57 0.377 15.802 4.622 1.00 0.00 H new ATOM 0 HE3 LYS A 57 1.227 15.146 6.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 2.801 16.656 5.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 3.138 16.072 4.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 1.977 17.292 4.381 1.00 0.00 H new ATOM 874 N PHE A 58 -2.077 13.216 3.108 1.00 0.00 N ATOM 875 CA PHE A 58 -3.327 13.943 2.922 1.00 0.00 C ATOM 876 C PHE A 58 -3.761 14.619 4.219 1.00 0.00 C ATOM 877 O PHE A 58 -3.742 14.007 5.287 1.00 0.00 O ATOM 878 CB PHE A 58 -4.424 12.995 2.436 1.00 0.00 C ATOM 879 CG PHE A 58 -5.780 13.637 2.356 1.00 0.00 C ATOM 880 CD1 PHE A 58 -6.179 14.306 1.211 1.00 0.00 C ATOM 881 CD2 PHE A 58 -6.656 13.572 3.429 1.00 0.00 C ATOM 882 CE1 PHE A 58 -7.425 14.899 1.135 1.00 0.00 C ATOM 883 CE2 PHE A 58 -7.904 14.162 3.359 1.00 0.00 C ATOM 884 CZ PHE A 58 -8.288 14.827 2.211 1.00 0.00 C ATOM 0 H PHE A 58 -1.868 12.979 4.078 1.00 0.00 H new ATOM 0 HA PHE A 58 -3.162 14.714 2.169 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -4.153 12.613 1.452 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -4.476 12.138 3.107 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -5.508 14.365 0.367 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -6.360 13.055 4.330 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -7.723 15.418 0.236 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -8.578 14.103 4.201 1.00 0.00 H new ATOM 0 HZ PHE A 58 -9.262 15.290 2.155 1.00 0.00 H new ATOM 894 N ASN A 59 -4.152 15.885 4.118 1.00 0.00 N ATOM 895 CA ASN A 59 -4.591 16.645 5.283 1.00 0.00 C ATOM 896 C ASN A 59 -3.406 17.009 6.171 1.00 0.00 C ATOM 897 O ASN A 59 -3.550 17.159 7.385 1.00 0.00 O ATOM 898 CB ASN A 59 -5.617 15.843 6.085 1.00 0.00 C ATOM 899 CG ASN A 59 -6.609 16.732 6.809 1.00 0.00 C ATOM 900 OD1 ASN A 59 -6.379 17.140 7.947 1.00 0.00 O ATOM 901 ND2 ASN A 59 -7.722 17.036 6.149 1.00 0.00 N ATOM 0 H ASN A 59 -4.174 16.406 3.242 1.00 0.00 H new ATOM 0 HA ASN A 59 -5.056 17.566 4.931 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -6.156 15.174 5.414 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -5.098 15.217 6.811 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -8.427 17.630 6.585 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -7.871 16.675 5.207 1.00 0.00 H new ATOM 908 N ASP A 60 -2.236 17.153 5.559 1.00 0.00 N ATOM 909 CA ASP A 60 -1.026 17.502 6.294 1.00 0.00 C ATOM 910 C ASP A 60 -0.714 16.454 7.358 1.00 0.00 C ATOM 911 O ASP A 60 -0.182 16.774 8.420 1.00 0.00 O ATOM 912 CB ASP A 60 -1.177 18.878 6.945 1.00 0.00 C ATOM 913 CG ASP A 60 -1.566 19.950 5.946 1.00 0.00 C ATOM 914 OD1 ASP A 60 -0.823 20.140 4.960 1.00 0.00 O ATOM 915 OD2 ASP A 60 -2.613 20.600 6.151 1.00 0.00 O ATOM 0 H ASP A 60 -2.100 17.033 4.555 1.00 0.00 H new ATOM 0 HA ASP A 60 -0.198 17.533 5.586 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -1.932 18.825 7.729 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -0.238 19.155 7.424 1.00 0.00 H new ATOM 920 N GLU A 61 -1.053 15.202 7.065 1.00 0.00 N ATOM 921 CA GLU A 61 -0.811 14.107 7.999 1.00 0.00 C ATOM 922 C GLU A 61 -0.612 12.791 7.253 1.00 0.00 C ATOM 923 O GLU A 61 -1.470 12.366 6.481 1.00 0.00 O ATOM 924 CB GLU A 61 -1.976 13.979 8.981 1.00 0.00 C ATOM 925 CG GLU A 61 -2.121 15.170 9.913 1.00 0.00 C ATOM 926 CD GLU A 61 -3.397 15.119 10.731 1.00 0.00 C ATOM 927 OE1 GLU A 61 -4.489 15.224 10.135 1.00 0.00 O ATOM 928 OE2 GLU A 61 -3.302 14.974 11.968 1.00 0.00 O ATOM 0 H GLU A 61 -1.495 14.921 6.190 1.00 0.00 H new ATOM 0 HA GLU A 61 0.100 14.331 8.555 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -2.902 13.854 8.419 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -1.840 13.077 9.577 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -1.264 15.207 10.586 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -2.106 16.089 9.327 1.00 0.00 H new ATOM 935 N VAL A 62 0.529 12.150 7.491 1.00 0.00 N ATOM 936 CA VAL A 62 0.841 10.882 6.844 1.00 0.00 C ATOM 937 C VAL A 62 0.040 9.739 7.457 1.00 0.00 C ATOM 938 O VAL A 62 0.293 9.324 8.588 1.00 0.00 O ATOM 939 CB VAL A 62 2.343 10.554 6.948 1.00 0.00 C ATOM 940 CG1 VAL A 62 2.624 9.159 6.411 1.00 0.00 C ATOM 941 CG2 VAL A 62 3.168 11.596 6.207 1.00 0.00 C ATOM 0 H VAL A 62 1.251 12.489 8.127 1.00 0.00 H new ATOM 0 HA VAL A 62 0.571 10.988 5.793 1.00 0.00 H new ATOM 0 HB VAL A 62 2.630 10.577 7.999 1.00 0.00 H new ATOM 0 HG11 VAL A 62 3.690 8.945 6.493 1.00 0.00 H new ATOM 0 HG12 VAL A 62 2.062 8.426 6.990 1.00 0.00 H new ATOM 0 HG13 VAL A 62 2.322 9.104 5.365 1.00 0.00 H new ATOM 0 HG21 VAL A 62 4.226 11.349 6.291 1.00 0.00 H new ATOM 0 HG22 VAL A 62 2.880 11.608 5.156 1.00 0.00 H new ATOM 0 HG23 VAL A 62 2.989 12.579 6.643 1.00 0.00 H new ATOM 951 N LYS A 63 -0.931 9.233 6.703 1.00 0.00 N ATOM 952 CA LYS A 63 -1.770 8.137 7.169 1.00 0.00 C ATOM 953 C LYS A 63 -1.185 6.790 6.759 1.00 0.00 C ATOM 954 O LYS A 63 -0.605 6.656 5.680 1.00 0.00 O ATOM 955 CB LYS A 63 -3.188 8.280 6.612 1.00 0.00 C ATOM 956 CG LYS A 63 -3.797 9.652 6.842 1.00 0.00 C ATOM 957 CD LYS A 63 -4.010 9.926 8.322 1.00 0.00 C ATOM 958 CE LYS A 63 -5.186 10.862 8.551 1.00 0.00 C ATOM 959 NZ LYS A 63 -5.775 10.691 9.908 1.00 0.00 N ATOM 0 H LYS A 63 -1.156 9.566 5.765 1.00 0.00 H new ATOM 0 HA LYS A 63 -1.808 8.180 8.258 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -3.171 8.074 5.542 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -3.827 7.526 7.072 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -3.145 10.416 6.420 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -4.750 9.721 6.317 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -4.184 8.986 8.846 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -3.107 10.364 8.746 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -4.859 11.894 8.425 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -5.951 10.676 7.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -6.574 11.347 10.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -6.111 9.713 10.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -5.053 10.894 10.628 1.00 0.00 H new ATOM 973 N HIS A 64 -1.340 5.793 7.624 1.00 0.00 N ATOM 974 CA HIS A 64 -0.828 4.455 7.350 1.00 0.00 C ATOM 975 C HIS A 64 -1.962 3.435 7.322 1.00 0.00 C ATOM 976 O HIS A 64 -2.622 3.199 8.334 1.00 0.00 O ATOM 977 CB HIS A 64 0.207 4.057 8.402 1.00 0.00 C ATOM 978 CG HIS A 64 1.491 4.823 8.300 1.00 0.00 C ATOM 979 ND1 HIS A 64 2.444 4.570 7.336 1.00 0.00 N ATOM 980 CD2 HIS A 64 1.975 5.842 9.047 1.00 0.00 C ATOM 981 CE1 HIS A 64 3.459 5.399 7.496 1.00 0.00 C ATOM 982 NE2 HIS A 64 3.199 6.183 8.528 1.00 0.00 N ATOM 0 H HIS A 64 -1.816 5.886 8.521 1.00 0.00 H new ATOM 0 HA HIS A 64 -0.351 4.468 6.370 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -0.219 4.208 9.394 1.00 0.00 H new ATOM 0 HB3 HIS A 64 0.420 2.992 8.305 1.00 0.00 H new ATOM 0 HD2 HIS A 64 1.488 6.302 9.894 1.00 0.00 H new ATOM 0 HE1 HIS A 64 4.350 5.431 6.887 1.00 0.00 H new ATOM 0 HE2 HIS A 64 3.808 6.921 8.881 1.00 0.00 H new ATOM 991 N ILE A 65 -2.182 2.832 6.158 1.00 0.00 N ATOM 992 CA ILE A 65 -3.235 1.838 6.000 1.00 0.00 C ATOM 993 C ILE A 65 -2.649 0.442 5.817 1.00 0.00 C ATOM 994 O ILE A 65 -2.101 0.118 4.763 1.00 0.00 O ATOM 995 CB ILE A 65 -4.142 2.163 4.798 1.00 0.00 C ATOM 996 CG1 ILE A 65 -4.811 3.524 4.991 1.00 0.00 C ATOM 997 CG2 ILE A 65 -5.186 1.073 4.613 1.00 0.00 C ATOM 998 CD1 ILE A 65 -5.353 4.119 3.710 1.00 0.00 C ATOM 0 H ILE A 65 -1.644 3.015 5.311 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.832 1.863 6.912 1.00 0.00 H new ATOM 0 HB ILE A 65 -3.528 2.206 3.898 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -5.626 3.421 5.707 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -4.090 4.216 5.426 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -5.819 1.317 3.760 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -4.689 0.119 4.435 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -5.799 1.000 5.511 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -5.813 5.084 3.923 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -4.538 4.255 2.999 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -6.098 3.448 3.284 1.00 0.00 H new ATOM 1010 N LYS A 66 -2.770 -0.385 6.852 1.00 0.00 N ATOM 1011 CA LYS A 66 -2.256 -1.749 6.805 1.00 0.00 C ATOM 1012 C LYS A 66 -3.160 -2.642 5.962 1.00 0.00 C ATOM 1013 O LYS A 66 -4.383 -2.603 6.091 1.00 0.00 O ATOM 1014 CB LYS A 66 -2.135 -2.318 8.221 1.00 0.00 C ATOM 1015 CG LYS A 66 -3.339 -2.025 9.099 1.00 0.00 C ATOM 1016 CD LYS A 66 -3.286 -2.812 10.398 1.00 0.00 C ATOM 1017 CE LYS A 66 -3.674 -4.267 10.183 1.00 0.00 C ATOM 1018 NZ LYS A 66 -4.301 -4.859 11.398 1.00 0.00 N ATOM 0 H LYS A 66 -3.219 -0.134 7.733 1.00 0.00 H new ATOM 0 HA LYS A 66 -1.269 -1.724 6.344 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -1.995 -3.397 8.159 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -1.243 -1.907 8.694 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -3.378 -0.958 9.320 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -4.253 -2.273 8.559 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -2.280 -2.760 10.816 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -3.958 -2.359 11.127 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -4.368 -4.338 9.345 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -2.789 -4.843 9.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -4.551 -5.851 11.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -3.630 -4.814 12.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -5.160 -4.325 11.640 1.00 0.00 H new ATOM 1032 N VAL A 67 -2.549 -3.450 5.101 1.00 0.00 N ATOM 1033 CA VAL A 67 -3.298 -4.356 4.239 1.00 0.00 C ATOM 1034 C VAL A 67 -3.475 -5.720 4.896 1.00 0.00 C ATOM 1035 O VAL A 67 -2.542 -6.260 5.492 1.00 0.00 O ATOM 1036 CB VAL A 67 -2.602 -4.540 2.878 1.00 0.00 C ATOM 1037 CG1 VAL A 67 -3.318 -5.597 2.049 1.00 0.00 C ATOM 1038 CG2 VAL A 67 -2.538 -3.217 2.129 1.00 0.00 C ATOM 0 H VAL A 67 -1.537 -3.495 4.982 1.00 0.00 H new ATOM 0 HA VAL A 67 -4.277 -3.904 4.080 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.582 -4.881 3.055 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -2.811 -5.713 1.091 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.306 -6.547 2.583 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -4.350 -5.289 1.879 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -2.043 -3.366 1.169 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -3.549 -2.844 1.962 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -1.977 -2.492 2.718 1.00 0.00 H new ATOM 1048 N VAL A 68 -4.678 -6.274 4.784 1.00 0.00 N ATOM 1049 CA VAL A 68 -4.977 -7.577 5.365 1.00 0.00 C ATOM 1050 C VAL A 68 -5.022 -8.661 4.294 1.00 0.00 C ATOM 1051 O VAL A 68 -5.602 -8.467 3.226 1.00 0.00 O ATOM 1052 CB VAL A 68 -6.320 -7.561 6.119 1.00 0.00 C ATOM 1053 CG1 VAL A 68 -6.653 -8.948 6.646 1.00 0.00 C ATOM 1054 CG2 VAL A 68 -6.282 -6.546 7.251 1.00 0.00 C ATOM 0 H VAL A 68 -5.462 -5.840 4.296 1.00 0.00 H new ATOM 0 HA VAL A 68 -4.175 -7.799 6.069 1.00 0.00 H new ATOM 0 HB VAL A 68 -7.105 -7.266 5.423 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -7.605 -8.917 7.176 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.724 -9.647 5.812 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -5.869 -9.276 7.328 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -7.239 -6.548 7.773 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -5.487 -6.809 7.949 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -6.093 -5.553 6.843 1.00 0.00 H new ATOM 1064 N GLU A 69 -4.404 -9.801 4.586 1.00 0.00 N ATOM 1065 CA GLU A 69 -4.373 -10.915 3.647 1.00 0.00 C ATOM 1066 C GLU A 69 -4.917 -12.187 4.293 1.00 0.00 C ATOM 1067 O GLU A 69 -4.229 -12.844 5.075 1.00 0.00 O ATOM 1068 CB GLU A 69 -2.945 -11.154 3.150 1.00 0.00 C ATOM 1069 CG GLU A 69 -2.541 -10.244 2.002 1.00 0.00 C ATOM 1070 CD GLU A 69 -1.040 -10.038 1.922 1.00 0.00 C ATOM 1071 OE1 GLU A 69 -0.460 -9.531 2.904 1.00 0.00 O ATOM 1072 OE2 GLU A 69 -0.449 -10.383 0.879 1.00 0.00 O ATOM 0 H GLU A 69 -3.918 -9.977 5.465 1.00 0.00 H new ATOM 0 HA GLU A 69 -5.007 -10.658 2.799 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -2.252 -11.010 3.979 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -2.849 -12.192 2.831 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -2.896 -10.670 1.063 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -3.031 -9.277 2.119 1.00 0.00 H new ATOM 1079 N LYS A 70 -6.158 -12.528 3.961 1.00 0.00 N ATOM 1080 CA LYS A 70 -6.796 -13.719 4.506 1.00 0.00 C ATOM 1081 C LYS A 70 -7.598 -14.447 3.432 1.00 0.00 C ATOM 1082 O LYS A 70 -8.112 -13.826 2.500 1.00 0.00 O ATOM 1083 CB LYS A 70 -7.712 -13.343 5.674 1.00 0.00 C ATOM 1084 CG LYS A 70 -8.449 -14.528 6.275 1.00 0.00 C ATOM 1085 CD LYS A 70 -9.477 -14.084 7.300 1.00 0.00 C ATOM 1086 CE LYS A 70 -10.741 -13.563 6.634 1.00 0.00 C ATOM 1087 NZ LYS A 70 -11.928 -13.680 7.525 1.00 0.00 N ATOM 0 H LYS A 70 -6.742 -11.995 3.316 1.00 0.00 H new ATOM 0 HA LYS A 70 -6.013 -14.387 4.866 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -7.117 -12.863 6.451 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -8.441 -12.608 5.331 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -8.943 -15.090 5.483 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -7.733 -15.202 6.745 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -9.727 -14.921 7.952 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -9.050 -13.305 7.931 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -10.599 -12.519 6.353 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -10.922 -14.119 5.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -12.768 -13.314 7.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -12.079 -14.679 7.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -11.767 -13.129 8.392 1.00 0.00 H new ATOM 1101 N ASP A 71 -7.703 -15.764 3.569 1.00 0.00 N ATOM 1102 CA ASP A 71 -8.445 -16.576 2.611 1.00 0.00 C ATOM 1103 C ASP A 71 -7.964 -16.311 1.187 1.00 0.00 C ATOM 1104 O ASP A 71 -8.769 -16.162 0.268 1.00 0.00 O ATOM 1105 CB ASP A 71 -9.943 -16.288 2.718 1.00 0.00 C ATOM 1106 CG ASP A 71 -10.525 -16.736 4.045 1.00 0.00 C ATOM 1107 OD1 ASP A 71 -9.980 -17.689 4.639 1.00 0.00 O ATOM 1108 OD2 ASP A 71 -11.525 -16.133 4.488 1.00 0.00 O ATOM 0 H ASP A 71 -7.284 -16.292 4.334 1.00 0.00 H new ATOM 0 HA ASP A 71 -8.267 -17.625 2.847 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -10.115 -15.219 2.592 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -10.466 -16.793 1.906 1.00 0.00 H new ATOM 1113 N ASN A 72 -6.648 -16.253 1.013 1.00 0.00 N ATOM 1114 CA ASN A 72 -6.060 -16.005 -0.298 1.00 0.00 C ATOM 1115 C ASN A 72 -6.649 -14.747 -0.928 1.00 0.00 C ATOM 1116 O ASN A 72 -6.885 -14.698 -2.136 1.00 0.00 O ATOM 1117 CB ASN A 72 -6.289 -17.206 -1.219 1.00 0.00 C ATOM 1118 CG ASN A 72 -5.494 -18.424 -0.790 1.00 0.00 C ATOM 1119 OD1 ASN A 72 -4.357 -18.306 -0.332 1.00 0.00 O ATOM 1120 ND2 ASN A 72 -6.089 -19.601 -0.938 1.00 0.00 N ATOM 0 H ASN A 72 -5.968 -16.374 1.764 1.00 0.00 H new ATOM 0 HA ASN A 72 -4.988 -15.857 -0.166 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -7.350 -17.454 -1.231 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -6.013 -16.936 -2.238 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -5.603 -20.456 -0.668 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -7.033 -19.651 -1.322 1.00 0.00 H new ATOM 1127 N TRP A 73 -6.882 -13.732 -0.104 1.00 0.00 N ATOM 1128 CA TRP A 73 -7.443 -12.474 -0.580 1.00 0.00 C ATOM 1129 C TRP A 73 -6.637 -11.287 -0.061 1.00 0.00 C ATOM 1130 O TRP A 73 -5.721 -11.454 0.745 1.00 0.00 O ATOM 1131 CB TRP A 73 -8.903 -12.345 -0.145 1.00 0.00 C ATOM 1132 CG TRP A 73 -9.800 -13.375 -0.761 1.00 0.00 C ATOM 1133 CD1 TRP A 73 -10.660 -14.210 -0.106 1.00 0.00 C ATOM 1134 CD2 TRP A 73 -9.924 -13.681 -2.154 1.00 0.00 C ATOM 1135 NE1 TRP A 73 -11.311 -15.016 -1.009 1.00 0.00 N ATOM 1136 CE2 TRP A 73 -10.877 -14.712 -2.272 1.00 0.00 C ATOM 1137 CE3 TRP A 73 -9.323 -13.185 -3.314 1.00 0.00 C ATOM 1138 CZ2 TRP A 73 -11.240 -15.253 -3.502 1.00 0.00 C ATOM 1139 CZ3 TRP A 73 -9.684 -13.723 -4.535 1.00 0.00 C ATOM 1140 CH2 TRP A 73 -10.636 -14.747 -4.621 1.00 0.00 C ATOM 0 H TRP A 73 -6.691 -13.756 0.898 1.00 0.00 H new ATOM 0 HA TRP A 73 -7.395 -12.473 -1.669 1.00 0.00 H new ATOM 0 HB2 TRP A 73 -8.960 -12.427 0.940 1.00 0.00 H new ATOM 0 HB3 TRP A 73 -9.267 -11.352 -0.409 1.00 0.00 H new ATOM 0 HD1 TRP A 73 -10.807 -14.233 0.964 1.00 0.00 H new ATOM 0 HE1 TRP A 73 -12.005 -15.726 -0.776 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -8.589 -12.395 -3.257 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 -11.972 -16.044 -3.571 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -9.225 -13.348 -5.437 1.00 0.00 H new ATOM 0 HH2 TRP A 73 -10.899 -15.145 -5.590 1.00 0.00 H new ATOM 1151 N ILE A 74 -6.985 -10.093 -0.526 1.00 0.00 N ATOM 1152 CA ILE A 74 -6.294 -8.880 -0.106 1.00 0.00 C ATOM 1153 C ILE A 74 -7.252 -7.694 -0.046 1.00 0.00 C ATOM 1154 O ILE A 74 -7.928 -7.378 -1.026 1.00 0.00 O ATOM 1155 CB ILE A 74 -5.131 -8.537 -1.055 1.00 0.00 C ATOM 1156 CG1 ILE A 74 -3.887 -9.348 -0.685 1.00 0.00 C ATOM 1157 CG2 ILE A 74 -4.830 -7.046 -1.007 1.00 0.00 C ATOM 1158 CD1 ILE A 74 -2.891 -9.476 -1.816 1.00 0.00 C ATOM 0 H ILE A 74 -7.741 -9.939 -1.193 1.00 0.00 H new ATOM 0 HA ILE A 74 -5.895 -9.073 0.890 1.00 0.00 H new ATOM 0 HB ILE A 74 -5.423 -8.797 -2.073 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -3.397 -8.878 0.168 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -4.194 -10.344 -0.367 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -4.006 -6.819 -1.683 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -5.714 -6.486 -1.312 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -4.554 -6.763 0.009 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -2.035 -10.063 -1.482 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -3.364 -9.973 -2.663 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -2.555 -8.484 -2.119 1.00 0.00 H new ATOM 1170 N HIS A 75 -7.305 -7.040 1.111 1.00 0.00 N ATOM 1171 CA HIS A 75 -8.178 -5.888 1.298 1.00 0.00 C ATOM 1172 C HIS A 75 -7.793 -5.113 2.554 1.00 0.00 C ATOM 1173 O HIS A 75 -6.799 -5.427 3.209 1.00 0.00 O ATOM 1174 CB HIS A 75 -9.637 -6.336 1.388 1.00 0.00 C ATOM 1175 CG HIS A 75 -9.855 -7.481 2.328 1.00 0.00 C ATOM 1176 ND1 HIS A 75 -9.841 -7.343 3.699 1.00 0.00 N ATOM 1177 CD2 HIS A 75 -10.094 -8.792 2.086 1.00 0.00 C ATOM 1178 CE1 HIS A 75 -10.060 -8.518 4.261 1.00 0.00 C ATOM 1179 NE2 HIS A 75 -10.218 -9.414 3.304 1.00 0.00 N ATOM 0 H HIS A 75 -6.753 -7.289 1.932 1.00 0.00 H new ATOM 0 HA HIS A 75 -8.060 -5.231 0.436 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -10.248 -5.492 1.708 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -9.983 -6.621 0.394 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -10.172 -9.261 1.116 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -10.103 -8.713 5.322 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -10.402 -10.407 3.446 1.00 0.00 H new ATOM 1188 N ILE A 76 -8.585 -4.098 2.884 1.00 0.00 N ATOM 1189 CA ILE A 76 -8.327 -3.279 4.062 1.00 0.00 C ATOM 1190 C ILE A 76 -9.617 -2.983 4.819 1.00 0.00 C ATOM 1191 O ILE A 76 -10.702 -2.965 4.237 1.00 0.00 O ATOM 1192 CB ILE A 76 -7.649 -1.949 3.684 1.00 0.00 C ATOM 1193 CG1 ILE A 76 -8.507 -1.182 2.676 1.00 0.00 C ATOM 1194 CG2 ILE A 76 -6.259 -2.204 3.120 1.00 0.00 C ATOM 1195 CD1 ILE A 76 -7.986 0.205 2.371 1.00 0.00 C ATOM 0 H ILE A 76 -9.411 -3.823 2.352 1.00 0.00 H new ATOM 0 HA ILE A 76 -7.656 -3.850 4.704 1.00 0.00 H new ATOM 0 HB ILE A 76 -7.549 -1.341 4.583 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -8.562 -1.753 1.749 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -9.523 -1.103 3.062 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -5.793 -1.254 2.858 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -5.651 -2.712 3.868 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -6.336 -2.828 2.230 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -8.643 0.690 1.649 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -7.958 0.793 3.288 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -6.981 0.133 1.955 1.00 0.00 H new ATOM 1207 N THR A 77 -9.491 -2.748 6.122 1.00 0.00 N ATOM 1208 CA THR A 77 -10.647 -2.451 6.959 1.00 0.00 C ATOM 1209 C THR A 77 -11.903 -3.129 6.425 1.00 0.00 C ATOM 1210 O THR A 77 -12.989 -2.553 6.452 1.00 0.00 O ATOM 1211 CB THR A 77 -10.896 -0.934 7.054 1.00 0.00 C ATOM 1212 OG1 THR A 77 -11.634 -0.633 8.244 1.00 0.00 O ATOM 1213 CG2 THR A 77 -11.661 -0.434 5.838 1.00 0.00 C ATOM 0 H THR A 77 -8.601 -2.758 6.620 1.00 0.00 H new ATOM 0 HA THR A 77 -10.425 -2.838 7.953 1.00 0.00 H new ATOM 0 HB THR A 77 -9.930 -0.431 7.088 1.00 0.00 H new ATOM 0 HG1 THR A 77 -12.454 -1.169 8.265 1.00 0.00 H new ATOM 0 HG21 THR A 77 -11.825 0.640 5.928 1.00 0.00 H new ATOM 0 HG22 THR A 77 -11.085 -0.639 4.936 1.00 0.00 H new ATOM 0 HG23 THR A 77 -12.622 -0.944 5.778 1.00 0.00 H new ATOM 1221 N GLU A 78 -11.745 -4.357 5.938 1.00 0.00 N ATOM 1222 CA GLU A 78 -12.869 -5.112 5.397 1.00 0.00 C ATOM 1223 C GLU A 78 -13.838 -4.193 4.658 1.00 0.00 C ATOM 1224 O GLU A 78 -15.045 -4.224 4.900 1.00 0.00 O ATOM 1225 CB GLU A 78 -13.603 -5.851 6.517 1.00 0.00 C ATOM 1226 CG GLU A 78 -12.976 -7.187 6.878 1.00 0.00 C ATOM 1227 CD GLU A 78 -11.732 -7.035 7.733 1.00 0.00 C ATOM 1228 OE1 GLU A 78 -11.872 -6.748 8.940 1.00 0.00 O ATOM 1229 OE2 GLU A 78 -10.619 -7.205 7.193 1.00 0.00 O ATOM 0 H GLU A 78 -10.852 -4.848 5.907 1.00 0.00 H new ATOM 0 HA GLU A 78 -12.475 -5.841 4.688 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -13.626 -5.218 7.404 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -14.638 -6.014 6.216 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -13.707 -7.795 7.411 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -12.721 -7.723 5.964 1.00 0.00 H new ATOM 1236 N ALA A 79 -13.300 -3.375 3.759 1.00 0.00 N ATOM 1237 CA ALA A 79 -14.116 -2.449 2.985 1.00 0.00 C ATOM 1238 C ALA A 79 -14.465 -3.032 1.620 1.00 0.00 C ATOM 1239 O ALA A 79 -15.584 -2.871 1.131 1.00 0.00 O ATOM 1240 CB ALA A 79 -13.395 -1.119 2.823 1.00 0.00 C ATOM 0 H ALA A 79 -12.303 -3.335 3.549 1.00 0.00 H new ATOM 0 HA ALA A 79 -15.046 -2.283 3.528 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -14.016 -0.437 2.243 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -13.202 -0.688 3.805 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -12.449 -1.278 2.305 1.00 0.00 H new ATOM 1246 N LYS A 80 -13.501 -3.711 1.008 1.00 0.00 N ATOM 1247 CA LYS A 80 -13.704 -4.320 -0.301 1.00 0.00 C ATOM 1248 C LYS A 80 -12.691 -5.433 -0.547 1.00 0.00 C ATOM 1249 O LYS A 80 -11.481 -5.209 -0.499 1.00 0.00 O ATOM 1250 CB LYS A 80 -13.592 -3.262 -1.402 1.00 0.00 C ATOM 1251 CG LYS A 80 -13.561 -3.844 -2.804 1.00 0.00 C ATOM 1252 CD LYS A 80 -14.963 -4.025 -3.363 1.00 0.00 C ATOM 1253 CE LYS A 80 -15.422 -2.792 -4.128 1.00 0.00 C ATOM 1254 NZ LYS A 80 -16.147 -1.833 -3.250 1.00 0.00 N ATOM 0 H LYS A 80 -12.570 -3.854 1.399 1.00 0.00 H new ATOM 0 HA LYS A 80 -14.704 -4.752 -0.321 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -14.435 -2.575 -1.321 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -12.687 -2.676 -1.241 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -12.989 -3.187 -3.459 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -13.047 -4.805 -2.789 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -14.984 -4.892 -4.023 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -15.657 -4.228 -2.548 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -14.558 -2.297 -4.571 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -16.072 -3.095 -4.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -16.725 -1.196 -3.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -16.763 -2.358 -2.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -15.460 -1.274 -2.705 1.00 0.00 H new ATOM 1268 N LYS A 81 -13.193 -6.634 -0.813 1.00 0.00 N ATOM 1269 CA LYS A 81 -12.333 -7.784 -1.071 1.00 0.00 C ATOM 1270 C LYS A 81 -11.857 -7.793 -2.519 1.00 0.00 C ATOM 1271 O LYS A 81 -12.664 -7.813 -3.449 1.00 0.00 O ATOM 1272 CB LYS A 81 -13.077 -9.083 -0.758 1.00 0.00 C ATOM 1273 CG LYS A 81 -14.531 -9.074 -1.200 1.00 0.00 C ATOM 1274 CD LYS A 81 -15.147 -10.461 -1.123 1.00 0.00 C ATOM 1275 CE LYS A 81 -16.348 -10.589 -2.046 1.00 0.00 C ATOM 1276 NZ LYS A 81 -15.939 -10.777 -3.466 1.00 0.00 N ATOM 0 H LYS A 81 -14.192 -6.837 -0.856 1.00 0.00 H new ATOM 0 HA LYS A 81 -11.461 -7.707 -0.422 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -12.563 -9.912 -1.245 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -13.034 -9.267 0.315 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -15.099 -8.388 -0.572 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -14.599 -8.701 -2.222 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -14.400 -11.208 -1.391 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -15.451 -10.669 -0.097 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -16.961 -11.433 -1.730 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -16.968 -9.696 -1.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -16.700 -10.446 -4.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -15.074 -10.231 -3.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -15.758 -11.785 -3.644 1.00 0.00 H new ATOM 1290 N PHE A 82 -10.541 -7.781 -2.705 1.00 0.00 N ATOM 1291 CA PHE A 82 -9.956 -7.788 -4.041 1.00 0.00 C ATOM 1292 C PHE A 82 -9.191 -9.085 -4.292 1.00 0.00 C ATOM 1293 O PHE A 82 -8.965 -9.872 -3.374 1.00 0.00 O ATOM 1294 CB PHE A 82 -9.023 -6.590 -4.219 1.00 0.00 C ATOM 1295 CG PHE A 82 -9.749 -5.290 -4.423 1.00 0.00 C ATOM 1296 CD1 PHE A 82 -10.526 -5.085 -5.551 1.00 0.00 C ATOM 1297 CD2 PHE A 82 -9.653 -4.274 -3.485 1.00 0.00 C ATOM 1298 CE1 PHE A 82 -11.195 -3.890 -5.741 1.00 0.00 C ATOM 1299 CE2 PHE A 82 -10.319 -3.077 -3.669 1.00 0.00 C ATOM 1300 CZ PHE A 82 -11.092 -2.885 -4.799 1.00 0.00 C ATOM 0 H PHE A 82 -9.859 -7.766 -1.947 1.00 0.00 H new ATOM 0 HA PHE A 82 -10.767 -7.718 -4.766 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -8.382 -6.505 -3.341 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -8.371 -6.771 -5.074 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -10.610 -5.867 -6.291 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -9.051 -4.419 -2.600 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -11.798 -3.742 -6.625 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -10.236 -2.293 -2.931 1.00 0.00 H new ATOM 0 HZ PHE A 82 -11.614 -1.951 -4.945 1.00 0.00 H new ATOM 1310 N ASP A 83 -8.797 -9.299 -5.543 1.00 0.00 N ATOM 1311 CA ASP A 83 -8.058 -10.499 -5.917 1.00 0.00 C ATOM 1312 C ASP A 83 -6.595 -10.387 -5.497 1.00 0.00 C ATOM 1313 O ASP A 83 -5.981 -11.371 -5.085 1.00 0.00 O ATOM 1314 CB ASP A 83 -8.153 -10.733 -7.425 1.00 0.00 C ATOM 1315 CG ASP A 83 -7.027 -10.064 -8.187 1.00 0.00 C ATOM 1316 OD1 ASP A 83 -7.005 -8.817 -8.239 1.00 0.00 O ATOM 1317 OD2 ASP A 83 -6.167 -10.787 -8.732 1.00 0.00 O ATOM 0 H ASP A 83 -8.977 -8.657 -6.315 1.00 0.00 H new ATOM 0 HA ASP A 83 -8.503 -11.348 -5.398 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -8.137 -11.804 -7.625 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -9.109 -10.355 -7.789 1.00 0.00 H new ATOM 1322 N SER A 84 -6.043 -9.184 -5.607 1.00 0.00 N ATOM 1323 CA SER A 84 -4.651 -8.944 -5.246 1.00 0.00 C ATOM 1324 C SER A 84 -4.447 -7.500 -4.797 1.00 0.00 C ATOM 1325 O SER A 84 -5.382 -6.699 -4.798 1.00 0.00 O ATOM 1326 CB SER A 84 -3.733 -9.258 -6.429 1.00 0.00 C ATOM 1327 OG SER A 84 -2.449 -9.661 -5.985 1.00 0.00 O ATOM 0 H SER A 84 -6.539 -8.359 -5.944 1.00 0.00 H new ATOM 0 HA SER A 84 -4.398 -9.603 -4.415 1.00 0.00 H new ATOM 0 HB2 SER A 84 -4.175 -10.047 -7.037 1.00 0.00 H new ATOM 0 HB3 SER A 84 -3.641 -8.378 -7.066 1.00 0.00 H new ATOM 0 HG SER A 84 -1.994 -10.152 -6.701 1.00 0.00 H new ATOM 1333 N LEU A 85 -3.217 -7.175 -4.414 1.00 0.00 N ATOM 1334 CA LEU A 85 -2.887 -5.828 -3.962 1.00 0.00 C ATOM 1335 C LEU A 85 -2.934 -4.839 -5.122 1.00 0.00 C ATOM 1336 O LEU A 85 -3.183 -3.648 -4.926 1.00 0.00 O ATOM 1337 CB LEU A 85 -1.500 -5.810 -3.317 1.00 0.00 C ATOM 1338 CG LEU A 85 -0.876 -4.430 -3.104 1.00 0.00 C ATOM 1339 CD1 LEU A 85 -1.655 -3.649 -2.057 1.00 0.00 C ATOM 1340 CD2 LEU A 85 0.584 -4.562 -2.699 1.00 0.00 C ATOM 0 H LEU A 85 -2.432 -7.826 -4.407 1.00 0.00 H new ATOM 0 HA LEU A 85 -3.628 -5.528 -3.222 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -1.564 -6.311 -2.351 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -0.825 -6.400 -3.937 1.00 0.00 H new ATOM 0 HG LEU A 85 -0.922 -3.881 -4.045 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -1.197 -2.670 -1.918 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -2.686 -3.524 -2.389 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -1.641 -4.193 -1.113 1.00 0.00 H new ATOM 0 HD21 LEU A 85 1.012 -3.570 -2.552 1.00 0.00 H new ATOM 0 HD22 LEU A 85 0.654 -5.129 -1.771 1.00 0.00 H new ATOM 0 HD23 LEU A 85 1.134 -5.081 -3.484 1.00 0.00 H new ATOM 1352 N LEU A 86 -2.696 -5.338 -6.329 1.00 0.00 N ATOM 1353 CA LEU A 86 -2.714 -4.498 -7.522 1.00 0.00 C ATOM 1354 C LEU A 86 -4.097 -3.895 -7.742 1.00 0.00 C ATOM 1355 O LEU A 86 -4.235 -2.684 -7.914 1.00 0.00 O ATOM 1356 CB LEU A 86 -2.299 -5.313 -8.749 1.00 0.00 C ATOM 1357 CG LEU A 86 -2.118 -4.525 -10.047 1.00 0.00 C ATOM 1358 CD1 LEU A 86 -0.961 -3.546 -9.920 1.00 0.00 C ATOM 1359 CD2 LEU A 86 -1.892 -5.471 -11.218 1.00 0.00 C ATOM 0 H LEU A 86 -2.488 -6.320 -6.508 1.00 0.00 H new ATOM 0 HA LEU A 86 -2.003 -3.685 -7.375 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -1.362 -5.822 -8.523 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -3.049 -6.086 -8.918 1.00 0.00 H new ATOM 0 HG LEU A 86 -3.029 -3.957 -10.235 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -0.847 -2.994 -10.853 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -1.163 -2.848 -9.108 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -0.043 -4.094 -9.708 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -1.765 -4.893 -12.133 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -0.997 -6.066 -11.038 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -2.752 -6.132 -11.323 1.00 0.00 H new ATOM 1371 N GLU A 87 -5.118 -4.746 -7.734 1.00 0.00 N ATOM 1372 CA GLU A 87 -6.490 -4.295 -7.932 1.00 0.00 C ATOM 1373 C GLU A 87 -6.904 -3.316 -6.837 1.00 0.00 C ATOM 1374 O GLU A 87 -7.582 -2.322 -7.102 1.00 0.00 O ATOM 1375 CB GLU A 87 -7.446 -5.490 -7.949 1.00 0.00 C ATOM 1376 CG GLU A 87 -7.683 -6.060 -9.338 1.00 0.00 C ATOM 1377 CD GLU A 87 -8.798 -5.347 -10.078 1.00 0.00 C ATOM 1378 OE1 GLU A 87 -9.777 -4.935 -9.421 1.00 0.00 O ATOM 1379 OE2 GLU A 87 -8.692 -5.199 -11.314 1.00 0.00 O ATOM 0 H GLU A 87 -5.021 -5.751 -7.593 1.00 0.00 H new ATOM 0 HA GLU A 87 -6.542 -3.783 -8.893 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -7.045 -6.274 -7.307 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -8.402 -5.186 -7.522 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -6.763 -5.988 -9.918 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -7.926 -7.119 -9.255 1.00 0.00 H new ATOM 1386 N LEU A 88 -6.492 -3.603 -5.608 1.00 0.00 N ATOM 1387 CA LEU A 88 -6.819 -2.749 -4.472 1.00 0.00 C ATOM 1388 C LEU A 88 -6.259 -1.344 -4.667 1.00 0.00 C ATOM 1389 O LEU A 88 -6.864 -0.358 -4.246 1.00 0.00 O ATOM 1390 CB LEU A 88 -6.269 -3.353 -3.178 1.00 0.00 C ATOM 1391 CG LEU A 88 -6.539 -2.560 -1.899 1.00 0.00 C ATOM 1392 CD1 LEU A 88 -6.645 -3.494 -0.704 1.00 0.00 C ATOM 1393 CD2 LEU A 88 -5.446 -1.525 -1.673 1.00 0.00 C ATOM 0 H LEU A 88 -5.930 -4.421 -5.372 1.00 0.00 H new ATOM 0 HA LEU A 88 -7.905 -2.682 -4.402 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -6.691 -4.351 -3.059 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.191 -3.473 -3.286 1.00 0.00 H new ATOM 0 HG LEU A 88 -7.489 -2.038 -2.012 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -6.837 -2.912 0.197 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -7.463 -4.197 -0.863 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -5.711 -4.044 -0.588 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -5.654 -0.970 -0.758 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -4.483 -2.027 -1.581 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -5.417 -0.836 -2.517 1.00 0.00 H new ATOM 1405 N VAL A 89 -5.099 -1.260 -5.313 1.00 0.00 N ATOM 1406 CA VAL A 89 -4.459 0.025 -5.568 1.00 0.00 C ATOM 1407 C VAL A 89 -5.070 0.712 -6.784 1.00 0.00 C ATOM 1408 O VAL A 89 -5.449 1.881 -6.723 1.00 0.00 O ATOM 1409 CB VAL A 89 -2.943 -0.138 -5.792 1.00 0.00 C ATOM 1410 CG1 VAL A 89 -2.301 1.206 -6.101 1.00 0.00 C ATOM 1411 CG2 VAL A 89 -2.292 -0.782 -4.578 1.00 0.00 C ATOM 0 H VAL A 89 -4.585 -2.066 -5.669 1.00 0.00 H new ATOM 0 HA VAL A 89 -4.625 0.642 -4.685 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.788 -0.793 -6.649 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.231 1.071 -6.256 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.748 1.624 -7.003 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.463 1.887 -5.266 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -1.222 -0.890 -4.753 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -2.455 -0.154 -3.702 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -2.732 -1.764 -4.407 1.00 0.00 H new ATOM 1421 N GLU A 90 -5.163 -0.023 -7.888 1.00 0.00 N ATOM 1422 CA GLU A 90 -5.729 0.516 -9.118 1.00 0.00 C ATOM 1423 C GLU A 90 -7.155 1.011 -8.892 1.00 0.00 C ATOM 1424 O GLU A 90 -7.665 1.834 -9.650 1.00 0.00 O ATOM 1425 CB GLU A 90 -5.715 -0.545 -10.220 1.00 0.00 C ATOM 1426 CG GLU A 90 -4.319 -0.900 -10.706 1.00 0.00 C ATOM 1427 CD GLU A 90 -4.337 -1.772 -11.947 1.00 0.00 C ATOM 1428 OE1 GLU A 90 -4.664 -2.970 -11.826 1.00 0.00 O ATOM 1429 OE2 GLU A 90 -4.025 -1.254 -13.040 1.00 0.00 O ATOM 0 H GLU A 90 -4.854 -0.993 -7.955 1.00 0.00 H new ATOM 0 HA GLU A 90 -5.115 1.361 -9.429 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -6.202 -1.447 -9.850 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -6.305 -0.188 -11.064 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -3.768 0.016 -10.918 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -3.782 -1.417 -9.911 1.00 0.00 H new ATOM 1436 N TYR A 91 -7.791 0.500 -7.843 1.00 0.00 N ATOM 1437 CA TYR A 91 -9.159 0.887 -7.517 1.00 0.00 C ATOM 1438 C TYR A 91 -9.199 2.285 -6.908 1.00 0.00 C ATOM 1439 O TYR A 91 -9.980 3.137 -7.333 1.00 0.00 O ATOM 1440 CB TYR A 91 -9.779 -0.122 -6.548 1.00 0.00 C ATOM 1441 CG TYR A 91 -11.193 0.222 -6.140 1.00 0.00 C ATOM 1442 CD1 TYR A 91 -12.280 -0.232 -6.876 1.00 0.00 C ATOM 1443 CD2 TYR A 91 -11.442 1.003 -5.017 1.00 0.00 C ATOM 1444 CE1 TYR A 91 -13.574 0.080 -6.506 1.00 0.00 C ATOM 1445 CE2 TYR A 91 -12.733 1.318 -4.639 1.00 0.00 C ATOM 1446 CZ TYR A 91 -13.795 0.855 -5.387 1.00 0.00 C ATOM 1447 OH TYR A 91 -15.082 1.169 -5.015 1.00 0.00 O ATOM 0 H TYR A 91 -7.382 -0.182 -7.205 1.00 0.00 H new ATOM 0 HA TYR A 91 -9.737 0.896 -8.441 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -9.773 -1.109 -7.011 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -9.157 -0.185 -5.655 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -12.111 -0.839 -7.753 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -10.613 1.369 -4.430 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -14.408 -0.281 -7.090 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -12.910 1.924 -3.762 1.00 0.00 H new ATOM 0 HH TYR A 91 -15.063 1.880 -4.341 1.00 0.00 H new ATOM 1457 N TYR A 92 -8.352 2.513 -5.910 1.00 0.00 N ATOM 1458 CA TYR A 92 -8.291 3.806 -5.240 1.00 0.00 C ATOM 1459 C TYR A 92 -7.601 4.844 -6.119 1.00 0.00 C ATOM 1460 O TYR A 92 -7.871 6.040 -6.015 1.00 0.00 O ATOM 1461 CB TYR A 92 -7.553 3.679 -3.906 1.00 0.00 C ATOM 1462 CG TYR A 92 -8.278 2.825 -2.891 1.00 0.00 C ATOM 1463 CD1 TYR A 92 -9.638 2.987 -2.663 1.00 0.00 C ATOM 1464 CD2 TYR A 92 -7.602 1.855 -2.161 1.00 0.00 C ATOM 1465 CE1 TYR A 92 -10.305 2.209 -1.737 1.00 0.00 C ATOM 1466 CE2 TYR A 92 -8.261 1.072 -1.232 1.00 0.00 C ATOM 1467 CZ TYR A 92 -9.611 1.253 -1.024 1.00 0.00 C ATOM 1468 OH TYR A 92 -10.272 0.475 -0.100 1.00 0.00 O ATOM 0 H TYR A 92 -7.698 1.819 -5.548 1.00 0.00 H new ATOM 0 HA TYR A 92 -9.312 4.137 -5.052 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -6.565 3.255 -4.086 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -7.401 4.674 -3.488 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -10.184 3.734 -3.219 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -6.544 1.710 -2.322 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -11.363 2.348 -1.572 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -7.721 0.323 -0.672 1.00 0.00 H new ATOM 0 HH TYR A 92 -9.838 -0.402 -0.040 1.00 0.00 H new ATOM 1478 N GLN A 93 -6.709 4.376 -6.987 1.00 0.00 N ATOM 1479 CA GLN A 93 -5.980 5.262 -7.886 1.00 0.00 C ATOM 1480 C GLN A 93 -6.930 6.220 -8.595 1.00 0.00 C ATOM 1481 O GLN A 93 -6.529 7.302 -9.027 1.00 0.00 O ATOM 1482 CB GLN A 93 -5.196 4.446 -8.916 1.00 0.00 C ATOM 1483 CG GLN A 93 -3.833 3.989 -8.420 1.00 0.00 C ATOM 1484 CD GLN A 93 -3.000 3.347 -9.512 1.00 0.00 C ATOM 1485 OE1 GLN A 93 -3.423 3.270 -10.666 1.00 0.00 O ATOM 1486 NE2 GLN A 93 -1.809 2.883 -9.153 1.00 0.00 N ATOM 0 H GLN A 93 -6.474 3.388 -7.086 1.00 0.00 H new ATOM 0 HA GLN A 93 -5.281 5.848 -7.289 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -5.783 3.572 -9.198 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -5.064 5.045 -9.817 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -3.294 4.844 -8.012 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -3.967 3.278 -7.605 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -1.499 2.968 -8.185 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -1.204 2.441 -9.845 1.00 0.00 H new ATOM 1495 N CYS A 94 -8.190 5.816 -8.713 1.00 0.00 N ATOM 1496 CA CYS A 94 -9.198 6.639 -9.372 1.00 0.00 C ATOM 1497 C CYS A 94 -10.336 6.977 -8.413 1.00 0.00 C ATOM 1498 O CYS A 94 -10.922 8.058 -8.486 1.00 0.00 O ATOM 1499 CB CYS A 94 -9.749 5.920 -10.603 1.00 0.00 C ATOM 1500 SG CYS A 94 -10.856 6.929 -11.615 1.00 0.00 S ATOM 0 H CYS A 94 -8.538 4.924 -8.361 1.00 0.00 H new ATOM 0 HA CYS A 94 -8.723 7.569 -9.686 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -8.914 5.586 -11.219 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -10.283 5.027 -10.280 1.00 0.00 H new ATOM 0 HG CYS A 94 -11.268 6.233 -12.633 1.00 0.00 H new ATOM 1506 N HIS A 95 -10.643 6.045 -7.517 1.00 0.00 N ATOM 1507 CA HIS A 95 -11.712 6.244 -6.545 1.00 0.00 C ATOM 1508 C HIS A 95 -11.147 6.702 -5.203 1.00 0.00 C ATOM 1509 O HIS A 95 -10.248 6.072 -4.648 1.00 0.00 O ATOM 1510 CB HIS A 95 -12.508 4.952 -6.360 1.00 0.00 C ATOM 1511 CG HIS A 95 -12.536 4.086 -7.581 1.00 0.00 C ATOM 1512 ND1 HIS A 95 -12.434 2.711 -7.532 1.00 0.00 N ATOM 1513 CD2 HIS A 95 -12.657 4.405 -8.891 1.00 0.00 C ATOM 1514 CE1 HIS A 95 -12.488 2.224 -8.759 1.00 0.00 C ATOM 1515 NE2 HIS A 95 -12.624 3.231 -9.602 1.00 0.00 N ATOM 0 H HIS A 95 -10.168 5.146 -7.444 1.00 0.00 H new ATOM 0 HA HIS A 95 -12.376 7.021 -6.925 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -12.079 4.386 -5.533 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -13.531 5.202 -6.079 1.00 0.00 H new ATOM 0 HD1 HIS A 95 -12.333 2.157 -6.682 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -12.760 5.399 -9.301 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -12.431 1.179 -9.027 1.00 0.00 H new ATOM 1524 N SER A 96 -11.681 7.806 -4.688 1.00 0.00 N ATOM 1525 CA SER A 96 -11.227 8.352 -3.414 1.00 0.00 C ATOM 1526 C SER A 96 -11.268 7.288 -2.321 1.00 0.00 C ATOM 1527 O SER A 96 -11.989 6.295 -2.431 1.00 0.00 O ATOM 1528 CB SER A 96 -12.093 9.547 -3.011 1.00 0.00 C ATOM 1529 OG SER A 96 -11.434 10.352 -2.047 1.00 0.00 O ATOM 0 H SER A 96 -12.428 8.339 -5.133 1.00 0.00 H new ATOM 0 HA SER A 96 -10.196 8.683 -3.535 1.00 0.00 H new ATOM 0 HB2 SER A 96 -12.325 10.146 -3.892 1.00 0.00 H new ATOM 0 HB3 SER A 96 -13.041 9.193 -2.607 1.00 0.00 H new ATOM 0 HG SER A 96 -12.007 11.110 -1.807 1.00 0.00 H new ATOM 1535 N LEU A 97 -10.489 7.502 -1.268 1.00 0.00 N ATOM 1536 CA LEU A 97 -10.434 6.562 -0.153 1.00 0.00 C ATOM 1537 C LEU A 97 -11.560 6.830 0.841 1.00 0.00 C ATOM 1538 O LEU A 97 -11.752 6.077 1.796 1.00 0.00 O ATOM 1539 CB LEU A 97 -9.081 6.656 0.554 1.00 0.00 C ATOM 1540 CG LEU A 97 -7.966 5.776 -0.011 1.00 0.00 C ATOM 1541 CD1 LEU A 97 -6.609 6.428 0.207 1.00 0.00 C ATOM 1542 CD2 LEU A 97 -8.004 4.393 0.624 1.00 0.00 C ATOM 0 H LEU A 97 -9.886 8.318 -1.162 1.00 0.00 H new ATOM 0 HA LEU A 97 -10.558 5.555 -0.552 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -8.749 7.694 0.523 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -9.223 6.398 1.603 1.00 0.00 H new ATOM 0 HG LEU A 97 -8.125 5.666 -1.084 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -5.828 5.787 -0.202 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -6.585 7.395 -0.296 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -6.441 6.570 1.275 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -7.203 3.780 0.210 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -7.871 4.484 1.702 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -8.965 3.923 0.415 1.00 0.00 H new ATOM 1554 N LYS A 98 -12.304 7.907 0.609 1.00 0.00 N ATOM 1555 CA LYS A 98 -13.413 8.274 1.481 1.00 0.00 C ATOM 1556 C LYS A 98 -14.293 7.065 1.779 1.00 0.00 C ATOM 1557 O LYS A 98 -14.702 6.850 2.919 1.00 0.00 O ATOM 1558 CB LYS A 98 -14.250 9.381 0.837 1.00 0.00 C ATOM 1559 CG LYS A 98 -15.323 8.864 -0.105 1.00 0.00 C ATOM 1560 CD LYS A 98 -16.254 9.977 -0.555 1.00 0.00 C ATOM 1561 CE LYS A 98 -17.026 9.586 -1.806 1.00 0.00 C ATOM 1562 NZ LYS A 98 -17.756 10.744 -2.392 1.00 0.00 N ATOM 0 H LYS A 98 -12.158 8.541 -0.177 1.00 0.00 H new ATOM 0 HA LYS A 98 -12.999 8.640 2.420 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -14.722 9.971 1.622 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -13.589 10.052 0.288 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -14.854 8.407 -0.976 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -15.900 8.085 0.392 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -16.954 10.214 0.246 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -15.676 10.880 -0.750 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -16.337 9.179 -2.546 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -17.735 8.795 -1.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -18.269 10.436 -3.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -18.432 11.117 -1.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -17.077 11.489 -2.648 1.00 0.00 H new ATOM 1576 N GLU A 99 -14.581 6.278 0.746 1.00 0.00 N ATOM 1577 CA GLU A 99 -15.412 5.091 0.900 1.00 0.00 C ATOM 1578 C GLU A 99 -14.992 4.286 2.126 1.00 0.00 C ATOM 1579 O GLU A 99 -15.829 3.891 2.939 1.00 0.00 O ATOM 1580 CB GLU A 99 -15.325 4.215 -0.352 1.00 0.00 C ATOM 1581 CG GLU A 99 -15.808 4.908 -1.616 1.00 0.00 C ATOM 1582 CD GLU A 99 -16.127 3.932 -2.731 1.00 0.00 C ATOM 1583 OE1 GLU A 99 -15.307 3.022 -2.977 1.00 0.00 O ATOM 1584 OE2 GLU A 99 -17.196 4.077 -3.359 1.00 0.00 O ATOM 0 H GLU A 99 -14.251 6.442 -0.205 1.00 0.00 H new ATOM 0 HA GLU A 99 -16.443 5.417 1.037 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -14.291 3.900 -0.493 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -15.915 3.312 -0.195 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -16.697 5.495 -1.387 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -15.044 5.607 -1.957 1.00 0.00 H new ATOM 1591 N SER A 100 -13.691 4.048 2.253 1.00 0.00 N ATOM 1592 CA SER A 100 -13.159 3.288 3.378 1.00 0.00 C ATOM 1593 C SER A 100 -13.002 4.177 4.609 1.00 0.00 C ATOM 1594 O SER A 100 -13.334 3.776 5.724 1.00 0.00 O ATOM 1595 CB SER A 100 -11.811 2.666 3.008 1.00 0.00 C ATOM 1596 OG SER A 100 -11.964 1.674 2.008 1.00 0.00 O ATOM 0 H SER A 100 -12.985 4.370 1.591 1.00 0.00 H new ATOM 0 HA SER A 100 -13.866 2.492 3.614 1.00 0.00 H new ATOM 0 HB2 SER A 100 -11.134 3.443 2.653 1.00 0.00 H new ATOM 0 HB3 SER A 100 -11.355 2.226 3.895 1.00 0.00 H new ATOM 0 HG SER A 100 -11.138 1.606 1.486 1.00 0.00 H new ATOM 1602 N PHE A 101 -12.492 5.386 4.396 1.00 0.00 N ATOM 1603 CA PHE A 101 -12.289 6.332 5.487 1.00 0.00 C ATOM 1604 C PHE A 101 -12.810 7.715 5.111 1.00 0.00 C ATOM 1605 O PHE A 101 -12.116 8.498 4.462 1.00 0.00 O ATOM 1606 CB PHE A 101 -10.804 6.414 5.849 1.00 0.00 C ATOM 1607 CG PHE A 101 -10.191 5.081 6.170 1.00 0.00 C ATOM 1608 CD1 PHE A 101 -10.508 4.423 7.347 1.00 0.00 C ATOM 1609 CD2 PHE A 101 -9.297 4.487 5.294 1.00 0.00 C ATOM 1610 CE1 PHE A 101 -9.944 3.197 7.645 1.00 0.00 C ATOM 1611 CE2 PHE A 101 -8.730 3.260 5.586 1.00 0.00 C ATOM 1612 CZ PHE A 101 -9.054 2.614 6.763 1.00 0.00 C ATOM 0 H PHE A 101 -12.212 5.733 3.479 1.00 0.00 H new ATOM 0 HA PHE A 101 -12.848 5.976 6.353 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -10.260 6.865 5.019 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -10.683 7.076 6.706 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -11.204 4.873 8.040 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -9.040 4.988 4.372 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -10.199 2.695 8.567 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -8.035 2.807 4.895 1.00 0.00 H new ATOM 0 HZ PHE A 101 -8.613 1.656 6.994 1.00 0.00 H new ATOM 1622 N LYS A 102 -14.038 8.011 5.523 1.00 0.00 N ATOM 1623 CA LYS A 102 -14.654 9.300 5.231 1.00 0.00 C ATOM 1624 C LYS A 102 -13.662 10.439 5.448 1.00 0.00 C ATOM 1625 O LYS A 102 -13.486 11.293 4.581 1.00 0.00 O ATOM 1626 CB LYS A 102 -15.888 9.509 6.111 1.00 0.00 C ATOM 1627 CG LYS A 102 -15.625 9.290 7.591 1.00 0.00 C ATOM 1628 CD LYS A 102 -16.891 8.893 8.330 1.00 0.00 C ATOM 1629 CE LYS A 102 -17.058 7.382 8.377 1.00 0.00 C ATOM 1630 NZ LYS A 102 -17.861 6.878 7.229 1.00 0.00 N ATOM 0 H LYS A 102 -14.627 7.375 6.061 1.00 0.00 H new ATOM 0 HA LYS A 102 -14.957 9.301 4.184 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -16.262 10.522 5.963 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -16.675 8.828 5.786 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -14.871 8.513 7.716 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -15.219 10.202 8.028 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -16.860 9.289 9.345 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -17.755 9.341 7.840 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -16.077 6.908 8.370 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -17.542 7.099 9.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -18.239 5.936 7.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -18.649 7.531 7.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -17.257 6.814 6.385 1.00 0.00 H new ATOM 1644 N GLN A 103 -13.019 10.442 6.610 1.00 0.00 N ATOM 1645 CA GLN A 103 -12.045 11.476 6.941 1.00 0.00 C ATOM 1646 C GLN A 103 -10.988 11.597 5.847 1.00 0.00 C ATOM 1647 O GLN A 103 -10.480 12.687 5.578 1.00 0.00 O ATOM 1648 CB GLN A 103 -11.376 11.167 8.281 1.00 0.00 C ATOM 1649 CG GLN A 103 -12.339 11.171 9.457 1.00 0.00 C ATOM 1650 CD GLN A 103 -13.211 12.410 9.492 1.00 0.00 C ATOM 1651 OE1 GLN A 103 -12.842 13.460 8.963 1.00 0.00 O ATOM 1652 NE2 GLN A 103 -14.378 12.295 10.115 1.00 0.00 N ATOM 0 H GLN A 103 -13.154 9.741 7.338 1.00 0.00 H new ATOM 0 HA GLN A 103 -12.573 12.426 7.018 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -10.894 10.191 8.220 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -10.590 11.900 8.463 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -12.973 10.286 9.405 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -11.773 11.103 10.386 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -14.644 11.407 10.539 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -15.008 13.095 10.169 1.00 0.00 H new ATOM 1661 N LEU A 104 -10.661 10.473 5.221 1.00 0.00 N ATOM 1662 CA LEU A 104 -9.664 10.452 4.156 1.00 0.00 C ATOM 1663 C LEU A 104 -10.332 10.475 2.784 1.00 0.00 C ATOM 1664 O LEU A 104 -10.973 9.505 2.379 1.00 0.00 O ATOM 1665 CB LEU A 104 -8.778 9.211 4.283 1.00 0.00 C ATOM 1666 CG LEU A 104 -7.396 9.306 3.637 1.00 0.00 C ATOM 1667 CD1 LEU A 104 -6.394 9.920 4.603 1.00 0.00 C ATOM 1668 CD2 LEU A 104 -6.925 7.931 3.183 1.00 0.00 C ATOM 0 H LEU A 104 -11.071 9.563 5.432 1.00 0.00 H new ATOM 0 HA LEU A 104 -9.045 11.344 4.254 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -8.648 8.989 5.342 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -9.306 8.365 3.842 1.00 0.00 H new ATOM 0 HG LEU A 104 -7.469 9.953 2.763 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -5.416 9.979 4.124 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -6.723 10.921 4.881 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -6.324 9.300 5.497 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -5.939 8.017 2.725 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -6.869 7.263 4.043 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -7.629 7.527 2.455 1.00 0.00 H new ATOM 1680 N ASP A 105 -10.174 11.585 2.073 1.00 0.00 N ATOM 1681 CA ASP A 105 -10.758 11.733 0.745 1.00 0.00 C ATOM 1682 C ASP A 105 -9.696 12.129 -0.275 1.00 0.00 C ATOM 1683 O ASP A 105 -9.415 13.312 -0.468 1.00 0.00 O ATOM 1684 CB ASP A 105 -11.874 12.778 0.769 1.00 0.00 C ATOM 1685 CG ASP A 105 -11.405 14.115 1.310 1.00 0.00 C ATOM 1686 OD1 ASP A 105 -11.142 14.203 2.526 1.00 0.00 O ATOM 1687 OD2 ASP A 105 -11.301 15.073 0.514 1.00 0.00 O ATOM 0 H ASP A 105 -9.646 12.397 2.394 1.00 0.00 H new ATOM 0 HA ASP A 105 -11.178 10.771 0.451 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -12.262 12.914 -0.240 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -12.698 12.411 1.381 1.00 0.00 H new ATOM 1692 N THR A 106 -9.106 11.132 -0.925 1.00 0.00 N ATOM 1693 CA THR A 106 -8.073 11.375 -1.924 1.00 0.00 C ATOM 1694 C THR A 106 -7.798 10.121 -2.748 1.00 0.00 C ATOM 1695 O THR A 106 -8.200 9.019 -2.375 1.00 0.00 O ATOM 1696 CB THR A 106 -6.760 11.844 -1.271 1.00 0.00 C ATOM 1697 OG1 THR A 106 -5.853 12.314 -2.276 1.00 0.00 O ATOM 1698 CG2 THR A 106 -6.112 10.714 -0.486 1.00 0.00 C ATOM 0 H THR A 106 -9.326 10.147 -0.777 1.00 0.00 H new ATOM 0 HA THR A 106 -8.446 12.162 -2.579 1.00 0.00 H new ATOM 0 HB THR A 106 -6.993 12.657 -0.583 1.00 0.00 H new ATOM 0 HG1 THR A 106 -5.021 12.612 -1.852 1.00 0.00 H new ATOM 0 HG21 THR A 106 -5.186 11.069 -0.034 1.00 0.00 H new ATOM 0 HG22 THR A 106 -6.792 10.378 0.297 1.00 0.00 H new ATOM 0 HG23 THR A 106 -5.893 9.884 -1.157 1.00 0.00 H new ATOM 1706 N THR A 107 -7.109 10.296 -3.871 1.00 0.00 N ATOM 1707 CA THR A 107 -6.781 9.179 -4.748 1.00 0.00 C ATOM 1708 C THR A 107 -5.311 9.211 -5.153 1.00 0.00 C ATOM 1709 O THR A 107 -4.798 10.244 -5.585 1.00 0.00 O ATOM 1710 CB THR A 107 -7.652 9.188 -6.018 1.00 0.00 C ATOM 1711 OG1 THR A 107 -7.522 10.445 -6.693 1.00 0.00 O ATOM 1712 CG2 THR A 107 -9.111 8.937 -5.675 1.00 0.00 C ATOM 0 H THR A 107 -6.767 11.201 -4.195 1.00 0.00 H new ATOM 0 HA THR A 107 -6.980 8.267 -4.186 1.00 0.00 H new ATOM 0 HB THR A 107 -7.308 8.388 -6.674 1.00 0.00 H new ATOM 0 HG1 THR A 107 -6.663 10.855 -6.458 1.00 0.00 H new ATOM 0 HG21 THR A 107 -9.706 8.948 -6.588 1.00 0.00 H new ATOM 0 HG22 THR A 107 -9.209 7.966 -5.190 1.00 0.00 H new ATOM 0 HG23 THR A 107 -9.466 9.717 -5.001 1.00 0.00 H new ATOM 1720 N LEU A 108 -4.637 8.075 -5.010 1.00 0.00 N ATOM 1721 CA LEU A 108 -3.225 7.973 -5.362 1.00 0.00 C ATOM 1722 C LEU A 108 -2.897 8.860 -6.559 1.00 0.00 C ATOM 1723 O LEU A 108 -3.193 8.512 -7.702 1.00 0.00 O ATOM 1724 CB LEU A 108 -2.861 6.522 -5.672 1.00 0.00 C ATOM 1725 CG LEU A 108 -3.414 5.469 -4.711 1.00 0.00 C ATOM 1726 CD1 LEU A 108 -2.746 4.124 -4.949 1.00 0.00 C ATOM 1727 CD2 LEU A 108 -3.224 5.913 -3.268 1.00 0.00 C ATOM 0 H LEU A 108 -5.046 7.211 -4.653 1.00 0.00 H new ATOM 0 HA LEU A 108 -2.637 8.314 -4.510 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -3.212 6.287 -6.677 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -1.774 6.436 -5.686 1.00 0.00 H new ATOM 0 HG LEU A 108 -4.482 5.358 -4.899 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -3.153 3.388 -4.256 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -2.934 3.801 -5.973 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -1.672 4.218 -4.789 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -3.623 5.152 -2.598 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -2.162 6.053 -3.067 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -3.751 6.853 -3.104 1.00 0.00 H new ATOM 1739 N LYS A 109 -2.282 10.007 -6.288 1.00 0.00 N ATOM 1740 CA LYS A 109 -1.910 10.942 -7.343 1.00 0.00 C ATOM 1741 C LYS A 109 -0.497 10.662 -7.845 1.00 0.00 C ATOM 1742 O LYS A 109 -0.311 10.125 -8.938 1.00 0.00 O ATOM 1743 CB LYS A 109 -2.005 12.381 -6.833 1.00 0.00 C ATOM 1744 CG LYS A 109 -3.378 13.003 -7.018 1.00 0.00 C ATOM 1745 CD LYS A 109 -3.536 14.265 -6.185 1.00 0.00 C ATOM 1746 CE LYS A 109 -4.786 15.038 -6.577 1.00 0.00 C ATOM 1747 NZ LYS A 109 -4.532 15.959 -7.720 1.00 0.00 N ATOM 0 H LYS A 109 -2.031 10.311 -5.347 1.00 0.00 H new ATOM 0 HA LYS A 109 -2.604 10.810 -8.173 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -1.747 12.400 -5.774 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -1.266 12.991 -7.352 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -3.532 13.239 -8.071 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -4.146 12.282 -6.737 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -3.586 14.001 -5.129 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -2.659 14.899 -6.314 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -5.578 14.338 -6.844 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -5.142 15.611 -5.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -5.408 16.468 -7.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -3.794 16.643 -7.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -4.216 15.410 -8.545 1.00 0.00 H new ATOM 1761 N TYR A 110 0.495 11.027 -7.041 1.00 0.00 N ATOM 1762 CA TYR A 110 1.891 10.815 -7.404 1.00 0.00 C ATOM 1763 C TYR A 110 2.569 9.860 -6.427 1.00 0.00 C ATOM 1764 O TYR A 110 2.241 9.806 -5.242 1.00 0.00 O ATOM 1765 CB TYR A 110 2.640 12.149 -7.434 1.00 0.00 C ATOM 1766 CG TYR A 110 1.848 13.275 -8.057 1.00 0.00 C ATOM 1767 CD1 TYR A 110 1.869 13.489 -9.430 1.00 0.00 C ATOM 1768 CD2 TYR A 110 1.077 14.124 -7.274 1.00 0.00 C ATOM 1769 CE1 TYR A 110 1.146 14.517 -10.004 1.00 0.00 C ATOM 1770 CE2 TYR A 110 0.350 15.155 -7.839 1.00 0.00 C ATOM 1771 CZ TYR A 110 0.388 15.347 -9.204 1.00 0.00 C ATOM 1772 OH TYR A 110 -0.334 16.372 -9.772 1.00 0.00 O ATOM 0 H TYR A 110 0.358 11.471 -6.133 1.00 0.00 H new ATOM 0 HA TYR A 110 1.918 10.368 -8.398 1.00 0.00 H new ATOM 0 HB2 TYR A 110 2.911 12.427 -6.415 1.00 0.00 H new ATOM 0 HB3 TYR A 110 3.570 12.021 -7.987 1.00 0.00 H new ATOM 0 HD1 TYR A 110 2.461 12.841 -10.059 1.00 0.00 H new ATOM 0 HD2 TYR A 110 1.045 13.976 -6.205 1.00 0.00 H new ATOM 0 HE1 TYR A 110 1.174 14.670 -11.073 1.00 0.00 H new ATOM 0 HE2 TYR A 110 -0.244 15.806 -7.215 1.00 0.00 H new ATOM 0 HH TYR A 110 -0.814 16.861 -9.072 1.00 0.00 H new ATOM 1782 N PRO A 111 3.540 9.086 -6.936 1.00 0.00 N ATOM 1783 CA PRO A 111 4.287 8.118 -6.127 1.00 0.00 C ATOM 1784 C PRO A 111 5.216 8.795 -5.126 1.00 0.00 C ATOM 1785 O PRO A 111 5.149 10.007 -4.923 1.00 0.00 O ATOM 1786 CB PRO A 111 5.097 7.338 -7.165 1.00 0.00 C ATOM 1787 CG PRO A 111 5.242 8.274 -8.315 1.00 0.00 C ATOM 1788 CD PRO A 111 3.983 9.097 -8.340 1.00 0.00 C ATOM 0 HA PRO A 111 3.627 7.494 -5.525 1.00 0.00 H new ATOM 0 HB2 PRO A 111 6.069 7.044 -6.769 1.00 0.00 H new ATOM 0 HB3 PRO A 111 4.584 6.423 -7.462 1.00 0.00 H new ATOM 0 HG2 PRO A 111 6.120 8.908 -8.194 1.00 0.00 H new ATOM 0 HG3 PRO A 111 5.370 7.727 -9.249 1.00 0.00 H new ATOM 0 HD2 PRO A 111 4.172 10.110 -8.694 1.00 0.00 H new ATOM 0 HD3 PRO A 111 3.233 8.664 -9.001 1.00 0.00 H new ATOM 1796 N TYR A 112 6.083 8.004 -4.503 1.00 0.00 N ATOM 1797 CA TYR A 112 7.025 8.527 -3.520 1.00 0.00 C ATOM 1798 C TYR A 112 8.418 8.673 -4.126 1.00 0.00 C ATOM 1799 O TYR A 112 8.614 8.453 -5.320 1.00 0.00 O ATOM 1800 CB TYR A 112 7.082 7.610 -2.298 1.00 0.00 C ATOM 1801 CG TYR A 112 8.084 6.486 -2.430 1.00 0.00 C ATOM 1802 CD1 TYR A 112 7.854 5.422 -3.292 1.00 0.00 C ATOM 1803 CD2 TYR A 112 9.261 6.488 -1.691 1.00 0.00 C ATOM 1804 CE1 TYR A 112 8.767 4.392 -3.415 1.00 0.00 C ATOM 1805 CE2 TYR A 112 10.180 5.464 -1.809 1.00 0.00 C ATOM 1806 CZ TYR A 112 9.928 4.418 -2.672 1.00 0.00 C ATOM 1807 OH TYR A 112 10.840 3.395 -2.791 1.00 0.00 O ATOM 0 H TYR A 112 6.153 6.999 -4.661 1.00 0.00 H new ATOM 0 HA TYR A 112 6.678 9.512 -3.210 1.00 0.00 H new ATOM 0 HB2 TYR A 112 7.330 8.205 -1.419 1.00 0.00 H new ATOM 0 HB3 TYR A 112 6.093 7.185 -2.127 1.00 0.00 H new ATOM 0 HD1 TYR A 112 6.946 5.399 -3.876 1.00 0.00 H new ATOM 0 HD2 TYR A 112 9.460 7.304 -1.013 1.00 0.00 H new ATOM 0 HE1 TYR A 112 8.572 3.571 -4.089 1.00 0.00 H new ATOM 0 HE2 TYR A 112 11.091 5.482 -1.229 1.00 0.00 H new ATOM 0 HH TYR A 112 11.603 3.567 -2.200 1.00 0.00 H new ATOM 1817 N SER A 113 9.383 9.045 -3.290 1.00 0.00 N ATOM 1818 CA SER A 113 10.758 9.224 -3.741 1.00 0.00 C ATOM 1819 C SER A 113 11.633 8.057 -3.293 1.00 0.00 C ATOM 1820 O SER A 113 11.851 7.852 -2.100 1.00 0.00 O ATOM 1821 CB SER A 113 11.327 10.537 -3.204 1.00 0.00 C ATOM 1822 OG SER A 113 12.708 10.654 -3.498 1.00 0.00 O ATOM 0 H SER A 113 9.238 9.228 -2.297 1.00 0.00 H new ATOM 0 HA SER A 113 10.755 9.257 -4.831 1.00 0.00 H new ATOM 0 HB2 SER A 113 10.787 11.377 -3.641 1.00 0.00 H new ATOM 0 HB3 SER A 113 11.176 10.588 -2.126 1.00 0.00 H new ATOM 0 HG SER A 113 13.047 11.503 -3.145 1.00 0.00 H new