USER MOD reduce.3.24.130724 H: found=0, std=0, add=994, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 995 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 68 ASN : amide:sc= 0.00239 X(o=0.011,f=0.0062) USER MOD Set 1.2: A 81 ASN : amide:sc= 0.00823 K(o=0.011,f=-2.2) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 CYS SG : rot 180:sc= -0.0111 USER MOD Single : A 16 GLN : amide:sc= -0.858 K(o=-0.86,f=-0.27) USER MOD Single : A 20 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 21 CYS SG : rot 130:sc= -3.97! USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc=-0.00253 X(o=-0.0025,f=0) USER MOD Single : A 28 HIS : no HD1:sc= -15! C(o=-15!,f=-16!) USER MOD Single : A 31 THR OG1 : rot -68:sc= 0.73 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -0.0299 X(o=-0.03,f=-0.37) USER MOD Single : A 42 GLN : amide:sc= -9.13! C(o=-9.1!,f=-6.7!) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 CYS SG : rot 120:sc= -2.85! USER MOD Single : A 52 GLN : amide:sc= -0.47 K(o=-0.47,f=-4.5!) USER MOD Single : A 55 ASN : amide:sc= -3.64! C(o=-3.6!,f=-20!) USER MOD Single : A 56 ASN : amide:sc= -1.34 X(o=-1.3,f=-1.2) USER MOD Single : A 60 HIS : no HD1:sc= 0 X(o=0,f=-0.0037) USER MOD Single : A 61 SER OG : rot 81:sc= 0.191 USER MOD Single : A 63 ASN : amide:sc= -0.768 K(o=-0.77,f=-1.7!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc= -0.424 K(o=-0.42,f=-1.1) USER MOD Single : A 78 CYS SG : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 86:sc= 0 USER MOD Single : A 87 THR OG1 : rot 61:sc= 0.497 USER MOD Single : A 89 CYS SG : rot 180:sc= -0.11 USER MOD Single : A 90 CYS SG : rot -10:sc= -1.26 USER MOD Single : A 92 THR OG1 : rot 163:sc= 0.474 USER MOD Single : A 95 MET CE :methyl 170:sc=-0.00751 (180deg=-0.164) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot -85:sc= 0.0892 USER MOD Single : A 125 THR OG1 : rot -56:sc= 1.22 USER MOD Single : A 131 THR OG1 : rot -70:sc= 0.32 USER MOD ----------------------------------------------------------------- ATOM 98 N PRO A 10 11.800 0.921 7.211 1.00 0.00 N ATOM 99 CA PRO A 10 11.296 -0.005 6.192 1.00 0.00 C ATOM 100 C PRO A 10 10.374 0.682 5.190 1.00 0.00 C ATOM 101 O PRO A 10 9.857 0.045 4.272 1.00 0.00 O ATOM 102 CB PRO A 10 10.521 -1.042 7.008 1.00 0.00 C ATOM 103 CG PRO A 10 10.120 -0.324 8.250 1.00 0.00 C ATOM 104 CD PRO A 10 11.226 0.653 8.540 1.00 0.00 C ATOM 0 HA PRO A 10 12.101 -0.429 5.592 1.00 0.00 H new ATOM 0 HB2 PRO A 10 9.650 -1.405 6.462 1.00 0.00 H new ATOM 0 HB3 PRO A 10 11.140 -1.910 7.235 1.00 0.00 H new ATOM 0 HG2 PRO A 10 9.170 0.192 8.113 1.00 0.00 H new ATOM 0 HG3 PRO A 10 9.988 -1.021 9.078 1.00 0.00 H new ATOM 0 HD2 PRO A 10 10.847 1.563 9.005 1.00 0.00 H new ATOM 0 HD3 PRO A 10 11.966 0.232 9.220 1.00 0.00 H new ATOM 112 N TRP A 11 10.174 1.982 5.372 1.00 0.00 N ATOM 113 CA TRP A 11 9.314 2.754 4.482 1.00 0.00 C ATOM 114 C TRP A 11 10.134 3.448 3.400 1.00 0.00 C ATOM 115 O TRP A 11 9.699 3.560 2.254 1.00 0.00 O ATOM 116 CB TRP A 11 8.520 3.790 5.280 1.00 0.00 C ATOM 117 CG TRP A 11 9.240 5.094 5.444 1.00 0.00 C ATOM 118 CD1 TRP A 11 9.940 5.511 6.539 1.00 0.00 C ATOM 119 CD2 TRP A 11 9.328 6.151 4.482 1.00 0.00 C ATOM 120 NE1 TRP A 11 10.459 6.764 6.316 1.00 0.00 N ATOM 121 CE2 TRP A 11 10.098 7.178 5.061 1.00 0.00 C ATOM 122 CE3 TRP A 11 8.833 6.328 3.187 1.00 0.00 C ATOM 123 CZ2 TRP A 11 10.382 8.364 4.389 1.00 0.00 C ATOM 124 CZ3 TRP A 11 9.115 7.506 2.522 1.00 0.00 C ATOM 125 CH2 TRP A 11 9.884 8.512 3.123 1.00 0.00 C ATOM 0 H TRP A 11 10.595 2.524 6.127 1.00 0.00 H new ATOM 0 HA TRP A 11 8.620 2.066 4.000 1.00 0.00 H new ATOM 0 HB2 TRP A 11 7.567 3.970 4.782 1.00 0.00 H new ATOM 0 HB3 TRP A 11 8.293 3.383 6.265 1.00 0.00 H new ATOM 0 HD1 TRP A 11 10.067 4.940 7.447 1.00 0.00 H new ATOM 0 HE1 TRP A 11 11.022 7.299 6.978 1.00 0.00 H new ATOM 0 HE3 TRP A 11 8.241 5.558 2.715 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 10.975 9.140 4.851 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 8.736 7.654 1.522 1.00 0.00 H new ATOM 0 HH2 TRP A 11 10.087 9.421 2.577 1.00 0.00 H new ATOM 136 N LYS A 12 11.322 3.913 3.771 1.00 0.00 N ATOM 137 CA LYS A 12 12.205 4.595 2.831 1.00 0.00 C ATOM 138 C LYS A 12 12.438 3.743 1.588 1.00 0.00 C ATOM 139 O LYS A 12 12.312 4.224 0.462 1.00 0.00 O ATOM 140 CB LYS A 12 13.543 4.919 3.499 1.00 0.00 C ATOM 141 CG LYS A 12 13.399 5.618 4.840 1.00 0.00 C ATOM 142 CD LYS A 12 14.526 6.610 5.075 1.00 0.00 C ATOM 143 CE LYS A 12 14.057 7.802 5.896 1.00 0.00 C ATOM 144 NZ LYS A 12 15.160 8.769 6.150 1.00 0.00 N ATOM 0 H LYS A 12 11.696 3.830 4.716 1.00 0.00 H new ATOM 0 HA LYS A 12 11.723 5.525 2.528 1.00 0.00 H new ATOM 0 HB2 LYS A 12 14.103 3.994 3.639 1.00 0.00 H new ATOM 0 HB3 LYS A 12 14.130 5.549 2.831 1.00 0.00 H new ATOM 0 HG2 LYS A 12 12.442 6.137 4.880 1.00 0.00 H new ATOM 0 HG3 LYS A 12 13.393 4.877 5.639 1.00 0.00 H new ATOM 0 HD2 LYS A 12 15.348 6.113 5.590 1.00 0.00 H new ATOM 0 HD3 LYS A 12 14.913 6.956 4.117 1.00 0.00 H new ATOM 0 HE2 LYS A 12 13.245 8.307 5.372 1.00 0.00 H new ATOM 0 HE3 LYS A 12 13.654 7.452 6.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 14.800 9.566 6.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 15.924 8.295 6.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 15.527 9.122 5.244 1.00 0.00 H new ATOM 158 N GLN A 13 12.779 2.475 1.800 1.00 0.00 N ATOM 159 CA GLN A 13 13.029 1.557 0.695 1.00 0.00 C ATOM 160 C GLN A 13 11.738 1.239 -0.052 1.00 0.00 C ATOM 161 O GLN A 13 11.686 1.314 -1.280 1.00 0.00 O ATOM 162 CB GLN A 13 13.665 0.265 1.212 1.00 0.00 C ATOM 163 CG GLN A 13 14.773 0.496 2.227 1.00 0.00 C ATOM 164 CD GLN A 13 15.639 -0.731 2.435 1.00 0.00 C ATOM 165 OE1 GLN A 13 16.502 -1.043 1.615 1.00 0.00 O ATOM 166 NE2 GLN A 13 15.411 -1.437 3.537 1.00 0.00 N ATOM 0 H GLN A 13 12.888 2.061 2.726 1.00 0.00 H new ATOM 0 HA GLN A 13 13.718 2.041 0.002 1.00 0.00 H new ATOM 0 HB2 GLN A 13 12.891 -0.355 1.666 1.00 0.00 H new ATOM 0 HB3 GLN A 13 14.068 -0.295 0.368 1.00 0.00 H new ATOM 0 HG2 GLN A 13 15.398 1.325 1.895 1.00 0.00 H new ATOM 0 HG3 GLN A 13 14.332 0.791 3.179 1.00 0.00 H new ATOM 0 HE21 GLN A 13 14.685 -1.142 4.190 1.00 0.00 H new ATOM 0 HE22 GLN A 13 15.962 -2.274 3.730 1.00 0.00 H new ATOM 175 N CYS A 14 10.700 0.884 0.697 1.00 0.00 N ATOM 176 CA CYS A 14 9.408 0.554 0.105 1.00 0.00 C ATOM 177 C CYS A 14 9.066 1.518 -1.026 1.00 0.00 C ATOM 178 O CYS A 14 8.632 1.102 -2.100 1.00 0.00 O ATOM 179 CB CYS A 14 8.312 0.588 1.171 1.00 0.00 C ATOM 180 SG CYS A 14 6.651 0.268 0.531 1.00 0.00 S ATOM 0 H CYS A 14 10.727 0.817 1.714 1.00 0.00 H new ATOM 0 HA CYS A 14 9.471 -0.453 -0.308 1.00 0.00 H new ATOM 0 HB2 CYS A 14 8.543 -0.151 1.938 1.00 0.00 H new ATOM 0 HB3 CYS A 14 8.321 1.564 1.656 1.00 0.00 H new ATOM 0 HG CYS A 14 5.793 0.316 1.507 1.00 0.00 H new ATOM 186 N ALA A 15 9.262 2.808 -0.776 1.00 0.00 N ATOM 187 CA ALA A 15 8.974 3.832 -1.773 1.00 0.00 C ATOM 188 C ALA A 15 9.426 3.390 -3.160 1.00 0.00 C ATOM 189 O ALA A 15 8.693 3.539 -4.138 1.00 0.00 O ATOM 190 CB ALA A 15 9.643 5.144 -1.391 1.00 0.00 C ATOM 0 H ALA A 15 9.619 3.169 0.109 1.00 0.00 H new ATOM 0 HA ALA A 15 7.895 3.982 -1.802 1.00 0.00 H new ATOM 0 HB1 ALA A 15 9.419 5.899 -2.144 1.00 0.00 H new ATOM 0 HB2 ALA A 15 9.268 5.475 -0.423 1.00 0.00 H new ATOM 0 HB3 ALA A 15 10.722 4.999 -1.332 1.00 0.00 H new ATOM 196 N GLN A 16 10.636 2.846 -3.238 1.00 0.00 N ATOM 197 CA GLN A 16 11.185 2.383 -4.507 1.00 0.00 C ATOM 198 C GLN A 16 10.247 1.383 -5.174 1.00 0.00 C ATOM 199 O GLN A 16 9.674 1.662 -6.227 1.00 0.00 O ATOM 200 CB GLN A 16 12.559 1.746 -4.290 1.00 0.00 C ATOM 201 CG GLN A 16 13.616 2.728 -3.810 1.00 0.00 C ATOM 202 CD GLN A 16 13.868 3.845 -4.803 1.00 0.00 C ATOM 203 OE1 GLN A 16 14.796 3.777 -5.610 1.00 0.00 O ATOM 204 NE2 GLN A 16 13.041 4.883 -4.749 1.00 0.00 N ATOM 0 H GLN A 16 11.255 2.715 -2.438 1.00 0.00 H new ATOM 0 HA GLN A 16 11.292 3.246 -5.164 1.00 0.00 H new ATOM 0 HB2 GLN A 16 12.466 0.940 -3.562 1.00 0.00 H new ATOM 0 HB3 GLN A 16 12.892 1.294 -5.224 1.00 0.00 H new ATOM 0 HG2 GLN A 16 13.303 3.157 -2.858 1.00 0.00 H new ATOM 0 HG3 GLN A 16 14.548 2.193 -3.627 1.00 0.00 H new ATOM 0 HE21 GLN A 16 12.285 4.898 -4.064 1.00 0.00 H new ATOM 0 HE22 GLN A 16 13.162 5.665 -5.392 1.00 0.00 H new ATOM 213 N TRP A 17 10.096 0.218 -4.554 1.00 0.00 N ATOM 214 CA TRP A 17 9.227 -0.824 -5.089 1.00 0.00 C ATOM 215 C TRP A 17 7.923 -0.231 -5.613 1.00 0.00 C ATOM 216 O TRP A 17 7.417 -0.644 -6.657 1.00 0.00 O ATOM 217 CB TRP A 17 8.929 -1.870 -4.013 1.00 0.00 C ATOM 218 CG TRP A 17 8.188 -3.064 -4.534 1.00 0.00 C ATOM 219 CD1 TRP A 17 8.666 -4.016 -5.389 1.00 0.00 C ATOM 220 CD2 TRP A 17 6.837 -3.432 -4.236 1.00 0.00 C ATOM 221 NE1 TRP A 17 7.693 -4.954 -5.640 1.00 0.00 N ATOM 222 CE2 TRP A 17 6.562 -4.619 -4.944 1.00 0.00 C ATOM 223 CE3 TRP A 17 5.834 -2.876 -3.438 1.00 0.00 C ATOM 224 CZ2 TRP A 17 5.326 -5.255 -4.877 1.00 0.00 C ATOM 225 CZ3 TRP A 17 4.607 -3.509 -3.373 1.00 0.00 C ATOM 226 CH2 TRP A 17 4.362 -4.689 -4.088 1.00 0.00 C ATOM 0 H TRP A 17 10.563 -0.029 -3.682 1.00 0.00 H new ATOM 0 HA TRP A 17 9.746 -1.303 -5.919 1.00 0.00 H new ATOM 0 HB2 TRP A 17 9.867 -2.200 -3.567 1.00 0.00 H new ATOM 0 HB3 TRP A 17 8.344 -1.407 -3.218 1.00 0.00 H new ATOM 0 HD1 TRP A 17 9.662 -4.030 -5.806 1.00 0.00 H new ATOM 0 HE1 TRP A 17 7.797 -5.768 -6.246 1.00 0.00 H new ATOM 0 HE3 TRP A 17 6.014 -1.968 -2.882 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 5.134 -6.164 -5.429 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 3.824 -3.087 -2.761 1.00 0.00 H new ATOM 0 HH2 TRP A 17 3.393 -5.161 -4.015 1.00 0.00 H new ATOM 237 N LEU A 18 7.385 0.739 -4.882 1.00 0.00 N ATOM 238 CA LEU A 18 6.139 1.390 -5.274 1.00 0.00 C ATOM 239 C LEU A 18 6.291 2.090 -6.620 1.00 0.00 C ATOM 240 O LEU A 18 5.499 1.872 -7.538 1.00 0.00 O ATOM 241 CB LEU A 18 5.710 2.398 -4.207 1.00 0.00 C ATOM 242 CG LEU A 18 5.281 1.810 -2.862 1.00 0.00 C ATOM 243 CD1 LEU A 18 5.443 2.839 -1.754 1.00 0.00 C ATOM 244 CD2 LEU A 18 3.842 1.319 -2.930 1.00 0.00 C ATOM 0 H LEU A 18 7.791 1.092 -4.016 1.00 0.00 H new ATOM 0 HA LEU A 18 5.371 0.623 -5.369 1.00 0.00 H new ATOM 0 HB2 LEU A 18 6.537 3.086 -4.033 1.00 0.00 H new ATOM 0 HB3 LEU A 18 4.883 2.987 -4.604 1.00 0.00 H new ATOM 0 HG LEU A 18 5.924 0.959 -2.637 1.00 0.00 H new ATOM 0 HD11 LEU A 18 5.133 2.403 -0.804 1.00 0.00 H new ATOM 0 HD12 LEU A 18 6.488 3.143 -1.690 1.00 0.00 H new ATOM 0 HD13 LEU A 18 4.825 3.710 -1.973 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.553 0.904 -1.964 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.185 2.152 -3.178 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.756 0.549 -3.696 1.00 0.00 H new ATOM 256 N ILE A 19 7.314 2.931 -6.732 1.00 0.00 N ATOM 257 CA ILE A 19 7.571 3.661 -7.967 1.00 0.00 C ATOM 258 C ILE A 19 7.737 2.706 -9.145 1.00 0.00 C ATOM 259 O ILE A 19 7.314 3.003 -10.263 1.00 0.00 O ATOM 260 CB ILE A 19 8.832 4.538 -7.851 1.00 0.00 C ATOM 261 CG1 ILE A 19 8.710 5.487 -6.657 1.00 0.00 C ATOM 262 CG2 ILE A 19 9.053 5.321 -9.136 1.00 0.00 C ATOM 263 CD1 ILE A 19 10.022 6.125 -6.256 1.00 0.00 C ATOM 0 H ILE A 19 7.978 3.124 -5.982 1.00 0.00 H new ATOM 0 HA ILE A 19 6.707 4.302 -8.140 1.00 0.00 H new ATOM 0 HB ILE A 19 9.694 3.890 -7.691 1.00 0.00 H new ATOM 0 HG12 ILE A 19 7.993 6.271 -6.898 1.00 0.00 H new ATOM 0 HG13 ILE A 19 8.307 4.938 -5.806 1.00 0.00 H new ATOM 0 HG21 ILE A 19 9.948 5.936 -9.038 1.00 0.00 H new ATOM 0 HG22 ILE A 19 9.178 4.628 -9.968 1.00 0.00 H new ATOM 0 HG23 ILE A 19 8.191 5.962 -9.324 1.00 0.00 H new ATOM 0 HD11 ILE A 19 9.860 6.785 -5.404 1.00 0.00 H new ATOM 0 HD12 ILE A 19 10.736 5.348 -5.983 1.00 0.00 H new ATOM 0 HD13 ILE A 19 10.416 6.702 -7.092 1.00 0.00 H new ATOM 275 N HIS A 20 8.354 1.558 -8.887 1.00 0.00 N ATOM 276 CA HIS A 20 8.574 0.558 -9.926 1.00 0.00 C ATOM 277 C HIS A 20 7.295 -0.226 -10.204 1.00 0.00 C ATOM 278 O HIS A 20 7.063 -0.675 -11.328 1.00 0.00 O ATOM 279 CB HIS A 20 9.693 -0.399 -9.513 1.00 0.00 C ATOM 280 CG HIS A 20 11.064 0.107 -9.839 1.00 0.00 C ATOM 281 ND1 HIS A 20 11.745 -0.248 -10.985 1.00 0.00 N ATOM 282 CD2 HIS A 20 11.882 0.947 -9.163 1.00 0.00 C ATOM 283 CE1 HIS A 20 12.922 0.350 -10.998 1.00 0.00 C ATOM 284 NE2 HIS A 20 13.030 1.082 -9.904 1.00 0.00 N ATOM 0 H HIS A 20 8.711 1.297 -7.968 1.00 0.00 H new ATOM 0 HA HIS A 20 8.868 1.076 -10.839 1.00 0.00 H new ATOM 0 HB2 HIS A 20 9.627 -0.581 -8.440 1.00 0.00 H new ATOM 0 HB3 HIS A 20 9.541 -1.358 -10.008 1.00 0.00 H new ATOM 0 HD2 HIS A 20 11.671 1.423 -8.217 1.00 0.00 H new ATOM 0 HE1 HIS A 20 13.670 0.256 -11.772 1.00 0.00 H new ATOM 0 HE2 HIS A 20 13.835 1.655 -9.651 1.00 0.00 H new ATOM 293 N CYS A 21 6.470 -0.388 -9.176 1.00 0.00 N ATOM 294 CA CYS A 21 5.215 -1.119 -9.310 1.00 0.00 C ATOM 295 C CYS A 21 4.200 -0.315 -10.115 1.00 0.00 C ATOM 296 O CYS A 21 3.071 -0.756 -10.330 1.00 0.00 O ATOM 297 CB CYS A 21 4.644 -1.449 -7.930 1.00 0.00 C ATOM 298 SG CYS A 21 5.507 -2.788 -7.074 1.00 0.00 S ATOM 0 H CYS A 21 6.647 -0.023 -8.240 1.00 0.00 H new ATOM 0 HA CYS A 21 5.419 -2.048 -9.843 1.00 0.00 H new ATOM 0 HB2 CYS A 21 4.680 -0.553 -7.310 1.00 0.00 H new ATOM 0 HB3 CYS A 21 3.594 -1.719 -8.039 1.00 0.00 H new ATOM 0 HG CYS A 21 5.810 -2.408 -5.868 1.00 0.00 H new ATOM 304 N LYS A 22 4.609 0.870 -10.557 1.00 0.00 N ATOM 305 CA LYS A 22 3.737 1.738 -11.339 1.00 0.00 C ATOM 306 C LYS A 22 2.583 2.259 -10.487 1.00 0.00 C ATOM 307 O LYS A 22 1.420 2.170 -10.880 1.00 0.00 O ATOM 308 CB LYS A 22 3.189 0.985 -12.553 1.00 0.00 C ATOM 309 CG LYS A 22 4.260 0.277 -13.364 1.00 0.00 C ATOM 310 CD LYS A 22 5.089 1.261 -14.173 1.00 0.00 C ATOM 311 CE LYS A 22 5.713 0.596 -15.390 1.00 0.00 C ATOM 312 NZ LYS A 22 6.401 1.582 -16.269 1.00 0.00 N ATOM 0 H LYS A 22 5.540 1.251 -10.387 1.00 0.00 H new ATOM 0 HA LYS A 22 4.326 2.589 -11.682 1.00 0.00 H new ATOM 0 HB2 LYS A 22 2.457 0.252 -12.215 1.00 0.00 H new ATOM 0 HB3 LYS A 22 2.662 1.688 -13.198 1.00 0.00 H new ATOM 0 HG2 LYS A 22 4.912 -0.285 -12.695 1.00 0.00 H new ATOM 0 HG3 LYS A 22 3.793 -0.444 -14.035 1.00 0.00 H new ATOM 0 HD2 LYS A 22 4.460 2.091 -14.493 1.00 0.00 H new ATOM 0 HD3 LYS A 22 5.874 1.680 -13.544 1.00 0.00 H new ATOM 0 HE2 LYS A 22 6.427 -0.160 -15.064 1.00 0.00 H new ATOM 0 HE3 LYS A 22 4.939 0.080 -15.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 6.813 1.090 -17.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 5.715 2.290 -16.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 7.156 2.056 -15.734 1.00 0.00 H new ATOM 326 N VAL A 23 2.913 2.803 -9.321 1.00 0.00 N ATOM 327 CA VAL A 23 1.905 3.341 -8.415 1.00 0.00 C ATOM 328 C VAL A 23 2.249 4.764 -7.992 1.00 0.00 C ATOM 329 O VAL A 23 1.362 5.574 -7.718 1.00 0.00 O ATOM 330 CB VAL A 23 1.757 2.465 -7.157 1.00 0.00 C ATOM 331 CG1 VAL A 23 1.305 1.062 -7.533 1.00 0.00 C ATOM 332 CG2 VAL A 23 3.064 2.423 -6.380 1.00 0.00 C ATOM 0 H VAL A 23 3.871 2.883 -8.981 1.00 0.00 H new ATOM 0 HA VAL A 23 0.961 3.346 -8.959 1.00 0.00 H new ATOM 0 HB VAL A 23 0.994 2.907 -6.516 1.00 0.00 H new ATOM 0 HG11 VAL A 23 1.206 0.458 -6.631 1.00 0.00 H new ATOM 0 HG12 VAL A 23 0.343 1.114 -8.042 1.00 0.00 H new ATOM 0 HG13 VAL A 23 2.042 0.608 -8.195 1.00 0.00 H new ATOM 0 HG21 VAL A 23 2.941 1.800 -5.494 1.00 0.00 H new ATOM 0 HG22 VAL A 23 3.849 2.006 -7.011 1.00 0.00 H new ATOM 0 HG23 VAL A 23 3.340 3.433 -6.077 1.00 0.00 H new ATOM 342 N LEU A 24 3.542 5.064 -7.942 1.00 0.00 N ATOM 343 CA LEU A 24 4.005 6.392 -7.553 1.00 0.00 C ATOM 344 C LEU A 24 5.021 6.930 -8.555 1.00 0.00 C ATOM 345 O LEU A 24 5.803 6.184 -9.145 1.00 0.00 O ATOM 346 CB LEU A 24 4.625 6.348 -6.155 1.00 0.00 C ATOM 347 CG LEU A 24 3.648 6.174 -4.992 1.00 0.00 C ATOM 348 CD1 LEU A 24 4.393 5.810 -3.718 1.00 0.00 C ATOM 349 CD2 LEU A 24 2.828 7.440 -4.790 1.00 0.00 C ATOM 0 H LEU A 24 4.289 4.406 -8.166 1.00 0.00 H new ATOM 0 HA LEU A 24 3.144 7.061 -7.542 1.00 0.00 H new ATOM 0 HB2 LEU A 24 5.344 5.530 -6.124 1.00 0.00 H new ATOM 0 HB3 LEU A 24 5.184 7.270 -5.998 1.00 0.00 H new ATOM 0 HG LEU A 24 2.966 5.359 -5.235 1.00 0.00 H new ATOM 0 HD11 LEU A 24 3.681 5.690 -2.902 1.00 0.00 H new ATOM 0 HD12 LEU A 24 4.934 4.876 -3.867 1.00 0.00 H new ATOM 0 HD13 LEU A 24 5.099 6.603 -3.470 1.00 0.00 H new ATOM 0 HD21 LEU A 24 2.138 7.298 -3.958 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.495 8.274 -4.570 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.263 7.656 -5.697 1.00 0.00 H new ATOM 361 N PRO A 25 5.012 8.257 -8.753 1.00 0.00 N ATOM 362 CA PRO A 25 5.929 8.925 -9.682 1.00 0.00 C ATOM 363 C PRO A 25 7.370 8.909 -9.186 1.00 0.00 C ATOM 364 O PRO A 25 7.624 8.817 -7.984 1.00 0.00 O ATOM 365 CB PRO A 25 5.397 10.359 -9.735 1.00 0.00 C ATOM 366 CG PRO A 25 4.687 10.548 -8.439 1.00 0.00 C ATOM 367 CD PRO A 25 4.108 9.207 -8.084 1.00 0.00 C ATOM 0 HA PRO A 25 5.958 8.430 -10.653 1.00 0.00 H new ATOM 0 HB2 PRO A 25 6.208 11.078 -9.851 1.00 0.00 H new ATOM 0 HB3 PRO A 25 4.723 10.500 -10.580 1.00 0.00 H new ATOM 0 HG2 PRO A 25 5.373 10.894 -7.665 1.00 0.00 H new ATOM 0 HG3 PRO A 25 3.903 11.300 -8.530 1.00 0.00 H new ATOM 0 HD2 PRO A 25 4.088 9.051 -7.005 1.00 0.00 H new ATOM 0 HD3 PRO A 25 3.083 9.105 -8.440 1.00 0.00 H new ATOM 375 N THR A 26 8.314 9.000 -10.118 1.00 0.00 N ATOM 376 CA THR A 26 9.730 8.996 -9.776 1.00 0.00 C ATOM 377 C THR A 26 10.104 10.233 -8.968 1.00 0.00 C ATOM 378 O THR A 26 11.051 10.211 -8.183 1.00 0.00 O ATOM 379 CB THR A 26 10.613 8.934 -11.036 1.00 0.00 C ATOM 380 OG1 THR A 26 10.428 10.117 -11.822 1.00 0.00 O ATOM 381 CG2 THR A 26 10.279 7.707 -11.871 1.00 0.00 C ATOM 0 H THR A 26 8.122 9.077 -11.117 1.00 0.00 H new ATOM 0 HA THR A 26 9.906 8.105 -9.174 1.00 0.00 H new ATOM 0 HB THR A 26 11.654 8.867 -10.721 1.00 0.00 H new ATOM 0 HG1 THR A 26 10.994 10.071 -12.621 1.00 0.00 H new ATOM 0 HG21 THR A 26 10.915 7.685 -12.756 1.00 0.00 H new ATOM 0 HG22 THR A 26 10.448 6.807 -11.279 1.00 0.00 H new ATOM 0 HG23 THR A 26 9.234 7.749 -12.177 1.00 0.00 H new ATOM 389 N ASN A 27 9.353 11.312 -9.165 1.00 0.00 N ATOM 390 CA ASN A 27 9.606 12.560 -8.453 1.00 0.00 C ATOM 391 C ASN A 27 8.525 12.820 -7.409 1.00 0.00 C ATOM 392 O ASN A 27 8.302 13.960 -7.001 1.00 0.00 O ATOM 393 CB ASN A 27 9.671 13.729 -9.438 1.00 0.00 C ATOM 394 CG ASN A 27 11.068 13.945 -9.988 1.00 0.00 C ATOM 395 OD1 ASN A 27 11.335 13.671 -11.158 1.00 0.00 O ATOM 396 ND2 ASN A 27 11.966 14.439 -9.144 1.00 0.00 N ATOM 0 H ASN A 27 8.565 11.347 -9.811 1.00 0.00 H new ATOM 0 HA ASN A 27 10.565 12.470 -7.942 1.00 0.00 H new ATOM 0 HB2 ASN A 27 8.983 13.544 -10.263 1.00 0.00 H new ATOM 0 HB3 ASN A 27 9.335 14.639 -8.941 1.00 0.00 H new ATOM 0 HD21 ASN A 27 12.922 14.606 -9.457 1.00 0.00 H new ATOM 0 HD22 ASN A 27 11.700 14.651 -8.183 1.00 0.00 H new ATOM 403 N HIS A 28 7.857 11.754 -6.979 1.00 0.00 N ATOM 404 CA HIS A 28 6.800 11.866 -5.981 1.00 0.00 C ATOM 405 C HIS A 28 7.267 12.689 -4.784 1.00 0.00 C ATOM 406 O HIS A 28 8.417 13.126 -4.730 1.00 0.00 O ATOM 407 CB HIS A 28 6.356 10.478 -5.518 1.00 0.00 C ATOM 408 CG HIS A 28 4.954 10.441 -4.993 1.00 0.00 C ATOM 409 ND1 HIS A 28 4.605 9.800 -3.823 1.00 0.00 N ATOM 410 CD2 HIS A 28 3.810 10.971 -5.486 1.00 0.00 C ATOM 411 CE1 HIS A 28 3.307 9.937 -3.619 1.00 0.00 C ATOM 412 NE2 HIS A 28 2.801 10.643 -4.614 1.00 0.00 N ATOM 0 H HIS A 28 8.029 10.803 -7.306 1.00 0.00 H new ATOM 0 HA HIS A 28 5.953 12.375 -6.441 1.00 0.00 H new ATOM 0 HB2 HIS A 28 6.441 9.781 -6.352 1.00 0.00 H new ATOM 0 HB3 HIS A 28 7.036 10.129 -4.741 1.00 0.00 H new ATOM 0 HD2 HIS A 28 3.710 11.545 -6.395 1.00 0.00 H new ATOM 0 HE1 HIS A 28 2.754 9.539 -2.781 1.00 0.00 H new ATOM 0 HE2 HIS A 28 1.820 10.902 -4.718 1.00 0.00 H new ATOM 421 N ARG A 29 6.369 12.895 -3.827 1.00 0.00 N ATOM 422 CA ARG A 29 6.689 13.667 -2.632 1.00 0.00 C ATOM 423 C ARG A 29 7.301 12.774 -1.556 1.00 0.00 C ATOM 424 O ARG A 29 7.912 13.261 -0.604 1.00 0.00 O ATOM 425 CB ARG A 29 5.433 14.351 -2.088 1.00 0.00 C ATOM 426 CG ARG A 29 4.174 13.512 -2.230 1.00 0.00 C ATOM 427 CD ARG A 29 3.492 13.753 -3.568 1.00 0.00 C ATOM 428 NE ARG A 29 2.521 14.842 -3.499 1.00 0.00 N ATOM 429 CZ ARG A 29 1.785 15.236 -4.532 1.00 0.00 C ATOM 430 NH1 ARG A 29 1.908 14.634 -5.707 1.00 0.00 N ATOM 431 NH2 ARG A 29 0.923 16.235 -4.391 1.00 0.00 N ATOM 0 H ARG A 29 5.414 12.538 -3.855 1.00 0.00 H new ATOM 0 HA ARG A 29 7.419 14.429 -2.907 1.00 0.00 H new ATOM 0 HB2 ARG A 29 5.585 14.587 -1.035 1.00 0.00 H new ATOM 0 HB3 ARG A 29 5.290 15.297 -2.610 1.00 0.00 H new ATOM 0 HG2 ARG A 29 4.426 12.456 -2.134 1.00 0.00 H new ATOM 0 HG3 ARG A 29 3.484 13.750 -1.421 1.00 0.00 H new ATOM 0 HD2 ARG A 29 4.244 13.985 -4.322 1.00 0.00 H new ATOM 0 HD3 ARG A 29 2.991 12.840 -3.889 1.00 0.00 H new ATOM 0 HE ARG A 29 2.402 15.326 -2.609 1.00 0.00 H new ATOM 0 HH11 ARG A 29 2.569 13.866 -5.820 1.00 0.00 H new ATOM 0 HH12 ARG A 29 1.341 14.939 -6.498 1.00 0.00 H new ATOM 0 HH21 ARG A 29 0.825 16.701 -3.489 1.00 0.00 H new ATOM 0 HH22 ARG A 29 0.358 16.537 -5.185 1.00 0.00 H new ATOM 445 N VAL A 30 7.132 11.465 -1.714 1.00 0.00 N ATOM 446 CA VAL A 30 7.668 10.504 -0.757 1.00 0.00 C ATOM 447 C VAL A 30 9.142 10.224 -1.026 1.00 0.00 C ATOM 448 O VAL A 30 9.837 9.639 -0.195 1.00 0.00 O ATOM 449 CB VAL A 30 6.888 9.177 -0.798 1.00 0.00 C ATOM 450 CG1 VAL A 30 5.404 9.421 -0.568 1.00 0.00 C ATOM 451 CG2 VAL A 30 7.120 8.464 -2.122 1.00 0.00 C ATOM 0 H VAL A 30 6.628 11.046 -2.496 1.00 0.00 H new ATOM 0 HA VAL A 30 7.561 10.949 0.232 1.00 0.00 H new ATOM 0 HB VAL A 30 7.254 8.536 0.004 1.00 0.00 H new ATOM 0 HG11 VAL A 30 4.870 8.471 -0.601 1.00 0.00 H new ATOM 0 HG12 VAL A 30 5.259 9.886 0.407 1.00 0.00 H new ATOM 0 HG13 VAL A 30 5.019 10.081 -1.346 1.00 0.00 H new ATOM 0 HG21 VAL A 30 6.561 7.528 -2.134 1.00 0.00 H new ATOM 0 HG22 VAL A 30 6.782 9.099 -2.941 1.00 0.00 H new ATOM 0 HG23 VAL A 30 8.183 8.254 -2.241 1.00 0.00 H new ATOM 461 N THR A 31 9.615 10.645 -2.195 1.00 0.00 N ATOM 462 CA THR A 31 11.006 10.439 -2.576 1.00 0.00 C ATOM 463 C THR A 31 11.904 11.520 -1.984 1.00 0.00 C ATOM 464 O THR A 31 13.112 11.328 -1.842 1.00 0.00 O ATOM 465 CB THR A 31 11.175 10.430 -4.107 1.00 0.00 C ATOM 466 OG1 THR A 31 10.811 11.705 -4.647 1.00 0.00 O ATOM 467 CG2 THR A 31 10.319 9.343 -4.739 1.00 0.00 C ATOM 0 H THR A 31 9.054 11.131 -2.895 1.00 0.00 H new ATOM 0 HA THR A 31 11.301 9.467 -2.180 1.00 0.00 H new ATOM 0 HB THR A 31 12.221 10.225 -4.334 1.00 0.00 H new ATOM 0 HG1 THR A 31 9.847 11.843 -4.540 1.00 0.00 H new ATOM 0 HG21 THR A 31 10.455 9.356 -5.820 1.00 0.00 H new ATOM 0 HG22 THR A 31 10.618 8.371 -4.347 1.00 0.00 H new ATOM 0 HG23 THR A 31 9.270 9.522 -4.503 1.00 0.00 H new ATOM 475 N TRP A 32 11.307 12.655 -1.639 1.00 0.00 N ATOM 476 CA TRP A 32 12.054 13.767 -1.061 1.00 0.00 C ATOM 477 C TRP A 32 12.780 13.333 0.207 1.00 0.00 C ATOM 478 O TRP A 32 12.319 12.444 0.924 1.00 0.00 O ATOM 479 CB TRP A 32 11.114 14.933 -0.753 1.00 0.00 C ATOM 480 CG TRP A 32 10.782 15.763 -1.956 1.00 0.00 C ATOM 481 CD1 TRP A 32 10.623 15.320 -3.238 1.00 0.00 C ATOM 482 CD2 TRP A 32 10.571 17.179 -1.989 1.00 0.00 C ATOM 483 NE1 TRP A 32 10.325 16.375 -4.066 1.00 0.00 N ATOM 484 CE2 TRP A 32 10.287 17.526 -3.325 1.00 0.00 C ATOM 485 CE3 TRP A 32 10.592 18.186 -1.021 1.00 0.00 C ATOM 486 CZ2 TRP A 32 10.028 18.838 -3.713 1.00 0.00 C ATOM 487 CZ3 TRP A 32 10.335 19.487 -1.408 1.00 0.00 C ATOM 488 CH2 TRP A 32 10.055 19.804 -2.744 1.00 0.00 C ATOM 0 H TRP A 32 10.308 12.830 -1.749 1.00 0.00 H new ATOM 0 HA TRP A 32 12.797 14.092 -1.789 1.00 0.00 H new ATOM 0 HB2 TRP A 32 10.191 14.543 -0.324 1.00 0.00 H new ATOM 0 HB3 TRP A 32 11.573 15.570 0.003 1.00 0.00 H new ATOM 0 HD1 TRP A 32 10.718 14.292 -3.554 1.00 0.00 H new ATOM 0 HE1 TRP A 32 10.159 16.311 -5.070 1.00 0.00 H new ATOM 0 HE3 TRP A 32 10.805 17.952 0.011 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 9.813 19.085 -4.742 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 10.350 20.274 -0.668 1.00 0.00 H new ATOM 0 HH2 TRP A 32 9.857 20.831 -3.014 1.00 0.00 H new ATOM 499 N ASP A 33 13.916 13.966 0.479 1.00 0.00 N ATOM 500 CA ASP A 33 14.705 13.646 1.663 1.00 0.00 C ATOM 501 C ASP A 33 14.022 14.162 2.927 1.00 0.00 C ATOM 502 O ASP A 33 14.368 13.762 4.038 1.00 0.00 O ATOM 503 CB ASP A 33 16.107 14.246 1.545 1.00 0.00 C ATOM 504 CG ASP A 33 16.078 15.719 1.190 1.00 0.00 C ATOM 505 OD1 ASP A 33 15.580 16.518 2.011 1.00 0.00 O ATOM 506 OD2 ASP A 33 16.555 16.074 0.092 1.00 0.00 O ATOM 0 H ASP A 33 14.311 14.704 -0.104 1.00 0.00 H new ATOM 0 HA ASP A 33 14.787 12.561 1.733 1.00 0.00 H new ATOM 0 HB2 ASP A 33 16.637 14.113 2.488 1.00 0.00 H new ATOM 0 HB3 ASP A 33 16.669 13.703 0.785 1.00 0.00 H new ATOM 511 N SER A 34 13.052 15.052 2.748 1.00 0.00 N ATOM 512 CA SER A 34 12.324 15.626 3.873 1.00 0.00 C ATOM 513 C SER A 34 10.963 14.957 4.039 1.00 0.00 C ATOM 514 O SER A 34 10.051 15.522 4.641 1.00 0.00 O ATOM 515 CB SER A 34 12.144 17.133 3.676 1.00 0.00 C ATOM 516 OG SER A 34 12.052 17.803 4.922 1.00 0.00 O ATOM 0 H SER A 34 12.752 15.391 1.834 1.00 0.00 H new ATOM 0 HA SER A 34 12.907 15.452 4.777 1.00 0.00 H new ATOM 0 HB2 SER A 34 12.984 17.531 3.106 1.00 0.00 H new ATOM 0 HB3 SER A 34 11.244 17.322 3.091 1.00 0.00 H new ATOM 0 HG SER A 34 11.939 18.764 4.769 1.00 0.00 H new ATOM 522 N ALA A 35 10.836 13.749 3.499 1.00 0.00 N ATOM 523 CA ALA A 35 9.588 13.001 3.587 1.00 0.00 C ATOM 524 C ALA A 35 9.609 12.036 4.768 1.00 0.00 C ATOM 525 O ALA A 35 10.675 11.666 5.259 1.00 0.00 O ATOM 526 CB ALA A 35 9.332 12.246 2.291 1.00 0.00 C ATOM 0 H ALA A 35 11.582 13.268 2.996 1.00 0.00 H new ATOM 0 HA ALA A 35 8.777 13.712 3.746 1.00 0.00 H new ATOM 0 HB1 ALA A 35 8.397 11.692 2.371 1.00 0.00 H new ATOM 0 HB2 ALA A 35 9.265 12.954 1.465 1.00 0.00 H new ATOM 0 HB3 ALA A 35 10.151 11.551 2.107 1.00 0.00 H new ATOM 532 N GLN A 36 8.425 11.633 5.219 1.00 0.00 N ATOM 533 CA GLN A 36 8.309 10.713 6.343 1.00 0.00 C ATOM 534 C GLN A 36 7.212 9.683 6.093 1.00 0.00 C ATOM 535 O GLN A 36 6.350 9.875 5.235 1.00 0.00 O ATOM 536 CB GLN A 36 8.019 11.483 7.632 1.00 0.00 C ATOM 537 CG GLN A 36 9.097 12.490 7.996 1.00 0.00 C ATOM 538 CD GLN A 36 8.585 13.593 8.900 1.00 0.00 C ATOM 539 OE1 GLN A 36 7.535 14.184 8.644 1.00 0.00 O ATOM 540 NE2 GLN A 36 9.325 13.877 9.966 1.00 0.00 N ATOM 0 H GLN A 36 7.533 11.930 4.823 1.00 0.00 H new ATOM 0 HA GLN A 36 9.258 10.187 6.449 1.00 0.00 H new ATOM 0 HB2 GLN A 36 7.067 12.004 7.527 1.00 0.00 H new ATOM 0 HB3 GLN A 36 7.905 10.773 8.451 1.00 0.00 H new ATOM 0 HG2 GLN A 36 9.919 11.973 8.490 1.00 0.00 H new ATOM 0 HG3 GLN A 36 9.500 12.931 7.084 1.00 0.00 H new ATOM 0 HE21 GLN A 36 10.188 13.362 10.140 1.00 0.00 H new ATOM 0 HE22 GLN A 36 9.030 14.610 10.611 1.00 0.00 H new ATOM 549 N VAL A 37 7.249 8.590 6.848 1.00 0.00 N ATOM 550 CA VAL A 37 6.258 7.530 6.709 1.00 0.00 C ATOM 551 C VAL A 37 4.873 8.107 6.436 1.00 0.00 C ATOM 552 O VAL A 37 4.181 7.678 5.512 1.00 0.00 O ATOM 553 CB VAL A 37 6.196 6.650 7.972 1.00 0.00 C ATOM 554 CG1 VAL A 37 7.343 5.651 7.983 1.00 0.00 C ATOM 555 CG2 VAL A 37 6.217 7.513 9.224 1.00 0.00 C ATOM 0 H VAL A 37 7.955 8.415 7.563 1.00 0.00 H new ATOM 0 HA VAL A 37 6.567 6.916 5.863 1.00 0.00 H new ATOM 0 HB VAL A 37 5.260 6.092 7.960 1.00 0.00 H new ATOM 0 HG11 VAL A 37 7.283 5.038 8.882 1.00 0.00 H new ATOM 0 HG12 VAL A 37 7.277 5.011 7.103 1.00 0.00 H new ATOM 0 HG13 VAL A 37 8.292 6.187 7.972 1.00 0.00 H new ATOM 0 HG21 VAL A 37 6.173 6.875 10.107 1.00 0.00 H new ATOM 0 HG22 VAL A 37 7.135 8.100 9.246 1.00 0.00 H new ATOM 0 HG23 VAL A 37 5.358 8.184 9.218 1.00 0.00 H new ATOM 565 N PHE A 38 4.473 9.081 7.247 1.00 0.00 N ATOM 566 CA PHE A 38 3.169 9.716 7.094 1.00 0.00 C ATOM 567 C PHE A 38 2.867 9.989 5.623 1.00 0.00 C ATOM 568 O PHE A 38 1.909 9.452 5.065 1.00 0.00 O ATOM 569 CB PHE A 38 3.119 11.023 7.887 1.00 0.00 C ATOM 570 CG PHE A 38 1.775 11.694 7.854 1.00 0.00 C ATOM 571 CD1 PHE A 38 0.611 10.945 7.918 1.00 0.00 C ATOM 572 CD2 PHE A 38 1.677 13.073 7.758 1.00 0.00 C ATOM 573 CE1 PHE A 38 -0.626 11.560 7.887 1.00 0.00 C ATOM 574 CE2 PHE A 38 0.442 13.693 7.727 1.00 0.00 C ATOM 575 CZ PHE A 38 -0.711 12.935 7.792 1.00 0.00 C ATOM 0 H PHE A 38 5.033 9.448 8.017 1.00 0.00 H new ATOM 0 HA PHE A 38 2.412 9.034 7.482 1.00 0.00 H new ATOM 0 HB2 PHE A 38 3.390 10.820 8.923 1.00 0.00 H new ATOM 0 HB3 PHE A 38 3.868 11.708 7.490 1.00 0.00 H new ATOM 0 HD1 PHE A 38 0.671 9.869 7.993 1.00 0.00 H new ATOM 0 HD2 PHE A 38 2.576 13.670 7.707 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -1.526 10.965 7.937 1.00 0.00 H new ATOM 0 HE2 PHE A 38 0.379 14.769 7.652 1.00 0.00 H new ATOM 0 HZ PHE A 38 -1.677 13.417 7.769 1.00 0.00 H new ATOM 585 N ASP A 39 3.689 10.827 5.002 1.00 0.00 N ATOM 586 CA ASP A 39 3.511 11.172 3.596 1.00 0.00 C ATOM 587 C ASP A 39 3.068 9.954 2.790 1.00 0.00 C ATOM 588 O ASP A 39 2.010 9.966 2.159 1.00 0.00 O ATOM 589 CB ASP A 39 4.809 11.736 3.019 1.00 0.00 C ATOM 590 CG ASP A 39 4.563 12.724 1.895 1.00 0.00 C ATOM 591 OD1 ASP A 39 3.599 13.511 1.999 1.00 0.00 O ATOM 592 OD2 ASP A 39 5.333 12.709 0.912 1.00 0.00 O ATOM 0 H ASP A 39 4.485 11.280 5.450 1.00 0.00 H new ATOM 0 HA ASP A 39 2.733 11.932 3.529 1.00 0.00 H new ATOM 0 HB2 ASP A 39 5.373 12.226 3.813 1.00 0.00 H new ATOM 0 HB3 ASP A 39 5.425 10.916 2.650 1.00 0.00 H new ATOM 597 N LEU A 40 3.883 8.906 2.815 1.00 0.00 N ATOM 598 CA LEU A 40 3.577 7.681 2.086 1.00 0.00 C ATOM 599 C LEU A 40 2.327 7.011 2.648 1.00 0.00 C ATOM 600 O LEU A 40 1.647 6.259 1.951 1.00 0.00 O ATOM 601 CB LEU A 40 4.761 6.714 2.152 1.00 0.00 C ATOM 602 CG LEU A 40 4.585 5.386 1.416 1.00 0.00 C ATOM 603 CD1 LEU A 40 4.278 5.626 -0.054 1.00 0.00 C ATOM 604 CD2 LEU A 40 5.829 4.522 1.569 1.00 0.00 C ATOM 0 H LEU A 40 4.761 8.880 3.333 1.00 0.00 H new ATOM 0 HA LEU A 40 3.389 7.945 1.045 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.639 7.218 1.746 1.00 0.00 H new ATOM 0 HB3 LEU A 40 4.972 6.500 3.200 1.00 0.00 H new ATOM 0 HG LEU A 40 3.742 4.856 1.860 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.156 4.669 -0.561 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.358 6.204 -0.144 1.00 0.00 H new ATOM 0 HD13 LEU A 40 5.099 6.177 -0.512 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.686 3.581 1.039 1.00 0.00 H new ATOM 0 HD22 LEU A 40 6.689 5.046 1.152 1.00 0.00 H new ATOM 0 HD23 LEU A 40 6.004 4.320 2.626 1.00 0.00 H new ATOM 616 N ALA A 41 2.030 7.291 3.913 1.00 0.00 N ATOM 617 CA ALA A 41 0.859 6.720 4.567 1.00 0.00 C ATOM 618 C ALA A 41 -0.411 7.460 4.164 1.00 0.00 C ATOM 619 O ALA A 41 -1.504 6.895 4.192 1.00 0.00 O ATOM 620 CB ALA A 41 1.033 6.748 6.078 1.00 0.00 C ATOM 0 H ALA A 41 2.584 7.910 4.505 1.00 0.00 H new ATOM 0 HA ALA A 41 0.761 5.684 4.243 1.00 0.00 H new ATOM 0 HB1 ALA A 41 0.151 6.319 6.554 1.00 0.00 H new ATOM 0 HB2 ALA A 41 1.913 6.167 6.354 1.00 0.00 H new ATOM 0 HB3 ALA A 41 1.159 7.778 6.411 1.00 0.00 H new ATOM 626 N GLN A 42 -0.260 8.727 3.792 1.00 0.00 N ATOM 627 CA GLN A 42 -1.396 9.545 3.386 1.00 0.00 C ATOM 628 C GLN A 42 -1.889 9.141 2.000 1.00 0.00 C ATOM 629 O GLN A 42 -3.058 8.799 1.820 1.00 0.00 O ATOM 630 CB GLN A 42 -1.015 11.026 3.393 1.00 0.00 C ATOM 631 CG GLN A 42 -0.489 11.512 4.734 1.00 0.00 C ATOM 632 CD GLN A 42 -0.460 13.024 4.836 1.00 0.00 C ATOM 633 OE1 GLN A 42 -1.476 13.691 4.639 1.00 0.00 O ATOM 634 NE2 GLN A 42 0.708 13.575 5.145 1.00 0.00 N ATOM 0 H GLN A 42 0.638 9.209 3.763 1.00 0.00 H new ATOM 0 HA GLN A 42 -2.202 9.382 4.101 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -0.257 11.201 2.630 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -1.888 11.619 3.118 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -1.113 11.110 5.532 1.00 0.00 H new ATOM 0 HG3 GLN A 42 0.517 11.122 4.888 1.00 0.00 H new ATOM 0 HE21 GLN A 42 1.525 12.985 5.300 1.00 0.00 H new ATOM 0 HE22 GLN A 42 0.788 14.589 5.227 1.00 0.00 H new ATOM 643 N THR A 43 -0.990 9.184 1.022 1.00 0.00 N ATOM 644 CA THR A 43 -1.333 8.824 -0.348 1.00 0.00 C ATOM 645 C THR A 43 -2.149 7.538 -0.391 1.00 0.00 C ATOM 646 O THR A 43 -2.937 7.320 -1.313 1.00 0.00 O ATOM 647 CB THR A 43 -0.072 8.648 -1.216 1.00 0.00 C ATOM 648 OG1 THR A 43 -0.444 8.424 -2.580 1.00 0.00 O ATOM 649 CG2 THR A 43 0.770 7.484 -0.716 1.00 0.00 C ATOM 0 H THR A 43 -0.018 9.465 1.153 1.00 0.00 H new ATOM 0 HA THR A 43 -1.930 9.643 -0.749 1.00 0.00 H new ATOM 0 HB THR A 43 0.521 9.560 -1.147 1.00 0.00 H new ATOM 0 HG1 THR A 43 0.363 8.315 -3.125 1.00 0.00 H new ATOM 0 HG21 THR A 43 1.655 7.379 -1.344 1.00 0.00 H new ATOM 0 HG22 THR A 43 1.076 7.672 0.313 1.00 0.00 H new ATOM 0 HG23 THR A 43 0.184 6.566 -0.759 1.00 0.00 H new ATOM 657 N LEU A 44 -1.958 6.688 0.611 1.00 0.00 N ATOM 658 CA LEU A 44 -2.678 5.421 0.689 1.00 0.00 C ATOM 659 C LEU A 44 -3.809 5.499 1.709 1.00 0.00 C ATOM 660 O LEU A 44 -4.784 4.752 1.628 1.00 0.00 O ATOM 661 CB LEU A 44 -1.719 4.289 1.059 1.00 0.00 C ATOM 662 CG LEU A 44 -0.408 4.235 0.274 1.00 0.00 C ATOM 663 CD1 LEU A 44 0.586 3.308 0.956 1.00 0.00 C ATOM 664 CD2 LEU A 44 -0.663 3.786 -1.158 1.00 0.00 C ATOM 0 H LEU A 44 -1.310 6.853 1.382 1.00 0.00 H new ATOM 0 HA LEU A 44 -3.111 5.217 -0.290 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.481 4.374 2.119 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.239 3.341 0.924 1.00 0.00 H new ATOM 0 HG LEU A 44 0.020 5.237 0.250 1.00 0.00 H new ATOM 0 HD11 LEU A 44 1.513 3.283 0.382 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.792 3.672 1.962 1.00 0.00 H new ATOM 0 HD13 LEU A 44 0.167 2.303 1.013 1.00 0.00 H new ATOM 0 HD21 LEU A 44 0.281 3.753 -1.703 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.114 2.794 -1.153 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.339 4.489 -1.645 1.00 0.00 H new ATOM 676 N ARG A 45 -3.673 6.410 2.668 1.00 0.00 N ATOM 677 CA ARG A 45 -4.684 6.586 3.703 1.00 0.00 C ATOM 678 C ARG A 45 -6.085 6.585 3.100 1.00 0.00 C ATOM 679 O ARG A 45 -7.045 6.147 3.736 1.00 0.00 O ATOM 680 CB ARG A 45 -4.444 7.893 4.462 1.00 0.00 C ATOM 681 CG ARG A 45 -5.515 8.202 5.495 1.00 0.00 C ATOM 682 CD ARG A 45 -5.480 9.664 5.914 1.00 0.00 C ATOM 683 NE ARG A 45 -6.659 10.039 6.690 1.00 0.00 N ATOM 684 CZ ARG A 45 -6.808 11.223 7.273 1.00 0.00 C ATOM 685 NH1 ARG A 45 -5.858 12.142 7.169 1.00 0.00 N ATOM 686 NH2 ARG A 45 -7.910 11.490 7.963 1.00 0.00 N ATOM 0 H ARG A 45 -2.873 7.037 2.749 1.00 0.00 H new ATOM 0 HA ARG A 45 -4.606 5.750 4.398 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -3.475 7.842 4.959 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -4.393 8.714 3.747 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -6.497 7.963 5.086 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -5.372 7.568 6.370 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -4.583 9.851 6.504 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -5.414 10.294 5.027 1.00 0.00 H new ATOM 0 HE ARG A 45 -7.409 9.355 6.790 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -5.009 11.941 6.640 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -5.976 13.050 7.618 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -8.643 10.786 8.046 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -8.024 12.400 8.410 1.00 0.00 H new ATOM 700 N ASP A 46 -6.196 7.078 1.872 1.00 0.00 N ATOM 701 CA ASP A 46 -7.480 7.134 1.183 1.00 0.00 C ATOM 702 C ASP A 46 -7.957 5.734 0.809 1.00 0.00 C ATOM 703 O ASP A 46 -9.071 5.337 1.147 1.00 0.00 O ATOM 704 CB ASP A 46 -7.372 8.001 -0.073 1.00 0.00 C ATOM 705 CG ASP A 46 -6.029 7.858 -0.761 1.00 0.00 C ATOM 706 OD1 ASP A 46 -5.037 8.418 -0.248 1.00 0.00 O ATOM 707 OD2 ASP A 46 -5.969 7.188 -1.813 1.00 0.00 O ATOM 0 H ASP A 46 -5.412 7.445 1.333 1.00 0.00 H new ATOM 0 HA ASP A 46 -8.209 7.579 1.861 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -8.165 7.727 -0.769 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -7.530 9.046 0.195 1.00 0.00 H new ATOM 712 N GLY A 47 -7.105 4.991 0.109 1.00 0.00 N ATOM 713 CA GLY A 47 -7.459 3.644 -0.299 1.00 0.00 C ATOM 714 C GLY A 47 -7.748 3.545 -1.784 1.00 0.00 C ATOM 715 O GLY A 47 -8.391 2.598 -2.237 1.00 0.00 O ATOM 0 H GLY A 47 -6.177 5.298 -0.183 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -6.645 2.965 -0.044 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -8.335 3.316 0.261 1.00 0.00 H new ATOM 719 N VAL A 48 -7.274 4.527 -2.544 1.00 0.00 N ATOM 720 CA VAL A 48 -7.486 4.548 -3.986 1.00 0.00 C ATOM 721 C VAL A 48 -6.275 3.993 -4.728 1.00 0.00 C ATOM 722 O VAL A 48 -6.411 3.351 -5.770 1.00 0.00 O ATOM 723 CB VAL A 48 -7.773 5.975 -4.491 1.00 0.00 C ATOM 724 CG1 VAL A 48 -8.010 5.972 -5.994 1.00 0.00 C ATOM 725 CG2 VAL A 48 -8.966 6.569 -3.756 1.00 0.00 C ATOM 0 H VAL A 48 -6.740 5.319 -2.185 1.00 0.00 H new ATOM 0 HA VAL A 48 -8.352 3.918 -4.187 1.00 0.00 H new ATOM 0 HB VAL A 48 -6.902 6.597 -4.286 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -8.211 6.988 -6.333 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -7.124 5.589 -6.501 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -8.864 5.336 -6.226 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -9.155 7.577 -4.125 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -9.845 5.948 -3.928 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -8.753 6.607 -2.688 1.00 0.00 H new ATOM 735 N LEU A 49 -5.089 4.245 -4.184 1.00 0.00 N ATOM 736 CA LEU A 49 -3.852 3.769 -4.793 1.00 0.00 C ATOM 737 C LEU A 49 -3.653 2.280 -4.533 1.00 0.00 C ATOM 738 O LEU A 49 -3.435 1.500 -5.461 1.00 0.00 O ATOM 739 CB LEU A 49 -2.658 4.557 -4.251 1.00 0.00 C ATOM 740 CG LEU A 49 -1.342 4.390 -5.012 1.00 0.00 C ATOM 741 CD1 LEU A 49 -1.517 4.778 -6.472 1.00 0.00 C ATOM 742 CD2 LEU A 49 -0.243 5.221 -4.365 1.00 0.00 C ATOM 0 H LEU A 49 -4.958 4.776 -3.323 1.00 0.00 H new ATOM 0 HA LEU A 49 -3.924 3.924 -5.870 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -2.919 5.615 -4.245 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -2.495 4.263 -3.214 1.00 0.00 H new ATOM 0 HG LEU A 49 -1.050 3.341 -4.969 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.570 4.653 -6.998 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -2.273 4.140 -6.930 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -1.833 5.819 -6.536 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.686 5.090 -4.919 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.528 6.273 -4.377 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -0.100 4.896 -3.335 1.00 0.00 H new ATOM 754 N LEU A 50 -3.732 1.890 -3.265 1.00 0.00 N ATOM 755 CA LEU A 50 -3.564 0.493 -2.882 1.00 0.00 C ATOM 756 C LEU A 50 -4.166 -0.436 -3.931 1.00 0.00 C ATOM 757 O LEU A 50 -3.482 -1.308 -4.469 1.00 0.00 O ATOM 758 CB LEU A 50 -4.215 0.234 -1.522 1.00 0.00 C ATOM 759 CG LEU A 50 -3.332 0.479 -0.298 1.00 0.00 C ATOM 760 CD1 LEU A 50 -4.181 0.579 0.961 1.00 0.00 C ATOM 761 CD2 LEU A 50 -2.296 -0.626 -0.158 1.00 0.00 C ATOM 0 H LEU A 50 -3.911 2.522 -2.485 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.496 0.288 -2.812 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -5.100 0.865 -1.439 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -4.558 -0.800 -1.497 1.00 0.00 H new ATOM 0 HG LEU A 50 -2.808 1.425 -0.435 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.536 0.753 1.822 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -4.884 1.406 0.861 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.732 -0.351 1.103 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -1.677 -0.435 0.718 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.801 -1.585 -0.044 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.667 -0.650 -1.048 1.00 0.00 H new ATOM 773 N CYS A 51 -5.448 -0.242 -4.220 1.00 0.00 N ATOM 774 CA CYS A 51 -6.142 -1.061 -5.207 1.00 0.00 C ATOM 775 C CYS A 51 -5.378 -1.088 -6.526 1.00 0.00 C ATOM 776 O CYS A 51 -5.268 -2.131 -7.170 1.00 0.00 O ATOM 777 CB CYS A 51 -7.559 -0.531 -5.435 1.00 0.00 C ATOM 778 SG CYS A 51 -8.653 -0.711 -4.007 1.00 0.00 S ATOM 0 H CYS A 51 -6.028 0.475 -3.785 1.00 0.00 H new ATOM 0 HA CYS A 51 -6.200 -2.079 -4.821 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -7.502 0.524 -5.705 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -7.999 -1.054 -6.284 1.00 0.00 H new ATOM 0 HG CYS A 51 -9.069 0.461 -3.628 1.00 0.00 H new ATOM 784 N GLN A 52 -4.852 0.067 -6.923 1.00 0.00 N ATOM 785 CA GLN A 52 -4.099 0.176 -8.167 1.00 0.00 C ATOM 786 C GLN A 52 -2.921 -0.793 -8.177 1.00 0.00 C ATOM 787 O GLN A 52 -2.749 -1.568 -9.119 1.00 0.00 O ATOM 788 CB GLN A 52 -3.599 1.608 -8.362 1.00 0.00 C ATOM 789 CG GLN A 52 -4.709 2.647 -8.343 1.00 0.00 C ATOM 790 CD GLN A 52 -4.375 3.872 -9.172 1.00 0.00 C ATOM 791 OE1 GLN A 52 -3.329 4.495 -8.988 1.00 0.00 O ATOM 792 NE2 GLN A 52 -5.265 4.223 -10.093 1.00 0.00 N ATOM 0 H GLN A 52 -4.934 0.940 -6.401 1.00 0.00 H new ATOM 0 HA GLN A 52 -4.766 -0.083 -8.990 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.879 1.843 -7.578 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -3.068 1.673 -9.312 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -5.628 2.198 -8.719 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -4.900 2.950 -7.314 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -6.119 3.678 -10.211 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -5.095 5.038 -10.682 1.00 0.00 H new ATOM 801 N LEU A 53 -2.112 -0.743 -7.125 1.00 0.00 N ATOM 802 CA LEU A 53 -0.949 -1.616 -7.012 1.00 0.00 C ATOM 803 C LEU A 53 -1.263 -3.013 -7.540 1.00 0.00 C ATOM 804 O LEU A 53 -0.691 -3.454 -8.537 1.00 0.00 O ATOM 805 CB LEU A 53 -0.489 -1.701 -5.556 1.00 0.00 C ATOM 806 CG LEU A 53 0.633 -2.697 -5.263 1.00 0.00 C ATOM 807 CD1 LEU A 53 1.936 -2.235 -5.897 1.00 0.00 C ATOM 808 CD2 LEU A 53 0.805 -2.881 -3.762 1.00 0.00 C ATOM 0 H LEU A 53 -2.240 -0.107 -6.338 1.00 0.00 H new ATOM 0 HA LEU A 53 -0.147 -1.191 -7.616 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.160 -0.711 -5.242 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.349 -1.961 -4.939 1.00 0.00 H new ATOM 0 HG LEU A 53 0.361 -3.659 -5.698 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.723 -2.956 -5.678 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.807 -2.155 -6.976 1.00 0.00 H new ATOM 0 HD13 LEU A 53 2.213 -1.262 -5.492 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.608 -3.593 -3.572 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.054 -1.924 -3.304 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.123 -3.258 -3.333 1.00 0.00 H new ATOM 820 N LEU A 54 -2.176 -3.702 -6.866 1.00 0.00 N ATOM 821 CA LEU A 54 -2.569 -5.049 -7.268 1.00 0.00 C ATOM 822 C LEU A 54 -2.939 -5.089 -8.747 1.00 0.00 C ATOM 823 O LEU A 54 -2.580 -6.025 -9.461 1.00 0.00 O ATOM 824 CB LEU A 54 -3.749 -5.531 -6.422 1.00 0.00 C ATOM 825 CG LEU A 54 -3.570 -5.440 -4.906 1.00 0.00 C ATOM 826 CD1 LEU A 54 -4.785 -6.009 -4.190 1.00 0.00 C ATOM 827 CD2 LEU A 54 -2.305 -6.168 -4.474 1.00 0.00 C ATOM 0 H LEU A 54 -2.659 -3.351 -6.039 1.00 0.00 H new ATOM 0 HA LEU A 54 -1.719 -5.713 -7.107 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -4.630 -4.951 -6.699 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -3.956 -6.569 -6.682 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.472 -4.389 -4.633 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -4.640 -5.936 -3.112 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -5.673 -5.445 -4.476 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -4.915 -7.055 -4.468 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -2.193 -6.093 -3.392 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -2.374 -7.218 -4.760 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -1.441 -5.715 -4.960 1.00 0.00 H new ATOM 839 N ASN A 55 -3.657 -4.067 -9.200 1.00 0.00 N ATOM 840 CA ASN A 55 -4.074 -3.985 -10.595 1.00 0.00 C ATOM 841 C ASN A 55 -2.865 -3.858 -11.518 1.00 0.00 C ATOM 842 O ASN A 55 -2.888 -4.325 -12.656 1.00 0.00 O ATOM 843 CB ASN A 55 -5.013 -2.794 -10.800 1.00 0.00 C ATOM 844 CG ASN A 55 -6.320 -2.954 -10.049 1.00 0.00 C ATOM 845 OD1 ASN A 55 -6.622 -4.026 -9.525 1.00 0.00 O ATOM 846 ND2 ASN A 55 -7.105 -1.883 -9.993 1.00 0.00 N ATOM 0 H ASN A 55 -3.962 -3.284 -8.622 1.00 0.00 H new ATOM 0 HA ASN A 55 -4.604 -4.904 -10.844 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -4.516 -1.882 -10.469 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -5.220 -2.677 -11.864 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -7.997 -1.930 -9.501 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -6.815 -1.014 -10.442 1.00 0.00 H new ATOM 853 N ASN A 56 -1.810 -3.223 -11.018 1.00 0.00 N ATOM 854 CA ASN A 56 -0.592 -3.034 -11.797 1.00 0.00 C ATOM 855 C ASN A 56 0.174 -4.347 -11.935 1.00 0.00 C ATOM 856 O ASN A 56 0.649 -4.690 -13.018 1.00 0.00 O ATOM 857 CB ASN A 56 0.299 -1.978 -11.141 1.00 0.00 C ATOM 858 CG ASN A 56 -0.009 -0.576 -11.632 1.00 0.00 C ATOM 859 OD1 ASN A 56 0.156 -0.271 -12.813 1.00 0.00 O ATOM 860 ND2 ASN A 56 -0.457 0.283 -10.725 1.00 0.00 N ATOM 0 H ASN A 56 -1.774 -2.831 -10.077 1.00 0.00 H new ATOM 0 HA ASN A 56 -0.876 -2.693 -12.792 1.00 0.00 H new ATOM 0 HB2 ASN A 56 0.169 -2.018 -10.059 1.00 0.00 H new ATOM 0 HB3 ASN A 56 1.344 -2.210 -11.346 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -0.680 1.241 -10.996 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -0.578 -0.015 -9.757 1.00 0.00 H new ATOM 867 N LEU A 57 0.290 -5.076 -10.831 1.00 0.00 N ATOM 868 CA LEU A 57 0.998 -6.352 -10.828 1.00 0.00 C ATOM 869 C LEU A 57 0.245 -7.394 -11.649 1.00 0.00 C ATOM 870 O LEU A 57 0.805 -8.002 -12.561 1.00 0.00 O ATOM 871 CB LEU A 57 1.183 -6.852 -9.394 1.00 0.00 C ATOM 872 CG LEU A 57 1.645 -5.810 -8.374 1.00 0.00 C ATOM 873 CD1 LEU A 57 1.699 -6.416 -6.980 1.00 0.00 C ATOM 874 CD2 LEU A 57 3.003 -5.247 -8.766 1.00 0.00 C ATOM 0 H LEU A 57 -0.097 -4.806 -9.927 1.00 0.00 H new ATOM 0 HA LEU A 57 1.977 -6.197 -11.281 1.00 0.00 H new ATOM 0 HB2 LEU A 57 0.237 -7.271 -9.052 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.907 -7.666 -9.405 1.00 0.00 H new ATOM 0 HG LEU A 57 0.924 -4.993 -8.365 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.030 -5.660 -6.267 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.707 -6.771 -6.699 1.00 0.00 H new ATOM 0 HD13 LEU A 57 2.399 -7.252 -6.973 1.00 0.00 H new ATOM 0 HD21 LEU A 57 3.317 -4.507 -8.029 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.734 -6.054 -8.804 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.932 -4.776 -9.746 1.00 0.00 H new ATOM 886 N ARG A 58 -1.027 -7.594 -11.319 1.00 0.00 N ATOM 887 CA ARG A 58 -1.856 -8.561 -12.027 1.00 0.00 C ATOM 888 C ARG A 58 -3.038 -7.873 -12.703 1.00 0.00 C ATOM 889 O ARG A 58 -3.467 -6.799 -12.282 1.00 0.00 O ATOM 890 CB ARG A 58 -2.362 -9.634 -11.061 1.00 0.00 C ATOM 891 CG ARG A 58 -2.607 -10.982 -11.720 1.00 0.00 C ATOM 892 CD ARG A 58 -3.681 -11.772 -10.991 1.00 0.00 C ATOM 893 NE ARG A 58 -4.102 -12.949 -11.746 1.00 0.00 N ATOM 894 CZ ARG A 58 -3.447 -14.104 -11.733 1.00 0.00 C ATOM 895 NH1 ARG A 58 -2.345 -14.237 -11.006 1.00 0.00 N ATOM 896 NH2 ARG A 58 -3.892 -15.130 -12.446 1.00 0.00 N ATOM 0 H ARG A 58 -1.505 -7.099 -10.566 1.00 0.00 H new ATOM 0 HA ARG A 58 -1.244 -9.032 -12.796 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -1.636 -9.759 -10.258 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -3.289 -9.290 -10.602 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -2.906 -10.832 -12.758 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -1.680 -11.555 -11.735 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -3.304 -12.082 -10.016 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -4.543 -11.130 -10.810 1.00 0.00 H new ATOM 0 HE ARG A 58 -4.946 -12.880 -12.315 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -1.999 -13.451 -10.455 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -1.844 -15.125 -10.998 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -4.739 -15.033 -13.006 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -3.387 -16.016 -12.434 1.00 0.00 H new ATOM 910 N ALA A 59 -3.559 -8.498 -13.754 1.00 0.00 N ATOM 911 CA ALA A 59 -4.691 -7.947 -14.487 1.00 0.00 C ATOM 912 C ALA A 59 -6.014 -8.397 -13.875 1.00 0.00 C ATOM 913 O ALA A 59 -6.128 -9.517 -13.375 1.00 0.00 O ATOM 914 CB ALA A 59 -4.620 -8.352 -15.952 1.00 0.00 C ATOM 0 H ALA A 59 -3.214 -9.387 -14.117 1.00 0.00 H new ATOM 0 HA ALA A 59 -4.641 -6.860 -14.419 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -5.472 -7.933 -16.487 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -3.696 -7.975 -16.389 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -4.641 -9.439 -16.030 1.00 0.00 H new ATOM 920 N HIS A 60 -7.010 -7.519 -13.918 1.00 0.00 N ATOM 921 CA HIS A 60 -8.325 -7.827 -13.367 1.00 0.00 C ATOM 922 C HIS A 60 -8.234 -8.119 -11.873 1.00 0.00 C ATOM 923 O HIS A 60 -8.968 -8.956 -11.348 1.00 0.00 O ATOM 924 CB HIS A 60 -8.939 -9.023 -14.096 1.00 0.00 C ATOM 925 CG HIS A 60 -9.467 -8.689 -15.457 1.00 0.00 C ATOM 926 ND1 HIS A 60 -10.790 -8.849 -15.811 1.00 0.00 N ATOM 927 CD2 HIS A 60 -8.842 -8.199 -16.553 1.00 0.00 C ATOM 928 CE1 HIS A 60 -10.956 -8.473 -17.067 1.00 0.00 C ATOM 929 NE2 HIS A 60 -9.789 -8.075 -17.540 1.00 0.00 N ATOM 0 H HIS A 60 -6.932 -6.589 -14.329 1.00 0.00 H new ATOM 0 HA HIS A 60 -8.964 -6.956 -13.510 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -8.187 -9.806 -14.189 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -9.749 -9.430 -13.491 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -7.794 -7.952 -16.636 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -11.887 -8.489 -17.614 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -9.619 -7.731 -18.485 1.00 0.00 H new ATOM 938 N SER A 61 -7.327 -7.424 -11.193 1.00 0.00 N ATOM 939 CA SER A 61 -7.136 -7.612 -9.760 1.00 0.00 C ATOM 940 C SER A 61 -8.201 -6.860 -8.967 1.00 0.00 C ATOM 941 O SER A 61 -8.758 -7.385 -8.002 1.00 0.00 O ATOM 942 CB SER A 61 -5.743 -7.137 -9.343 1.00 0.00 C ATOM 943 OG SER A 61 -4.754 -7.602 -10.245 1.00 0.00 O ATOM 0 H SER A 61 -6.713 -6.726 -11.612 1.00 0.00 H new ATOM 0 HA SER A 61 -7.229 -8.676 -9.542 1.00 0.00 H new ATOM 0 HB2 SER A 61 -5.723 -6.048 -9.306 1.00 0.00 H new ATOM 0 HB3 SER A 61 -5.519 -7.494 -8.338 1.00 0.00 H new ATOM 0 HG SER A 61 -4.731 -7.020 -11.033 1.00 0.00 H new ATOM 949 N ILE A 62 -8.478 -5.628 -9.381 1.00 0.00 N ATOM 950 CA ILE A 62 -9.477 -4.804 -8.710 1.00 0.00 C ATOM 951 C ILE A 62 -10.121 -3.822 -9.682 1.00 0.00 C ATOM 952 O ILE A 62 -9.439 -2.998 -10.291 1.00 0.00 O ATOM 953 CB ILE A 62 -8.862 -4.020 -7.536 1.00 0.00 C ATOM 954 CG1 ILE A 62 -8.131 -4.970 -6.586 1.00 0.00 C ATOM 955 CG2 ILE A 62 -9.942 -3.246 -6.793 1.00 0.00 C ATOM 956 CD1 ILE A 62 -7.540 -4.279 -5.377 1.00 0.00 C ATOM 0 H ILE A 62 -8.025 -5.179 -10.177 1.00 0.00 H new ATOM 0 HA ILE A 62 -10.239 -5.481 -8.324 1.00 0.00 H new ATOM 0 HB ILE A 62 -8.139 -3.307 -7.933 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -8.825 -5.741 -6.251 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -7.334 -5.475 -7.132 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -9.492 -2.697 -5.966 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -10.422 -2.545 -7.476 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -10.686 -3.941 -6.405 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -7.037 -5.013 -4.748 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -6.821 -3.527 -5.703 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -8.335 -3.798 -4.808 1.00 0.00 H new ATOM 968 N ASN A 63 -11.439 -3.914 -9.821 1.00 0.00 N ATOM 969 CA ASN A 63 -12.177 -3.032 -10.718 1.00 0.00 C ATOM 970 C ASN A 63 -12.285 -1.627 -10.133 1.00 0.00 C ATOM 971 O ASN A 63 -12.968 -1.411 -9.130 1.00 0.00 O ATOM 972 CB ASN A 63 -13.574 -3.594 -10.985 1.00 0.00 C ATOM 973 CG ASN A 63 -14.269 -2.893 -12.137 1.00 0.00 C ATOM 974 OD1 ASN A 63 -13.626 -2.252 -12.967 1.00 0.00 O ATOM 975 ND2 ASN A 63 -15.591 -3.013 -12.191 1.00 0.00 N ATOM 0 H ASN A 63 -12.018 -4.590 -9.324 1.00 0.00 H new ATOM 0 HA ASN A 63 -11.631 -2.973 -11.659 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -13.498 -4.659 -11.204 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -14.180 -3.496 -10.085 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -16.114 -2.563 -12.943 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -16.083 -3.555 -11.481 1.00 0.00 H new ATOM 982 N LEU A 64 -11.608 -0.675 -10.764 1.00 0.00 N ATOM 983 CA LEU A 64 -11.628 0.710 -10.307 1.00 0.00 C ATOM 984 C LEU A 64 -13.055 1.173 -10.033 1.00 0.00 C ATOM 985 O LEU A 64 -13.307 1.921 -9.088 1.00 0.00 O ATOM 986 CB LEU A 64 -10.976 1.621 -11.348 1.00 0.00 C ATOM 987 CG LEU A 64 -9.485 1.392 -11.602 1.00 0.00 C ATOM 988 CD1 LEU A 64 -9.033 2.143 -12.844 1.00 0.00 C ATOM 989 CD2 LEU A 64 -8.667 1.817 -10.392 1.00 0.00 C ATOM 0 H LEU A 64 -11.038 -0.837 -11.594 1.00 0.00 H new ATOM 0 HA LEU A 64 -11.062 0.767 -9.377 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -11.508 1.499 -12.292 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -11.116 2.656 -11.035 1.00 0.00 H new ATOM 0 HG LEU A 64 -9.324 0.327 -11.769 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -7.970 1.968 -13.008 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -9.597 1.790 -13.708 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -9.208 3.210 -12.708 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -7.609 1.647 -10.590 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -8.834 2.876 -10.194 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -8.972 1.233 -9.524 1.00 0.00 H new ATOM 1001 N LYS A 65 -13.988 0.720 -10.864 1.00 0.00 N ATOM 1002 CA LYS A 65 -15.392 1.083 -10.711 1.00 0.00 C ATOM 1003 C LYS A 65 -15.911 0.679 -9.335 1.00 0.00 C ATOM 1004 O LYS A 65 -16.666 1.419 -8.705 1.00 0.00 O ATOM 1005 CB LYS A 65 -16.234 0.418 -11.801 1.00 0.00 C ATOM 1006 CG LYS A 65 -16.189 1.146 -13.134 1.00 0.00 C ATOM 1007 CD LYS A 65 -14.775 1.209 -13.687 1.00 0.00 C ATOM 1008 CE LYS A 65 -14.686 2.142 -14.885 1.00 0.00 C ATOM 1009 NZ LYS A 65 -14.365 3.538 -14.478 1.00 0.00 N ATOM 0 H LYS A 65 -13.797 0.100 -11.651 1.00 0.00 H new ATOM 0 HA LYS A 65 -15.474 2.166 -10.808 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -15.886 -0.605 -11.943 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -17.269 0.359 -11.464 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -16.838 0.639 -13.848 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -16.578 2.157 -13.011 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -14.093 1.550 -12.908 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -14.452 0.209 -13.978 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -13.921 1.779 -15.572 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -15.632 2.130 -15.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -14.313 4.143 -15.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -15.107 3.894 -13.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -13.450 3.554 -13.984 1.00 0.00 H new ATOM 1023 N GLU A 66 -15.501 -0.499 -8.874 1.00 0.00 N ATOM 1024 CA GLU A 66 -15.925 -0.999 -7.572 1.00 0.00 C ATOM 1025 C GLU A 66 -15.444 -0.081 -6.453 1.00 0.00 C ATOM 1026 O GLU A 66 -16.064 -0.001 -5.392 1.00 0.00 O ATOM 1027 CB GLU A 66 -15.393 -2.416 -7.348 1.00 0.00 C ATOM 1028 CG GLU A 66 -16.103 -3.472 -8.180 1.00 0.00 C ATOM 1029 CD GLU A 66 -15.578 -4.870 -7.919 1.00 0.00 C ATOM 1030 OE1 GLU A 66 -14.401 -4.998 -7.522 1.00 0.00 O ATOM 1031 OE2 GLU A 66 -16.344 -5.837 -8.114 1.00 0.00 O ATOM 0 H GLU A 66 -14.876 -1.124 -9.383 1.00 0.00 H new ATOM 0 HA GLU A 66 -17.015 -1.020 -7.557 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -14.329 -2.437 -7.582 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -15.492 -2.670 -6.293 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -17.171 -3.443 -7.963 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -15.986 -3.235 -9.238 1.00 0.00 H new ATOM 1038 N ILE A 67 -14.336 0.610 -6.698 1.00 0.00 N ATOM 1039 CA ILE A 67 -13.772 1.523 -5.711 1.00 0.00 C ATOM 1040 C ILE A 67 -14.071 2.974 -6.071 1.00 0.00 C ATOM 1041 O ILE A 67 -13.995 3.364 -7.235 1.00 0.00 O ATOM 1042 CB ILE A 67 -12.247 1.342 -5.583 1.00 0.00 C ATOM 1043 CG1 ILE A 67 -11.585 1.425 -6.960 1.00 0.00 C ATOM 1044 CG2 ILE A 67 -11.926 0.014 -4.914 1.00 0.00 C ATOM 1045 CD1 ILE A 67 -10.073 1.426 -6.904 1.00 0.00 C ATOM 0 H ILE A 67 -13.811 0.555 -7.571 1.00 0.00 H new ATOM 0 HA ILE A 67 -14.240 1.284 -4.756 1.00 0.00 H new ATOM 0 HB ILE A 67 -11.851 2.145 -4.961 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -11.918 0.582 -7.566 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -11.923 2.331 -7.463 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -10.845 -0.100 -4.831 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -12.371 -0.009 -3.919 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -12.331 -0.802 -5.512 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -9.671 1.487 -7.916 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -9.731 2.284 -6.326 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -9.726 0.508 -6.430 1.00 0.00 H new ATOM 1057 N ASN A 68 -14.411 3.770 -5.062 1.00 0.00 N ATOM 1058 CA ASN A 68 -14.721 5.180 -5.272 1.00 0.00 C ATOM 1059 C ASN A 68 -13.463 5.966 -5.628 1.00 0.00 C ATOM 1060 O ASN A 68 -12.761 6.468 -4.749 1.00 0.00 O ATOM 1061 CB ASN A 68 -15.369 5.773 -4.019 1.00 0.00 C ATOM 1062 CG ASN A 68 -16.682 5.097 -3.672 1.00 0.00 C ATOM 1063 OD1 ASN A 68 -17.718 5.383 -4.272 1.00 0.00 O ATOM 1064 ND2 ASN A 68 -16.643 4.195 -2.698 1.00 0.00 N ATOM 0 H ASN A 68 -14.479 3.463 -4.092 1.00 0.00 H new ATOM 0 HA ASN A 68 -15.421 5.253 -6.104 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -14.682 5.679 -3.178 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -15.541 6.838 -4.172 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -17.495 3.708 -2.420 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -15.761 3.990 -2.228 1.00 0.00 H new ATOM 1173 N GLN A 75 -14.796 9.546 5.362 1.00 0.00 N ATOM 1174 CA GLN A 75 -14.475 8.399 6.202 1.00 0.00 C ATOM 1175 C GLN A 75 -15.190 7.145 5.709 1.00 0.00 C ATOM 1176 O GLN A 75 -14.613 6.058 5.685 1.00 0.00 O ATOM 1177 CB GLN A 75 -14.860 8.681 7.656 1.00 0.00 C ATOM 1178 CG GLN A 75 -14.449 7.579 8.619 1.00 0.00 C ATOM 1179 CD GLN A 75 -14.310 8.073 10.045 1.00 0.00 C ATOM 1180 OE1 GLN A 75 -13.738 9.134 10.294 1.00 0.00 O ATOM 1181 NE2 GLN A 75 -14.835 7.304 10.992 1.00 0.00 N ATOM 0 HA GLN A 75 -13.400 8.229 6.144 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -14.399 9.617 7.970 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -15.939 8.821 7.717 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -15.188 6.779 8.586 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -13.501 7.151 8.293 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -15.301 6.432 10.741 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -14.773 7.586 11.970 1.00 0.00 H new ATOM 1190 N PHE A 76 -16.449 7.304 5.316 1.00 0.00 N ATOM 1191 CA PHE A 76 -17.244 6.184 4.824 1.00 0.00 C ATOM 1192 C PHE A 76 -16.651 5.621 3.536 1.00 0.00 C ATOM 1193 O PHE A 76 -16.507 4.407 3.384 1.00 0.00 O ATOM 1194 CB PHE A 76 -18.689 6.624 4.584 1.00 0.00 C ATOM 1195 CG PHE A 76 -19.688 5.513 4.741 1.00 0.00 C ATOM 1196 CD1 PHE A 76 -20.182 5.179 5.992 1.00 0.00 C ATOM 1197 CD2 PHE A 76 -20.133 4.802 3.638 1.00 0.00 C ATOM 1198 CE1 PHE A 76 -21.100 4.157 6.140 1.00 0.00 C ATOM 1199 CE2 PHE A 76 -21.051 3.779 3.780 1.00 0.00 C ATOM 1200 CZ PHE A 76 -21.536 3.457 5.032 1.00 0.00 C ATOM 0 H PHE A 76 -16.941 8.197 5.328 1.00 0.00 H new ATOM 0 HA PHE A 76 -17.231 5.401 5.582 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -18.937 7.426 5.280 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -18.772 7.037 3.579 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -19.845 5.724 6.862 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -19.758 5.050 2.656 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -21.476 3.906 7.121 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -21.389 3.232 2.912 1.00 0.00 H new ATOM 0 HZ PHE A 76 -22.255 2.659 5.145 1.00 0.00 H new ATOM 1210 N LEU A 77 -16.309 6.511 2.611 1.00 0.00 N ATOM 1211 CA LEU A 77 -15.732 6.104 1.334 1.00 0.00 C ATOM 1212 C LEU A 77 -14.306 5.596 1.519 1.00 0.00 C ATOM 1213 O LEU A 77 -13.987 4.464 1.151 1.00 0.00 O ATOM 1214 CB LEU A 77 -15.745 7.275 0.350 1.00 0.00 C ATOM 1215 CG LEU A 77 -17.053 8.061 0.260 1.00 0.00 C ATOM 1216 CD1 LEU A 77 -16.884 9.278 -0.636 1.00 0.00 C ATOM 1217 CD2 LEU A 77 -18.177 7.172 -0.252 1.00 0.00 C ATOM 0 H LEU A 77 -16.421 7.519 2.721 1.00 0.00 H new ATOM 0 HA LEU A 77 -16.338 5.292 0.931 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -14.948 7.965 0.627 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -15.505 6.893 -0.642 1.00 0.00 H new ATOM 0 HG LEU A 77 -17.316 8.405 1.260 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -17.825 9.825 -0.688 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -16.110 9.927 -0.227 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -16.596 8.956 -1.637 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -19.100 7.749 -0.309 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -17.922 6.797 -1.243 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -18.316 6.332 0.429 1.00 0.00 H new ATOM 1229 N CYS A 78 -13.453 6.438 2.091 1.00 0.00 N ATOM 1230 CA CYS A 78 -12.060 6.074 2.326 1.00 0.00 C ATOM 1231 C CYS A 78 -11.958 4.682 2.941 1.00 0.00 C ATOM 1232 O CYS A 78 -11.310 3.793 2.387 1.00 0.00 O ATOM 1233 CB CYS A 78 -11.391 7.100 3.242 1.00 0.00 C ATOM 1234 SG CYS A 78 -11.023 8.678 2.439 1.00 0.00 S ATOM 0 H CYS A 78 -13.701 7.378 2.401 1.00 0.00 H new ATOM 0 HA CYS A 78 -11.545 6.065 1.365 1.00 0.00 H new ATOM 0 HB2 CYS A 78 -12.039 7.283 4.099 1.00 0.00 H new ATOM 0 HB3 CYS A 78 -10.464 6.676 3.628 1.00 0.00 H new ATOM 0 HG CYS A 78 -10.461 9.480 3.294 1.00 0.00 H new ATOM 1240 N LEU A 79 -12.601 4.500 4.089 1.00 0.00 N ATOM 1241 CA LEU A 79 -12.581 3.216 4.782 1.00 0.00 C ATOM 1242 C LEU A 79 -12.976 2.083 3.839 1.00 0.00 C ATOM 1243 O LEU A 79 -12.232 1.118 3.666 1.00 0.00 O ATOM 1244 CB LEU A 79 -13.528 3.248 5.983 1.00 0.00 C ATOM 1245 CG LEU A 79 -12.995 3.938 7.239 1.00 0.00 C ATOM 1246 CD1 LEU A 79 -14.114 4.151 8.247 1.00 0.00 C ATOM 1247 CD2 LEU A 79 -11.866 3.125 7.856 1.00 0.00 C ATOM 0 H LEU A 79 -13.143 5.225 4.560 1.00 0.00 H new ATOM 0 HA LEU A 79 -11.565 3.035 5.133 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -14.449 3.747 5.681 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -13.791 2.222 6.240 1.00 0.00 H new ATOM 0 HG LEU A 79 -12.600 4.913 6.955 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -13.716 4.643 9.134 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -14.890 4.775 7.803 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -14.540 3.187 8.527 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -11.499 3.631 8.749 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -12.235 2.136 8.126 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -11.054 3.025 7.136 1.00 0.00 H new ATOM 1259 N LYS A 80 -14.150 2.209 3.230 1.00 0.00 N ATOM 1260 CA LYS A 80 -14.643 1.199 2.302 1.00 0.00 C ATOM 1261 C LYS A 80 -13.574 0.833 1.277 1.00 0.00 C ATOM 1262 O LYS A 80 -13.230 -0.337 1.116 1.00 0.00 O ATOM 1263 CB LYS A 80 -15.899 1.703 1.587 1.00 0.00 C ATOM 1264 CG LYS A 80 -16.649 0.616 0.837 1.00 0.00 C ATOM 1265 CD LYS A 80 -15.896 0.175 -0.407 1.00 0.00 C ATOM 1266 CE LYS A 80 -16.787 -0.626 -1.344 1.00 0.00 C ATOM 1267 NZ LYS A 80 -16.897 -2.050 -0.922 1.00 0.00 N ATOM 0 H LYS A 80 -14.778 3.002 3.363 1.00 0.00 H new ATOM 0 HA LYS A 80 -14.892 0.306 2.875 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -16.568 2.155 2.320 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -15.617 2.489 0.886 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -16.802 -0.241 1.493 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -17.636 0.982 0.555 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -15.511 1.050 -0.930 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -15.035 -0.428 -0.118 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -17.780 -0.178 -1.372 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -16.386 -0.577 -2.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -17.512 -2.562 -1.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -15.952 -2.485 -0.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -17.303 -2.098 0.034 1.00 0.00 H new ATOM 1281 N ASN A 81 -13.052 1.843 0.588 1.00 0.00 N ATOM 1282 CA ASN A 81 -12.020 1.627 -0.421 1.00 0.00 C ATOM 1283 C ASN A 81 -10.945 0.676 0.096 1.00 0.00 C ATOM 1284 O ASN A 81 -10.799 -0.441 -0.401 1.00 0.00 O ATOM 1285 CB ASN A 81 -11.387 2.959 -0.826 1.00 0.00 C ATOM 1286 CG ASN A 81 -12.334 3.829 -1.629 1.00 0.00 C ATOM 1287 OD1 ASN A 81 -13.474 3.446 -1.893 1.00 0.00 O ATOM 1288 ND2 ASN A 81 -11.865 5.008 -2.022 1.00 0.00 N ATOM 0 H ASN A 81 -13.326 2.818 0.709 1.00 0.00 H new ATOM 0 HA ASN A 81 -12.490 1.175 -1.295 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -11.075 3.497 0.069 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -10.488 2.768 -1.412 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -12.456 5.637 -2.565 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -10.913 5.285 -1.780 1.00 0.00 H new ATOM 1295 N ILE A 82 -10.195 1.127 1.096 1.00 0.00 N ATOM 1296 CA ILE A 82 -9.135 0.316 1.681 1.00 0.00 C ATOM 1297 C ILE A 82 -9.517 -1.161 1.697 1.00 0.00 C ATOM 1298 O ILE A 82 -8.829 -1.997 1.113 1.00 0.00 O ATOM 1299 CB ILE A 82 -8.808 0.766 3.117 1.00 0.00 C ATOM 1300 CG1 ILE A 82 -8.267 2.197 3.116 1.00 0.00 C ATOM 1301 CG2 ILE A 82 -7.806 -0.185 3.755 1.00 0.00 C ATOM 1302 CD1 ILE A 82 -8.266 2.844 4.483 1.00 0.00 C ATOM 0 H ILE A 82 -10.302 2.050 1.518 1.00 0.00 H new ATOM 0 HA ILE A 82 -8.252 0.454 1.057 1.00 0.00 H new ATOM 0 HB ILE A 82 -9.725 0.745 3.706 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -7.250 2.192 2.725 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -8.867 2.803 2.437 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -7.585 0.146 4.770 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -8.227 -1.190 3.785 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -6.888 -0.193 3.168 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -7.870 3.856 4.406 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -9.285 2.882 4.869 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -7.643 2.261 5.161 1.00 0.00 H new ATOM 1314 N ARG A 83 -10.621 -1.473 2.369 1.00 0.00 N ATOM 1315 CA ARG A 83 -11.096 -2.848 2.461 1.00 0.00 C ATOM 1316 C ARG A 83 -10.996 -3.549 1.110 1.00 0.00 C ATOM 1317 O ARG A 83 -10.405 -4.624 0.998 1.00 0.00 O ATOM 1318 CB ARG A 83 -12.542 -2.878 2.958 1.00 0.00 C ATOM 1319 CG ARG A 83 -12.676 -2.667 4.457 1.00 0.00 C ATOM 1320 CD ARG A 83 -14.072 -2.192 4.831 1.00 0.00 C ATOM 1321 NE ARG A 83 -14.339 -2.348 6.258 1.00 0.00 N ATOM 1322 CZ ARG A 83 -14.766 -3.481 6.806 1.00 0.00 C ATOM 1323 NH1 ARG A 83 -14.971 -4.551 6.050 1.00 0.00 N ATOM 1324 NH2 ARG A 83 -14.987 -3.544 8.113 1.00 0.00 N ATOM 0 H ARG A 83 -11.203 -0.792 2.857 1.00 0.00 H new ATOM 0 HA ARG A 83 -10.463 -3.378 3.173 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -13.112 -2.107 2.439 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -12.988 -3.837 2.693 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -12.456 -3.599 4.978 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -11.940 -1.935 4.790 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -14.185 -1.144 4.554 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -14.811 -2.754 4.260 1.00 0.00 H new ATOM 0 HE ARG A 83 -14.190 -1.544 6.867 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -14.801 -4.506 5.045 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -15.299 -5.419 6.473 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -14.829 -2.723 8.697 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -15.315 -4.414 8.533 1.00 0.00 H new ATOM 1338 N THR A 84 -11.578 -2.934 0.085 1.00 0.00 N ATOM 1339 CA THR A 84 -11.556 -3.499 -1.258 1.00 0.00 C ATOM 1340 C THR A 84 -10.180 -4.063 -1.595 1.00 0.00 C ATOM 1341 O THR A 84 -10.060 -5.196 -2.064 1.00 0.00 O ATOM 1342 CB THR A 84 -11.940 -2.448 -2.316 1.00 0.00 C ATOM 1343 OG1 THR A 84 -13.279 -1.993 -2.091 1.00 0.00 O ATOM 1344 CG2 THR A 84 -11.826 -3.025 -3.719 1.00 0.00 C ATOM 0 H THR A 84 -12.071 -2.044 0.160 1.00 0.00 H new ATOM 0 HA THR A 84 -12.290 -4.305 -1.274 1.00 0.00 H new ATOM 0 HB THR A 84 -11.251 -1.608 -2.228 1.00 0.00 H new ATOM 0 HG1 THR A 84 -13.270 -1.259 -1.442 1.00 0.00 H new ATOM 0 HG21 THR A 84 -12.102 -2.264 -4.449 1.00 0.00 H new ATOM 0 HG22 THR A 84 -10.799 -3.344 -3.899 1.00 0.00 H new ATOM 0 HG23 THR A 84 -12.494 -3.880 -3.816 1.00 0.00 H new ATOM 1352 N PHE A 85 -9.144 -3.267 -1.353 1.00 0.00 N ATOM 1353 CA PHE A 85 -7.776 -3.688 -1.632 1.00 0.00 C ATOM 1354 C PHE A 85 -7.417 -4.937 -0.833 1.00 0.00 C ATOM 1355 O PHE A 85 -6.932 -5.924 -1.386 1.00 0.00 O ATOM 1356 CB PHE A 85 -6.796 -2.559 -1.302 1.00 0.00 C ATOM 1357 CG PHE A 85 -5.395 -3.037 -1.047 1.00 0.00 C ATOM 1358 CD1 PHE A 85 -4.518 -3.245 -2.099 1.00 0.00 C ATOM 1359 CD2 PHE A 85 -4.956 -3.279 0.245 1.00 0.00 C ATOM 1360 CE1 PHE A 85 -3.228 -3.685 -1.867 1.00 0.00 C ATOM 1361 CE2 PHE A 85 -3.668 -3.719 0.483 1.00 0.00 C ATOM 1362 CZ PHE A 85 -2.802 -3.921 -0.574 1.00 0.00 C ATOM 0 H PHE A 85 -9.225 -2.327 -0.965 1.00 0.00 H new ATOM 0 HA PHE A 85 -7.705 -3.925 -2.694 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -6.784 -1.847 -2.127 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -7.154 -2.023 -0.423 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -4.846 -3.061 -3.112 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -5.628 -3.122 1.075 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -2.554 -3.844 -2.696 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -3.339 -3.905 1.495 1.00 0.00 H new ATOM 0 HZ PHE A 85 -1.794 -4.263 -0.390 1.00 0.00 H new ATOM 1372 N LEU A 86 -7.660 -4.887 0.473 1.00 0.00 N ATOM 1373 CA LEU A 86 -7.363 -6.014 1.350 1.00 0.00 C ATOM 1374 C LEU A 86 -8.130 -7.259 0.916 1.00 0.00 C ATOM 1375 O LEU A 86 -7.678 -8.385 1.126 1.00 0.00 O ATOM 1376 CB LEU A 86 -7.712 -5.664 2.798 1.00 0.00 C ATOM 1377 CG LEU A 86 -7.020 -4.429 3.376 1.00 0.00 C ATOM 1378 CD1 LEU A 86 -7.742 -3.948 4.625 1.00 0.00 C ATOM 1379 CD2 LEU A 86 -5.560 -4.732 3.684 1.00 0.00 C ATOM 0 H LEU A 86 -8.062 -4.078 0.947 1.00 0.00 H new ATOM 0 HA LEU A 86 -6.296 -6.225 1.281 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -8.790 -5.517 2.865 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -7.468 -6.520 3.427 1.00 0.00 H new ATOM 0 HG LEU A 86 -7.056 -3.633 2.632 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -7.235 -3.069 5.022 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -8.771 -3.691 4.374 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -7.738 -4.739 5.375 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -5.083 -3.842 4.095 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -5.502 -5.543 4.410 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -5.049 -5.028 2.768 1.00 0.00 H new ATOM 1391 N THR A 87 -9.293 -7.049 0.307 1.00 0.00 N ATOM 1392 CA THR A 87 -10.123 -8.153 -0.158 1.00 0.00 C ATOM 1393 C THR A 87 -9.416 -8.951 -1.248 1.00 0.00 C ATOM 1394 O THR A 87 -9.092 -10.123 -1.061 1.00 0.00 O ATOM 1395 CB THR A 87 -11.474 -7.651 -0.699 1.00 0.00 C ATOM 1396 OG1 THR A 87 -12.177 -6.935 0.323 1.00 0.00 O ATOM 1397 CG2 THR A 87 -12.326 -8.812 -1.189 1.00 0.00 C ATOM 0 H THR A 87 -9.681 -6.124 0.124 1.00 0.00 H new ATOM 0 HA THR A 87 -10.302 -8.798 0.702 1.00 0.00 H new ATOM 0 HB THR A 87 -11.278 -6.985 -1.539 1.00 0.00 H new ATOM 0 HG1 THR A 87 -11.650 -6.156 0.598 1.00 0.00 H new ATOM 0 HG21 THR A 87 -13.276 -8.433 -1.567 1.00 0.00 H new ATOM 0 HG22 THR A 87 -11.802 -9.337 -1.988 1.00 0.00 H new ATOM 0 HG23 THR A 87 -12.512 -9.500 -0.364 1.00 0.00 H new ATOM 1405 N ALA A 88 -9.180 -8.307 -2.386 1.00 0.00 N ATOM 1406 CA ALA A 88 -8.509 -8.957 -3.506 1.00 0.00 C ATOM 1407 C ALA A 88 -7.249 -9.682 -3.045 1.00 0.00 C ATOM 1408 O ALA A 88 -6.977 -10.805 -3.471 1.00 0.00 O ATOM 1409 CB ALA A 88 -8.169 -7.936 -4.582 1.00 0.00 C ATOM 0 H ALA A 88 -9.443 -7.336 -2.557 1.00 0.00 H new ATOM 0 HA ALA A 88 -9.190 -9.698 -3.925 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -7.669 -8.435 -5.412 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -9.085 -7.466 -4.940 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -7.510 -7.175 -4.166 1.00 0.00 H new ATOM 1415 N CYS A 89 -6.485 -9.034 -2.173 1.00 0.00 N ATOM 1416 CA CYS A 89 -5.252 -9.617 -1.656 1.00 0.00 C ATOM 1417 C CYS A 89 -5.455 -11.084 -1.292 1.00 0.00 C ATOM 1418 O CYS A 89 -4.502 -11.863 -1.257 1.00 0.00 O ATOM 1419 CB CYS A 89 -4.770 -8.838 -0.431 1.00 0.00 C ATOM 1420 SG CYS A 89 -3.730 -7.412 -0.826 1.00 0.00 S ATOM 0 H CYS A 89 -6.697 -8.105 -1.809 1.00 0.00 H new ATOM 0 HA CYS A 89 -4.495 -9.557 -2.438 1.00 0.00 H new ATOM 0 HB2 CYS A 89 -5.638 -8.496 0.134 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -4.212 -9.512 0.219 1.00 0.00 H new ATOM 0 HG CYS A 89 -3.374 -6.817 0.273 1.00 0.00 H new ATOM 1426 N CYS A 90 -6.702 -11.453 -1.022 1.00 0.00 N ATOM 1427 CA CYS A 90 -7.031 -12.827 -0.658 1.00 0.00 C ATOM 1428 C CYS A 90 -7.731 -13.542 -1.809 1.00 0.00 C ATOM 1429 O CYS A 90 -7.720 -14.770 -1.889 1.00 0.00 O ATOM 1430 CB CYS A 90 -7.918 -12.849 0.587 1.00 0.00 C ATOM 1431 SG CYS A 90 -7.249 -11.920 1.987 1.00 0.00 S ATOM 0 H CYS A 90 -7.502 -10.821 -1.048 1.00 0.00 H new ATOM 0 HA CYS A 90 -6.100 -13.351 -0.441 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -8.897 -12.443 0.330 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -8.072 -13.884 0.892 1.00 0.00 H new ATOM 0 HG CYS A 90 -6.021 -11.578 1.733 1.00 0.00 H new ATOM 1437 N GLU A 91 -8.342 -12.764 -2.698 1.00 0.00 N ATOM 1438 CA GLU A 91 -9.050 -13.324 -3.843 1.00 0.00 C ATOM 1439 C GLU A 91 -8.140 -13.388 -5.067 1.00 0.00 C ATOM 1440 O GLU A 91 -7.820 -14.470 -5.561 1.00 0.00 O ATOM 1441 CB GLU A 91 -10.292 -12.488 -4.161 1.00 0.00 C ATOM 1442 CG GLU A 91 -10.948 -11.881 -2.932 1.00 0.00 C ATOM 1443 CD GLU A 91 -12.365 -11.412 -3.199 1.00 0.00 C ATOM 1444 OE1 GLU A 91 -12.543 -10.513 -4.047 1.00 0.00 O ATOM 1445 OE2 GLU A 91 -13.296 -11.946 -2.560 1.00 0.00 O ATOM 0 H GLU A 91 -8.361 -11.745 -2.647 1.00 0.00 H new ATOM 0 HA GLU A 91 -9.358 -14.338 -3.587 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -10.015 -11.688 -4.847 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -11.019 -13.114 -4.678 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -10.958 -12.618 -2.129 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -10.350 -11.039 -2.584 1.00 0.00 H new ATOM 1452 N THR A 92 -7.726 -12.221 -5.551 1.00 0.00 N ATOM 1453 CA THR A 92 -6.855 -12.144 -6.717 1.00 0.00 C ATOM 1454 C THR A 92 -5.493 -12.764 -6.428 1.00 0.00 C ATOM 1455 O THR A 92 -4.946 -13.497 -7.252 1.00 0.00 O ATOM 1456 CB THR A 92 -6.657 -10.686 -7.174 1.00 0.00 C ATOM 1457 OG1 THR A 92 -7.921 -10.100 -7.504 1.00 0.00 O ATOM 1458 CG2 THR A 92 -5.731 -10.618 -8.379 1.00 0.00 C ATOM 0 H THR A 92 -7.980 -11.317 -5.153 1.00 0.00 H new ATOM 0 HA THR A 92 -7.343 -12.704 -7.514 1.00 0.00 H new ATOM 0 HB THR A 92 -6.202 -10.130 -6.354 1.00 0.00 H new ATOM 0 HG1 THR A 92 -7.831 -9.125 -7.535 1.00 0.00 H new ATOM 0 HG21 THR A 92 -5.606 -9.579 -8.684 1.00 0.00 H new ATOM 0 HG22 THR A 92 -4.760 -11.038 -8.116 1.00 0.00 H new ATOM 0 HG23 THR A 92 -6.162 -11.188 -9.202 1.00 0.00 H new ATOM 1466 N PHE A 93 -4.950 -12.466 -5.253 1.00 0.00 N ATOM 1467 CA PHE A 93 -3.650 -12.994 -4.855 1.00 0.00 C ATOM 1468 C PHE A 93 -3.812 -14.230 -3.975 1.00 0.00 C ATOM 1469 O PHE A 93 -3.390 -15.326 -4.342 1.00 0.00 O ATOM 1470 CB PHE A 93 -2.848 -11.925 -4.110 1.00 0.00 C ATOM 1471 CG PHE A 93 -2.335 -10.830 -5.001 1.00 0.00 C ATOM 1472 CD1 PHE A 93 -3.212 -10.053 -5.740 1.00 0.00 C ATOM 1473 CD2 PHE A 93 -0.976 -10.579 -5.100 1.00 0.00 C ATOM 1474 CE1 PHE A 93 -2.744 -9.044 -6.561 1.00 0.00 C ATOM 1475 CE2 PHE A 93 -0.502 -9.572 -5.919 1.00 0.00 C ATOM 1476 CZ PHE A 93 -1.387 -8.804 -6.651 1.00 0.00 C ATOM 0 H PHE A 93 -5.390 -11.861 -4.559 1.00 0.00 H new ATOM 0 HA PHE A 93 -3.110 -13.280 -5.757 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -3.475 -11.487 -3.334 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -2.005 -12.399 -3.608 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -4.274 -10.238 -5.674 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -0.280 -11.177 -4.531 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -3.438 -8.445 -7.131 1.00 0.00 H new ATOM 0 HE2 PHE A 93 0.560 -9.385 -5.987 1.00 0.00 H new ATOM 0 HZ PHE A 93 -1.018 -8.017 -7.292 1.00 0.00 H new ATOM 1486 N GLY A 94 -4.426 -14.045 -2.811 1.00 0.00 N ATOM 1487 CA GLY A 94 -4.633 -15.152 -1.896 1.00 0.00 C ATOM 1488 C GLY A 94 -3.543 -15.248 -0.846 1.00 0.00 C ATOM 1489 O GLY A 94 -2.686 -16.128 -0.910 1.00 0.00 O ATOM 0 H GLY A 94 -4.784 -13.147 -2.485 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -5.599 -15.037 -1.403 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -4.672 -16.084 -2.461 1.00 0.00 H new ATOM 1493 N MET A 95 -3.576 -14.338 0.122 1.00 0.00 N ATOM 1494 CA MET A 95 -2.583 -14.324 1.190 1.00 0.00 C ATOM 1495 C MET A 95 -3.250 -14.457 2.555 1.00 0.00 C ATOM 1496 O MET A 95 -4.477 -14.442 2.661 1.00 0.00 O ATOM 1497 CB MET A 95 -1.761 -13.034 1.135 1.00 0.00 C ATOM 1498 CG MET A 95 -0.715 -13.027 0.033 1.00 0.00 C ATOM 1499 SD MET A 95 -0.135 -11.366 -0.364 1.00 0.00 S ATOM 1500 CE MET A 95 0.503 -10.842 1.225 1.00 0.00 C ATOM 0 H MET A 95 -4.279 -13.602 0.189 1.00 0.00 H new ATOM 0 HA MET A 95 -1.919 -15.176 1.045 1.00 0.00 H new ATOM 0 HB2 MET A 95 -2.435 -12.189 0.991 1.00 0.00 H new ATOM 0 HB3 MET A 95 -1.266 -12.887 2.095 1.00 0.00 H new ATOM 0 HG2 MET A 95 0.133 -13.640 0.338 1.00 0.00 H new ATOM 0 HG3 MET A 95 -1.134 -13.485 -0.863 1.00 0.00 H new ATOM 0 HE1 MET A 95 1.055 -9.910 1.106 1.00 0.00 H new ATOM 0 HE2 MET A 95 -0.325 -10.688 1.917 1.00 0.00 H new ATOM 0 HE3 MET A 95 1.168 -11.609 1.621 1.00 0.00 H new ATOM 1510 N ARG A 96 -2.436 -14.588 3.597 1.00 0.00 N ATOM 1511 CA ARG A 96 -2.948 -14.725 4.955 1.00 0.00 C ATOM 1512 C ARG A 96 -3.661 -13.451 5.399 1.00 0.00 C ATOM 1513 O ARG A 96 -3.042 -12.395 5.534 1.00 0.00 O ATOM 1514 CB ARG A 96 -1.809 -15.048 5.923 1.00 0.00 C ATOM 1515 CG ARG A 96 -1.237 -16.445 5.747 1.00 0.00 C ATOM 1516 CD ARG A 96 -0.098 -16.708 6.719 1.00 0.00 C ATOM 1517 NE ARG A 96 0.710 -17.857 6.318 1.00 0.00 N ATOM 1518 CZ ARG A 96 1.541 -17.845 5.283 1.00 0.00 C ATOM 1519 NH1 ARG A 96 1.674 -16.749 4.548 1.00 0.00 N ATOM 1520 NH2 ARG A 96 2.243 -18.930 4.981 1.00 0.00 N ATOM 0 H ARG A 96 -1.419 -14.602 3.527 1.00 0.00 H new ATOM 0 HA ARG A 96 -3.666 -15.545 4.964 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -1.011 -14.318 5.788 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -2.171 -14.939 6.945 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -2.024 -17.183 5.899 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -0.879 -16.567 4.725 1.00 0.00 H new ATOM 0 HD2 ARG A 96 0.536 -15.824 6.782 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -0.505 -16.881 7.715 1.00 0.00 H new ATOM 0 HE ARG A 96 0.631 -18.715 6.863 1.00 0.00 H new ATOM 0 HH11 ARG A 96 1.137 -15.913 4.778 1.00 0.00 H new ATOM 0 HH12 ARG A 96 2.313 -16.742 3.753 1.00 0.00 H new ATOM 0 HH21 ARG A 96 2.144 -19.774 5.544 1.00 0.00 H new ATOM 0 HH22 ARG A 96 2.881 -18.919 4.185 1.00 0.00 H new ATOM 1534 N LYS A 97 -4.966 -13.557 5.624 1.00 0.00 N ATOM 1535 CA LYS A 97 -5.765 -12.415 6.053 1.00 0.00 C ATOM 1536 C LYS A 97 -5.221 -11.828 7.351 1.00 0.00 C ATOM 1537 O LYS A 97 -5.314 -10.623 7.586 1.00 0.00 O ATOM 1538 CB LYS A 97 -7.226 -12.829 6.240 1.00 0.00 C ATOM 1539 CG LYS A 97 -8.185 -11.655 6.329 1.00 0.00 C ATOM 1540 CD LYS A 97 -8.341 -11.170 7.761 1.00 0.00 C ATOM 1541 CE LYS A 97 -9.599 -10.332 7.931 1.00 0.00 C ATOM 1542 NZ LYS A 97 -9.489 -9.392 9.081 1.00 0.00 N ATOM 0 H LYS A 97 -5.494 -14.423 5.516 1.00 0.00 H new ATOM 0 HA LYS A 97 -5.708 -11.651 5.277 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -7.523 -13.468 5.408 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -7.312 -13.427 7.147 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -7.821 -10.839 5.705 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -9.158 -11.948 5.935 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -8.379 -12.026 8.434 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -7.469 -10.581 8.044 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -9.785 -9.768 7.017 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -10.456 -10.989 8.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -10.366 -8.839 9.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -9.337 -9.931 9.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -8.687 -8.748 8.927 1.00 0.00 H new ATOM 1556 N SER A 98 -4.652 -12.687 8.191 1.00 0.00 N ATOM 1557 CA SER A 98 -4.096 -12.254 9.468 1.00 0.00 C ATOM 1558 C SER A 98 -2.883 -11.353 9.253 1.00 0.00 C ATOM 1559 O SER A 98 -2.557 -10.523 10.101 1.00 0.00 O ATOM 1560 CB SER A 98 -3.701 -13.466 10.314 1.00 0.00 C ATOM 1561 OG SER A 98 -2.811 -14.313 9.608 1.00 0.00 O ATOM 0 H SER A 98 -4.564 -13.687 8.010 1.00 0.00 H new ATOM 0 HA SER A 98 -4.862 -11.686 9.996 1.00 0.00 H new ATOM 0 HB2 SER A 98 -3.232 -13.130 11.239 1.00 0.00 H new ATOM 0 HB3 SER A 98 -4.594 -14.024 10.594 1.00 0.00 H new ATOM 0 HG SER A 98 -2.573 -15.079 10.171 1.00 0.00 H new ATOM 1567 N GLU A 99 -2.221 -11.523 8.113 1.00 0.00 N ATOM 1568 CA GLU A 99 -1.044 -10.726 7.788 1.00 0.00 C ATOM 1569 C GLU A 99 -1.441 -9.307 7.391 1.00 0.00 C ATOM 1570 O GLU A 99 -0.795 -8.336 7.788 1.00 0.00 O ATOM 1571 CB GLU A 99 -0.254 -11.382 6.653 1.00 0.00 C ATOM 1572 CG GLU A 99 0.318 -12.742 7.017 1.00 0.00 C ATOM 1573 CD GLU A 99 1.446 -12.650 8.025 1.00 0.00 C ATOM 1574 OE1 GLU A 99 1.196 -12.178 9.154 1.00 0.00 O ATOM 1575 OE2 GLU A 99 2.580 -13.049 7.685 1.00 0.00 O ATOM 0 H GLU A 99 -2.479 -12.205 7.400 1.00 0.00 H new ATOM 0 HA GLU A 99 -0.415 -10.674 8.677 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -0.904 -11.491 5.785 1.00 0.00 H new ATOM 0 HB3 GLU A 99 0.561 -10.721 6.360 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -0.476 -13.369 7.422 1.00 0.00 H new ATOM 0 HG3 GLU A 99 0.682 -13.232 6.114 1.00 0.00 H new ATOM 1582 N LEU A 100 -2.506 -9.195 6.606 1.00 0.00 N ATOM 1583 CA LEU A 100 -2.990 -7.895 6.155 1.00 0.00 C ATOM 1584 C LEU A 100 -3.099 -6.919 7.322 1.00 0.00 C ATOM 1585 O LEU A 100 -3.049 -7.318 8.486 1.00 0.00 O ATOM 1586 CB LEU A 100 -4.351 -8.044 5.471 1.00 0.00 C ATOM 1587 CG LEU A 100 -4.459 -9.156 4.428 1.00 0.00 C ATOM 1588 CD1 LEU A 100 -5.845 -9.169 3.803 1.00 0.00 C ATOM 1589 CD2 LEU A 100 -3.391 -8.988 3.357 1.00 0.00 C ATOM 0 H LEU A 100 -3.051 -9.988 6.268 1.00 0.00 H new ATOM 0 HA LEU A 100 -2.272 -7.497 5.438 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -5.104 -8.219 6.239 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -4.600 -7.098 4.991 1.00 0.00 H new ATOM 0 HG LEU A 100 -4.299 -10.112 4.926 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -5.903 -9.967 3.063 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -6.592 -9.338 4.578 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -6.035 -8.211 3.319 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -3.483 -9.788 2.623 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -3.520 -8.025 2.862 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -2.404 -9.030 3.818 1.00 0.00 H new ATOM 1601 N PHE A 101 -3.251 -5.638 7.003 1.00 0.00 N ATOM 1602 CA PHE A 101 -3.368 -4.604 8.026 1.00 0.00 C ATOM 1603 C PHE A 101 -4.833 -4.281 8.306 1.00 0.00 C ATOM 1604 O PHE A 101 -5.733 -4.839 7.680 1.00 0.00 O ATOM 1605 CB PHE A 101 -2.629 -3.338 7.588 1.00 0.00 C ATOM 1606 CG PHE A 101 -3.089 -2.803 6.262 1.00 0.00 C ATOM 1607 CD1 PHE A 101 -4.178 -1.950 6.183 1.00 0.00 C ATOM 1608 CD2 PHE A 101 -2.432 -3.155 5.094 1.00 0.00 C ATOM 1609 CE1 PHE A 101 -4.603 -1.456 4.965 1.00 0.00 C ATOM 1610 CE2 PHE A 101 -2.852 -2.663 3.872 1.00 0.00 C ATOM 1611 CZ PHE A 101 -3.940 -1.814 3.807 1.00 0.00 C ATOM 0 H PHE A 101 -3.296 -5.291 6.045 1.00 0.00 H new ATOM 0 HA PHE A 101 -2.915 -4.981 8.943 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -2.763 -2.568 8.348 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -1.561 -3.551 7.534 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -4.701 -1.668 7.085 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -1.583 -3.821 5.139 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -5.452 -0.791 4.918 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -2.330 -2.942 2.969 1.00 0.00 H new ATOM 0 HZ PHE A 101 -4.271 -1.431 2.853 1.00 0.00 H new ATOM 1621 N GLU A 102 -5.062 -3.375 9.252 1.00 0.00 N ATOM 1622 CA GLU A 102 -6.418 -2.978 9.616 1.00 0.00 C ATOM 1623 C GLU A 102 -6.843 -1.729 8.850 1.00 0.00 C ATOM 1624 O GLU A 102 -6.043 -0.819 8.632 1.00 0.00 O ATOM 1625 CB GLU A 102 -6.511 -2.723 11.122 1.00 0.00 C ATOM 1626 CG GLU A 102 -6.311 -3.972 11.964 1.00 0.00 C ATOM 1627 CD GLU A 102 -4.848 -4.267 12.233 1.00 0.00 C ATOM 1628 OE1 GLU A 102 -4.188 -4.849 11.347 1.00 0.00 O ATOM 1629 OE2 GLU A 102 -4.364 -3.916 13.330 1.00 0.00 O ATOM 0 H GLU A 102 -4.328 -2.903 9.779 1.00 0.00 H new ATOM 0 HA GLU A 102 -7.092 -3.793 9.350 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -5.763 -1.982 11.403 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -7.487 -2.294 11.350 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -6.834 -3.853 12.913 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -6.762 -4.824 11.456 1.00 0.00 H new ATOM 1636 N ALA A 103 -8.108 -1.693 8.444 1.00 0.00 N ATOM 1637 CA ALA A 103 -8.641 -0.556 7.704 1.00 0.00 C ATOM 1638 C ALA A 103 -8.336 0.756 8.420 1.00 0.00 C ATOM 1639 O ALA A 103 -7.932 1.737 7.794 1.00 0.00 O ATOM 1640 CB ALA A 103 -10.140 -0.713 7.503 1.00 0.00 C ATOM 0 H ALA A 103 -8.783 -2.438 8.615 1.00 0.00 H new ATOM 0 HA ALA A 103 -8.156 -0.529 6.728 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -10.524 0.143 6.949 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -10.338 -1.627 6.942 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -10.633 -0.768 8.473 1.00 0.00 H new ATOM 1646 N PHE A 104 -8.532 0.768 9.734 1.00 0.00 N ATOM 1647 CA PHE A 104 -8.280 1.960 10.535 1.00 0.00 C ATOM 1648 C PHE A 104 -6.782 2.215 10.673 1.00 0.00 C ATOM 1649 O PHE A 104 -6.310 3.333 10.465 1.00 0.00 O ATOM 1650 CB PHE A 104 -8.914 1.814 11.919 1.00 0.00 C ATOM 1651 CG PHE A 104 -9.345 3.120 12.522 1.00 0.00 C ATOM 1652 CD1 PHE A 104 -10.515 3.737 12.109 1.00 0.00 C ATOM 1653 CD2 PHE A 104 -8.579 3.732 13.502 1.00 0.00 C ATOM 1654 CE1 PHE A 104 -10.914 4.939 12.662 1.00 0.00 C ATOM 1655 CE2 PHE A 104 -8.974 4.934 14.059 1.00 0.00 C ATOM 1656 CZ PHE A 104 -10.142 5.539 13.638 1.00 0.00 C ATOM 0 H PHE A 104 -8.865 -0.035 10.267 1.00 0.00 H new ATOM 0 HA PHE A 104 -8.730 2.812 10.026 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -9.778 1.154 11.846 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -8.201 1.332 12.588 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -11.122 3.273 11.346 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -7.664 3.265 13.834 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -11.829 5.409 12.331 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -8.369 5.400 14.823 1.00 0.00 H new ATOM 0 HZ PHE A 104 -10.451 6.479 14.071 1.00 0.00 H new ATOM 1666 N ASP A 105 -6.040 1.171 11.026 1.00 0.00 N ATOM 1667 CA ASP A 105 -4.596 1.281 11.192 1.00 0.00 C ATOM 1668 C ASP A 105 -3.994 2.193 10.128 1.00 0.00 C ATOM 1669 O ASP A 105 -3.036 2.922 10.389 1.00 0.00 O ATOM 1670 CB ASP A 105 -3.947 -0.102 11.122 1.00 0.00 C ATOM 1671 CG ASP A 105 -3.978 -0.824 12.455 1.00 0.00 C ATOM 1672 OD1 ASP A 105 -4.988 -0.692 13.177 1.00 0.00 O ATOM 1673 OD2 ASP A 105 -2.992 -1.520 12.777 1.00 0.00 O ATOM 0 H ASP A 105 -6.415 0.239 11.203 1.00 0.00 H new ATOM 0 HA ASP A 105 -4.400 1.717 12.171 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -4.462 -0.704 10.374 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -2.913 0.001 10.792 1.00 0.00 H new ATOM 1678 N LEU A 106 -4.561 2.147 8.927 1.00 0.00 N ATOM 1679 CA LEU A 106 -4.080 2.968 7.822 1.00 0.00 C ATOM 1680 C LEU A 106 -4.805 4.310 7.785 1.00 0.00 C ATOM 1681 O LEU A 106 -4.178 5.363 7.669 1.00 0.00 O ATOM 1682 CB LEU A 106 -4.273 2.235 6.493 1.00 0.00 C ATOM 1683 CG LEU A 106 -3.807 2.979 5.241 1.00 0.00 C ATOM 1684 CD1 LEU A 106 -2.290 2.963 5.144 1.00 0.00 C ATOM 1685 CD2 LEU A 106 -4.430 2.367 3.995 1.00 0.00 C ATOM 0 H LEU A 106 -5.354 1.550 8.694 1.00 0.00 H new ATOM 0 HA LEU A 106 -3.017 3.154 7.976 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -3.742 1.285 6.545 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -5.332 2.003 6.380 1.00 0.00 H new ATOM 0 HG LEU A 106 -4.134 4.016 5.315 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -1.977 3.497 4.247 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -1.864 3.448 6.022 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -1.940 1.932 5.093 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -4.088 2.909 3.113 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -4.133 1.321 3.916 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -5.516 2.432 4.062 1.00 0.00 H new ATOM 1697 N PHE A 107 -6.129 4.264 7.886 1.00 0.00 N ATOM 1698 CA PHE A 107 -6.940 5.476 7.865 1.00 0.00 C ATOM 1699 C PHE A 107 -6.423 6.493 8.878 1.00 0.00 C ATOM 1700 O PHE A 107 -5.882 7.535 8.507 1.00 0.00 O ATOM 1701 CB PHE A 107 -8.403 5.141 8.163 1.00 0.00 C ATOM 1702 CG PHE A 107 -9.346 6.277 7.887 1.00 0.00 C ATOM 1703 CD1 PHE A 107 -9.263 6.992 6.703 1.00 0.00 C ATOM 1704 CD2 PHE A 107 -10.315 6.630 8.812 1.00 0.00 C ATOM 1705 CE1 PHE A 107 -10.128 8.038 6.447 1.00 0.00 C ATOM 1706 CE2 PHE A 107 -11.185 7.676 8.561 1.00 0.00 C ATOM 1707 CZ PHE A 107 -11.091 8.380 7.376 1.00 0.00 C ATOM 0 H PHE A 107 -6.663 3.401 7.983 1.00 0.00 H new ATOM 0 HA PHE A 107 -6.870 5.913 6.869 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -8.699 4.280 7.564 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -8.495 4.849 9.209 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -8.513 6.728 5.972 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -10.392 6.082 9.740 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -10.051 8.588 5.521 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -11.936 7.942 9.290 1.00 0.00 H new ATOM 0 HZ PHE A 107 -11.769 9.196 7.176 1.00 0.00 H new ATOM 1717 N ASP A 108 -6.593 6.184 10.158 1.00 0.00 N ATOM 1718 CA ASP A 108 -6.144 7.070 11.226 1.00 0.00 C ATOM 1719 C ASP A 108 -4.620 7.140 11.269 1.00 0.00 C ATOM 1720 O ASP A 108 -4.046 7.958 11.987 1.00 0.00 O ATOM 1721 CB ASP A 108 -6.683 6.592 12.575 1.00 0.00 C ATOM 1722 CG ASP A 108 -6.933 7.737 13.537 1.00 0.00 C ATOM 1723 OD1 ASP A 108 -6.057 8.621 13.648 1.00 0.00 O ATOM 1724 OD2 ASP A 108 -8.004 7.750 14.178 1.00 0.00 O ATOM 0 H ASP A 108 -7.039 5.326 10.482 1.00 0.00 H new ATOM 0 HA ASP A 108 -6.530 8.069 11.023 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -7.612 6.044 12.418 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -5.973 5.895 13.021 1.00 0.00 H new ATOM 1729 N VAL A 109 -3.971 6.275 10.496 1.00 0.00 N ATOM 1730 CA VAL A 109 -2.515 6.238 10.445 1.00 0.00 C ATOM 1731 C VAL A 109 -1.930 5.776 11.775 1.00 0.00 C ATOM 1732 O VAL A 109 -0.887 6.265 12.210 1.00 0.00 O ATOM 1733 CB VAL A 109 -1.930 7.619 10.092 1.00 0.00 C ATOM 1734 CG1 VAL A 109 -0.495 7.484 9.607 1.00 0.00 C ATOM 1735 CG2 VAL A 109 -2.792 8.311 9.047 1.00 0.00 C ATOM 0 H VAL A 109 -4.431 5.590 9.896 1.00 0.00 H new ATOM 0 HA VAL A 109 -2.244 5.526 9.665 1.00 0.00 H new ATOM 0 HB VAL A 109 -1.927 8.233 10.992 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -0.099 8.470 9.363 1.00 0.00 H new ATOM 0 HG12 VAL A 109 0.113 7.033 10.391 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -0.469 6.852 8.719 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -2.364 9.285 8.809 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -2.829 7.701 8.144 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -3.801 8.443 9.437 1.00 0.00 H new ATOM 1745 N ARG A 110 -2.609 4.831 12.417 1.00 0.00 N ATOM 1746 CA ARG A 110 -2.157 4.303 13.699 1.00 0.00 C ATOM 1747 C ARG A 110 -0.787 3.646 13.564 1.00 0.00 C ATOM 1748 O ARG A 110 0.197 4.116 14.135 1.00 0.00 O ATOM 1749 CB ARG A 110 -3.168 3.292 14.243 1.00 0.00 C ATOM 1750 CG ARG A 110 -4.598 3.808 14.258 1.00 0.00 C ATOM 1751 CD ARG A 110 -4.839 4.745 15.432 1.00 0.00 C ATOM 1752 NE ARG A 110 -6.224 4.696 15.895 1.00 0.00 N ATOM 1753 CZ ARG A 110 -6.619 5.151 17.079 1.00 0.00 C ATOM 1754 NH1 ARG A 110 -5.739 5.686 17.914 1.00 0.00 N ATOM 1755 NH2 ARG A 110 -7.896 5.071 17.429 1.00 0.00 N ATOM 0 H ARG A 110 -3.474 4.415 12.071 1.00 0.00 H new ATOM 0 HA ARG A 110 -2.074 5.136 14.398 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -3.124 2.386 13.639 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -2.881 3.013 15.257 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -4.807 4.331 13.325 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -5.289 2.967 14.314 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -4.173 4.478 16.252 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -4.590 5.765 15.139 1.00 0.00 H new ATOM 0 HE ARG A 110 -6.926 4.290 15.276 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -4.756 5.749 17.648 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -6.045 6.035 18.823 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -8.575 4.660 16.789 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -8.198 5.421 18.338 1.00 0.00 H new ATOM 1769 N ASP A 111 -0.731 2.557 12.805 1.00 0.00 N ATOM 1770 CA ASP A 111 0.518 1.835 12.594 1.00 0.00 C ATOM 1771 C ASP A 111 0.744 1.561 11.111 1.00 0.00 C ATOM 1772 O ASP A 111 0.224 0.589 10.562 1.00 0.00 O ATOM 1773 CB ASP A 111 0.509 0.519 13.373 1.00 0.00 C ATOM 1774 CG ASP A 111 1.906 0.042 13.720 1.00 0.00 C ATOM 1775 OD1 ASP A 111 2.527 -0.640 12.878 1.00 0.00 O ATOM 1776 OD2 ASP A 111 2.378 0.352 14.834 1.00 0.00 O ATOM 0 H ASP A 111 -1.536 2.155 12.326 1.00 0.00 H new ATOM 0 HA ASP A 111 1.335 2.458 12.958 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -0.066 0.647 14.290 1.00 0.00 H new ATOM 0 HB3 ASP A 111 0.003 -0.246 12.783 1.00 0.00 H new ATOM 1781 N PHE A 112 1.520 2.425 10.466 1.00 0.00 N ATOM 1782 CA PHE A 112 1.813 2.278 9.045 1.00 0.00 C ATOM 1783 C PHE A 112 2.734 1.087 8.800 1.00 0.00 C ATOM 1784 O PHE A 112 2.605 0.383 7.800 1.00 0.00 O ATOM 1785 CB PHE A 112 2.455 3.555 8.499 1.00 0.00 C ATOM 1786 CG PHE A 112 2.559 3.581 7.001 1.00 0.00 C ATOM 1787 CD1 PHE A 112 1.454 3.306 6.212 1.00 0.00 C ATOM 1788 CD2 PHE A 112 3.762 3.882 6.382 1.00 0.00 C ATOM 1789 CE1 PHE A 112 1.547 3.329 4.833 1.00 0.00 C ATOM 1790 CE2 PHE A 112 3.861 3.907 5.004 1.00 0.00 C ATOM 1791 CZ PHE A 112 2.752 3.631 4.228 1.00 0.00 C ATOM 0 H PHE A 112 1.958 3.235 10.905 1.00 0.00 H new ATOM 0 HA PHE A 112 0.873 2.101 8.523 1.00 0.00 H new ATOM 0 HB2 PHE A 112 1.872 4.415 8.830 1.00 0.00 H new ATOM 0 HB3 PHE A 112 3.452 3.662 8.926 1.00 0.00 H new ATOM 0 HD1 PHE A 112 0.509 3.071 6.680 1.00 0.00 H new ATOM 0 HD2 PHE A 112 4.632 4.100 6.984 1.00 0.00 H new ATOM 0 HE1 PHE A 112 0.679 3.111 4.229 1.00 0.00 H new ATOM 0 HE2 PHE A 112 4.805 4.142 4.534 1.00 0.00 H new ATOM 0 HZ PHE A 112 2.827 3.651 3.151 1.00 0.00 H new ATOM 1801 N GLY A 113 3.667 0.868 9.722 1.00 0.00 N ATOM 1802 CA GLY A 113 4.598 -0.237 9.589 1.00 0.00 C ATOM 1803 C GLY A 113 3.899 -1.552 9.307 1.00 0.00 C ATOM 1804 O GLY A 113 4.459 -2.435 8.657 1.00 0.00 O ATOM 0 H GLY A 113 3.794 1.437 10.559 1.00 0.00 H new ATOM 0 HA2 GLY A 113 5.300 -0.022 8.783 1.00 0.00 H new ATOM 0 HA3 GLY A 113 5.182 -0.328 10.505 1.00 0.00 H new ATOM 1808 N LYS A 114 2.672 -1.686 9.798 1.00 0.00 N ATOM 1809 CA LYS A 114 1.895 -2.903 9.597 1.00 0.00 C ATOM 1810 C LYS A 114 1.494 -3.057 8.133 1.00 0.00 C ATOM 1811 O LYS A 114 1.455 -4.167 7.603 1.00 0.00 O ATOM 1812 CB LYS A 114 0.644 -2.886 10.480 1.00 0.00 C ATOM 1813 CG LYS A 114 0.860 -3.503 11.851 1.00 0.00 C ATOM 1814 CD LYS A 114 -0.444 -3.616 12.623 1.00 0.00 C ATOM 1815 CE LYS A 114 -0.208 -4.080 14.052 1.00 0.00 C ATOM 1816 NZ LYS A 114 0.201 -2.955 14.939 1.00 0.00 N ATOM 0 H LYS A 114 2.194 -0.966 10.339 1.00 0.00 H new ATOM 0 HA LYS A 114 2.518 -3.752 9.876 1.00 0.00 H new ATOM 0 HB2 LYS A 114 0.310 -1.856 10.603 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -0.157 -3.422 9.971 1.00 0.00 H new ATOM 0 HG2 LYS A 114 1.305 -4.492 11.740 1.00 0.00 H new ATOM 0 HG3 LYS A 114 1.567 -2.897 12.417 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -0.948 -2.649 12.632 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -1.108 -4.317 12.117 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -1.118 -4.537 14.441 1.00 0.00 H new ATOM 0 HE3 LYS A 114 0.564 -4.849 14.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 0.352 -3.311 15.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 1.083 -2.535 14.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -0.547 -2.232 14.950 1.00 0.00 H new ATOM 1830 N VAL A 115 1.198 -1.935 7.484 1.00 0.00 N ATOM 1831 CA VAL A 115 0.803 -1.945 6.081 1.00 0.00 C ATOM 1832 C VAL A 115 2.001 -2.209 5.175 1.00 0.00 C ATOM 1833 O VAL A 115 1.887 -2.906 4.167 1.00 0.00 O ATOM 1834 CB VAL A 115 0.148 -0.612 5.672 1.00 0.00 C ATOM 1835 CG1 VAL A 115 -0.445 -0.715 4.276 1.00 0.00 C ATOM 1836 CG2 VAL A 115 -0.915 -0.210 6.684 1.00 0.00 C ATOM 0 H VAL A 115 1.224 -1.008 7.908 1.00 0.00 H new ATOM 0 HA VAL A 115 0.077 -2.749 5.963 1.00 0.00 H new ATOM 0 HB VAL A 115 0.916 0.162 5.658 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -0.903 0.236 4.004 1.00 0.00 H new ATOM 0 HG12 VAL A 115 0.343 -0.955 3.563 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -1.201 -1.500 4.259 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -1.368 0.734 6.380 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -1.683 -0.982 6.732 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -0.457 -0.093 7.666 1.00 0.00 H new ATOM 1846 N ILE A 116 3.148 -1.647 5.541 1.00 0.00 N ATOM 1847 CA ILE A 116 4.367 -1.822 4.762 1.00 0.00 C ATOM 1848 C ILE A 116 4.767 -3.292 4.692 1.00 0.00 C ATOM 1849 O ILE A 116 5.067 -3.812 3.618 1.00 0.00 O ATOM 1850 CB ILE A 116 5.535 -1.012 5.355 1.00 0.00 C ATOM 1851 CG1 ILE A 116 5.142 0.459 5.500 1.00 0.00 C ATOM 1852 CG2 ILE A 116 6.773 -1.151 4.481 1.00 0.00 C ATOM 1853 CD1 ILE A 116 6.237 1.322 6.087 1.00 0.00 C ATOM 0 H ILE A 116 3.258 -1.066 6.372 1.00 0.00 H new ATOM 0 HA ILE A 116 4.155 -1.456 3.757 1.00 0.00 H new ATOM 0 HB ILE A 116 5.766 -1.406 6.345 1.00 0.00 H new ATOM 0 HG12 ILE A 116 4.867 0.851 4.521 1.00 0.00 H new ATOM 0 HG13 ILE A 116 4.257 0.530 6.132 1.00 0.00 H new ATOM 0 HG21 ILE A 116 7.590 -0.573 4.913 1.00 0.00 H new ATOM 0 HG22 ILE A 116 7.062 -2.200 4.423 1.00 0.00 H new ATOM 0 HG23 ILE A 116 6.555 -0.779 3.480 1.00 0.00 H new ATOM 0 HD11 ILE A 116 5.888 2.352 6.161 1.00 0.00 H new ATOM 0 HD12 ILE A 116 6.497 0.955 7.080 1.00 0.00 H new ATOM 0 HD13 ILE A 116 7.116 1.282 5.444 1.00 0.00 H new ATOM 1865 N GLU A 117 4.767 -3.956 5.843 1.00 0.00 N ATOM 1866 CA GLU A 117 5.129 -5.367 5.911 1.00 0.00 C ATOM 1867 C GLU A 117 4.365 -6.175 4.866 1.00 0.00 C ATOM 1868 O GLU A 117 4.957 -6.927 4.090 1.00 0.00 O ATOM 1869 CB GLU A 117 4.846 -5.923 7.308 1.00 0.00 C ATOM 1870 CG GLU A 117 5.417 -7.312 7.538 1.00 0.00 C ATOM 1871 CD GLU A 117 6.934 -7.323 7.561 1.00 0.00 C ATOM 1872 OE1 GLU A 117 7.544 -7.081 6.499 1.00 0.00 O ATOM 1873 OE2 GLU A 117 7.509 -7.573 8.640 1.00 0.00 O ATOM 0 H GLU A 117 4.520 -3.540 6.741 1.00 0.00 H new ATOM 0 HA GLU A 117 6.196 -5.452 5.704 1.00 0.00 H new ATOM 0 HB2 GLU A 117 5.260 -5.242 8.052 1.00 0.00 H new ATOM 0 HB3 GLU A 117 3.768 -5.952 7.467 1.00 0.00 H new ATOM 0 HG2 GLU A 117 5.040 -7.704 8.483 1.00 0.00 H new ATOM 0 HG3 GLU A 117 5.064 -7.980 6.752 1.00 0.00 H new ATOM 1880 N THR A 118 3.045 -6.017 4.852 1.00 0.00 N ATOM 1881 CA THR A 118 2.200 -6.732 3.905 1.00 0.00 C ATOM 1882 C THR A 118 2.805 -6.716 2.506 1.00 0.00 C ATOM 1883 O THR A 118 2.827 -7.736 1.816 1.00 0.00 O ATOM 1884 CB THR A 118 0.785 -6.126 3.846 1.00 0.00 C ATOM 1885 OG1 THR A 118 0.231 -6.045 5.164 1.00 0.00 O ATOM 1886 CG2 THR A 118 -0.126 -6.961 2.959 1.00 0.00 C ATOM 0 H THR A 118 2.538 -5.400 5.486 1.00 0.00 H new ATOM 0 HA THR A 118 2.133 -7.761 4.257 1.00 0.00 H new ATOM 0 HB THR A 118 0.861 -5.125 3.422 1.00 0.00 H new ATOM 0 HG1 THR A 118 -0.668 -5.657 5.118 1.00 0.00 H new ATOM 0 HG21 THR A 118 -1.119 -6.513 2.933 1.00 0.00 H new ATOM 0 HG22 THR A 118 0.282 -6.996 1.949 1.00 0.00 H new ATOM 0 HG23 THR A 118 -0.195 -7.973 3.358 1.00 0.00 H new ATOM 1894 N LEU A 119 3.297 -5.553 2.092 1.00 0.00 N ATOM 1895 CA LEU A 119 3.905 -5.405 0.775 1.00 0.00 C ATOM 1896 C LEU A 119 5.270 -6.084 0.725 1.00 0.00 C ATOM 1897 O LEU A 119 5.688 -6.583 -0.320 1.00 0.00 O ATOM 1898 CB LEU A 119 4.047 -3.924 0.420 1.00 0.00 C ATOM 1899 CG LEU A 119 2.825 -3.047 0.699 1.00 0.00 C ATOM 1900 CD1 LEU A 119 3.162 -1.579 0.488 1.00 0.00 C ATOM 1901 CD2 LEU A 119 1.659 -3.461 -0.187 1.00 0.00 C ATOM 0 H LEU A 119 3.286 -4.699 2.650 1.00 0.00 H new ATOM 0 HA LEU A 119 3.253 -5.886 0.046 1.00 0.00 H new ATOM 0 HB2 LEU A 119 4.894 -3.518 0.972 1.00 0.00 H new ATOM 0 HB3 LEU A 119 4.291 -3.847 -0.640 1.00 0.00 H new ATOM 0 HG LEU A 119 2.532 -3.185 1.740 1.00 0.00 H new ATOM 0 HD11 LEU A 119 2.281 -0.971 0.691 1.00 0.00 H new ATOM 0 HD12 LEU A 119 3.966 -1.290 1.164 1.00 0.00 H new ATOM 0 HD13 LEU A 119 3.481 -1.423 -0.543 1.00 0.00 H new ATOM 0 HD21 LEU A 119 0.798 -2.827 0.025 1.00 0.00 H new ATOM 0 HD22 LEU A 119 1.941 -3.352 -1.234 1.00 0.00 H new ATOM 0 HD23 LEU A 119 1.401 -4.501 0.013 1.00 0.00 H new ATOM 1913 N SER A 120 5.958 -6.102 1.862 1.00 0.00 N ATOM 1914 CA SER A 120 7.277 -6.719 1.947 1.00 0.00 C ATOM 1915 C SER A 120 7.207 -8.201 1.595 1.00 0.00 C ATOM 1916 O SER A 120 8.100 -8.738 0.940 1.00 0.00 O ATOM 1917 CB SER A 120 7.855 -6.543 3.353 1.00 0.00 C ATOM 1918 OG SER A 120 9.271 -6.591 3.331 1.00 0.00 O ATOM 0 H SER A 120 5.624 -5.697 2.737 1.00 0.00 H new ATOM 0 HA SER A 120 7.930 -6.224 1.229 1.00 0.00 H new ATOM 0 HB2 SER A 120 7.527 -5.590 3.768 1.00 0.00 H new ATOM 0 HB3 SER A 120 7.471 -7.325 4.008 1.00 0.00 H new ATOM 0 HG SER A 120 9.616 -6.474 4.241 1.00 0.00 H new ATOM 1924 N ARG A 121 6.139 -8.858 2.036 1.00 0.00 N ATOM 1925 CA ARG A 121 5.951 -10.279 1.770 1.00 0.00 C ATOM 1926 C ARG A 121 5.198 -10.492 0.460 1.00 0.00 C ATOM 1927 O ARG A 121 5.450 -11.456 -0.264 1.00 0.00 O ATOM 1928 CB ARG A 121 5.191 -10.939 2.921 1.00 0.00 C ATOM 1929 CG ARG A 121 3.800 -10.366 3.141 1.00 0.00 C ATOM 1930 CD ARG A 121 2.965 -11.261 4.043 1.00 0.00 C ATOM 1931 NE ARG A 121 3.660 -11.587 5.285 1.00 0.00 N ATOM 1932 CZ ARG A 121 3.776 -10.745 6.306 1.00 0.00 C ATOM 1933 NH1 ARG A 121 3.245 -9.532 6.232 1.00 0.00 N ATOM 1934 NH2 ARG A 121 4.424 -11.115 7.403 1.00 0.00 N ATOM 0 H ARG A 121 5.390 -8.428 2.579 1.00 0.00 H new ATOM 0 HA ARG A 121 6.935 -10.740 1.682 1.00 0.00 H new ATOM 0 HB2 ARG A 121 5.107 -12.008 2.724 1.00 0.00 H new ATOM 0 HB3 ARG A 121 5.770 -10.828 3.838 1.00 0.00 H new ATOM 0 HG2 ARG A 121 3.880 -9.374 3.585 1.00 0.00 H new ATOM 0 HG3 ARG A 121 3.299 -10.246 2.181 1.00 0.00 H new ATOM 0 HD2 ARG A 121 2.023 -10.764 4.274 1.00 0.00 H new ATOM 0 HD3 ARG A 121 2.719 -12.181 3.513 1.00 0.00 H new ATOM 0 HE ARG A 121 4.080 -12.512 5.374 1.00 0.00 H new ATOM 0 HH11 ARG A 121 2.746 -9.244 5.390 1.00 0.00 H new ATOM 0 HH12 ARG A 121 3.335 -8.887 7.017 1.00 0.00 H new ATOM 0 HH21 ARG A 121 4.834 -12.047 7.463 1.00 0.00 H new ATOM 0 HH22 ARG A 121 4.512 -10.467 8.186 1.00 0.00 H new ATOM 1948 N LEU A 122 4.273 -9.586 0.162 1.00 0.00 N ATOM 1949 CA LEU A 122 3.482 -9.674 -1.061 1.00 0.00 C ATOM 1950 C LEU A 122 4.381 -9.870 -2.278 1.00 0.00 C ATOM 1951 O LEU A 122 4.145 -10.755 -3.100 1.00 0.00 O ATOM 1952 CB LEU A 122 2.634 -8.413 -1.236 1.00 0.00 C ATOM 1953 CG LEU A 122 1.923 -8.263 -2.581 1.00 0.00 C ATOM 1954 CD1 LEU A 122 0.896 -9.369 -2.767 1.00 0.00 C ATOM 1955 CD2 LEU A 122 1.263 -6.896 -2.686 1.00 0.00 C ATOM 0 H LEU A 122 4.052 -8.782 0.750 1.00 0.00 H new ATOM 0 HA LEU A 122 2.823 -10.538 -0.977 1.00 0.00 H new ATOM 0 HB2 LEU A 122 1.883 -8.392 -0.446 1.00 0.00 H new ATOM 0 HB3 LEU A 122 3.276 -7.544 -1.088 1.00 0.00 H new ATOM 0 HG LEU A 122 2.665 -8.347 -3.375 1.00 0.00 H new ATOM 0 HD11 LEU A 122 0.400 -9.246 -3.730 1.00 0.00 H new ATOM 0 HD12 LEU A 122 1.395 -10.338 -2.737 1.00 0.00 H new ATOM 0 HD13 LEU A 122 0.156 -9.317 -1.968 1.00 0.00 H new ATOM 0 HD21 LEU A 122 0.762 -6.807 -3.650 1.00 0.00 H new ATOM 0 HD22 LEU A 122 0.532 -6.782 -1.885 1.00 0.00 H new ATOM 0 HD23 LEU A 122 2.021 -6.118 -2.598 1.00 0.00 H new ATOM 1967 N SER A 123 5.412 -9.038 -2.385 1.00 0.00 N ATOM 1968 CA SER A 123 6.346 -9.118 -3.502 1.00 0.00 C ATOM 1969 C SER A 123 6.714 -10.569 -3.800 1.00 0.00 C ATOM 1970 O SER A 123 6.932 -10.941 -4.953 1.00 0.00 O ATOM 1971 CB SER A 123 7.610 -8.312 -3.197 1.00 0.00 C ATOM 1972 OG SER A 123 8.380 -8.936 -2.184 1.00 0.00 O ATOM 0 H SER A 123 5.622 -8.301 -1.712 1.00 0.00 H new ATOM 0 HA SER A 123 5.859 -8.697 -4.381 1.00 0.00 H new ATOM 0 HB2 SER A 123 8.208 -8.211 -4.103 1.00 0.00 H new ATOM 0 HB3 SER A 123 7.336 -7.305 -2.882 1.00 0.00 H new ATOM 0 HG SER A 123 8.050 -8.657 -1.304 1.00 0.00 H new ATOM 1978 N ARG A 124 6.780 -11.383 -2.752 1.00 0.00 N ATOM 1979 CA ARG A 124 7.122 -12.792 -2.900 1.00 0.00 C ATOM 1980 C ARG A 124 6.226 -13.464 -3.936 1.00 0.00 C ATOM 1981 O ARG A 124 6.693 -14.250 -4.761 1.00 0.00 O ATOM 1982 CB ARG A 124 6.995 -13.514 -1.556 1.00 0.00 C ATOM 1983 CG ARG A 124 7.957 -13.001 -0.497 1.00 0.00 C ATOM 1984 CD ARG A 124 7.925 -13.869 0.751 1.00 0.00 C ATOM 1985 NE ARG A 124 9.056 -13.599 1.635 1.00 0.00 N ATOM 1986 CZ ARG A 124 10.285 -14.053 1.416 1.00 0.00 C ATOM 1987 NH1 ARG A 124 10.540 -14.796 0.348 1.00 0.00 N ATOM 1988 NH2 ARG A 124 11.262 -13.765 2.267 1.00 0.00 N ATOM 0 H ARG A 124 6.601 -11.091 -1.791 1.00 0.00 H new ATOM 0 HA ARG A 124 8.155 -12.854 -3.243 1.00 0.00 H new ATOM 0 HB2 ARG A 124 5.974 -13.406 -1.190 1.00 0.00 H new ATOM 0 HB3 ARG A 124 7.169 -14.579 -1.707 1.00 0.00 H new ATOM 0 HG2 ARG A 124 8.969 -12.981 -0.902 1.00 0.00 H new ATOM 0 HG3 ARG A 124 7.698 -11.975 -0.235 1.00 0.00 H new ATOM 0 HD2 ARG A 124 6.994 -13.694 1.290 1.00 0.00 H new ATOM 0 HD3 ARG A 124 7.934 -14.920 0.462 1.00 0.00 H new ATOM 0 HE ARG A 124 8.893 -13.031 2.466 1.00 0.00 H new ATOM 0 HH11 ARG A 124 9.792 -15.020 -0.308 1.00 0.00 H new ATOM 0 HH12 ARG A 124 11.485 -15.143 0.182 1.00 0.00 H new ATOM 0 HH21 ARG A 124 11.070 -13.194 3.090 1.00 0.00 H new ATOM 0 HH22 ARG A 124 12.205 -14.114 2.098 1.00 0.00 H new ATOM 2002 N THR A 125 4.935 -13.149 -3.887 1.00 0.00 N ATOM 2003 CA THR A 125 3.973 -13.723 -4.820 1.00 0.00 C ATOM 2004 C THR A 125 4.555 -13.808 -6.226 1.00 0.00 C ATOM 2005 O THR A 125 5.392 -13.000 -6.628 1.00 0.00 O ATOM 2006 CB THR A 125 2.673 -12.898 -4.864 1.00 0.00 C ATOM 2007 OG1 THR A 125 2.961 -11.549 -5.250 1.00 0.00 O ATOM 2008 CG2 THR A 125 1.981 -12.906 -3.509 1.00 0.00 C ATOM 0 H THR A 125 4.532 -12.500 -3.211 1.00 0.00 H new ATOM 0 HA THR A 125 3.746 -14.727 -4.462 1.00 0.00 H new ATOM 0 HB THR A 125 2.006 -13.351 -5.598 1.00 0.00 H new ATOM 0 HG1 THR A 125 3.622 -11.167 -4.636 1.00 0.00 H new ATOM 0 HG21 THR A 125 1.066 -12.317 -3.565 1.00 0.00 H new ATOM 0 HG22 THR A 125 1.737 -13.931 -3.231 1.00 0.00 H new ATOM 0 HG23 THR A 125 2.645 -12.475 -2.759 1.00 0.00 H new ATOM 2016 N PRO A 126 4.102 -14.810 -6.995 1.00 0.00 N ATOM 2017 CA PRO A 126 4.564 -15.024 -8.369 1.00 0.00 C ATOM 2018 C PRO A 126 4.070 -13.941 -9.322 1.00 0.00 C ATOM 2019 O PRO A 126 4.451 -13.910 -10.493 1.00 0.00 O ATOM 2020 CB PRO A 126 3.956 -16.380 -8.741 1.00 0.00 C ATOM 2021 CG PRO A 126 2.757 -16.509 -7.866 1.00 0.00 C ATOM 2022 CD PRO A 126 3.104 -15.811 -6.581 1.00 0.00 C ATOM 0 HA PRO A 126 5.651 -14.994 -8.442 1.00 0.00 H new ATOM 0 HB2 PRO A 126 3.682 -16.416 -9.796 1.00 0.00 H new ATOM 0 HB3 PRO A 126 4.662 -17.192 -8.567 1.00 0.00 H new ATOM 0 HG2 PRO A 126 1.883 -16.055 -8.333 1.00 0.00 H new ATOM 0 HG3 PRO A 126 2.515 -17.557 -7.688 1.00 0.00 H new ATOM 0 HD2 PRO A 126 2.229 -15.343 -6.129 1.00 0.00 H new ATOM 0 HD3 PRO A 126 3.511 -16.504 -5.845 1.00 0.00 H new ATOM 2030 N ILE A 127 3.223 -13.053 -8.813 1.00 0.00 N ATOM 2031 CA ILE A 127 2.680 -11.967 -9.619 1.00 0.00 C ATOM 2032 C ILE A 127 3.561 -10.725 -9.534 1.00 0.00 C ATOM 2033 O ILE A 127 3.765 -10.028 -10.527 1.00 0.00 O ATOM 2034 CB ILE A 127 1.251 -11.599 -9.178 1.00 0.00 C ATOM 2035 CG1 ILE A 127 0.326 -12.812 -9.304 1.00 0.00 C ATOM 2036 CG2 ILE A 127 0.724 -10.436 -10.006 1.00 0.00 C ATOM 2037 CD1 ILE A 127 0.268 -13.659 -8.052 1.00 0.00 C ATOM 0 H ILE A 127 2.898 -13.064 -7.846 1.00 0.00 H new ATOM 0 HA ILE A 127 2.654 -12.322 -10.649 1.00 0.00 H new ATOM 0 HB ILE A 127 1.277 -11.293 -8.132 1.00 0.00 H new ATOM 0 HG12 ILE A 127 -0.679 -12.469 -9.548 1.00 0.00 H new ATOM 0 HG13 ILE A 127 0.662 -13.430 -10.136 1.00 0.00 H new ATOM 0 HG21 ILE A 127 -0.287 -10.188 -9.683 1.00 0.00 H new ATOM 0 HG22 ILE A 127 1.372 -9.570 -9.870 1.00 0.00 H new ATOM 0 HG23 ILE A 127 0.709 -10.716 -11.059 1.00 0.00 H new ATOM 0 HD11 ILE A 127 -0.406 -14.500 -8.213 1.00 0.00 H new ATOM 0 HD12 ILE A 127 1.265 -14.032 -7.819 1.00 0.00 H new ATOM 0 HD13 ILE A 127 -0.097 -13.055 -7.221 1.00 0.00 H new ATOM 2049 N ALA A 128 4.083 -10.457 -8.342 1.00 0.00 N ATOM 2050 CA ALA A 128 4.946 -9.302 -8.128 1.00 0.00 C ATOM 2051 C ALA A 128 6.298 -9.494 -8.807 1.00 0.00 C ATOM 2052 O ALA A 128 6.822 -8.576 -9.440 1.00 0.00 O ATOM 2053 CB ALA A 128 5.133 -9.051 -6.639 1.00 0.00 C ATOM 0 H ALA A 128 3.923 -11.024 -7.509 1.00 0.00 H new ATOM 0 HA ALA A 128 4.464 -8.432 -8.574 1.00 0.00 H new ATOM 0 HB1 ALA A 128 5.780 -8.186 -6.494 1.00 0.00 H new ATOM 0 HB2 ALA A 128 4.164 -8.861 -6.178 1.00 0.00 H new ATOM 0 HB3 ALA A 128 5.590 -9.926 -6.177 1.00 0.00 H new ATOM 2059 N LEU A 129 6.859 -10.691 -8.671 1.00 0.00 N ATOM 2060 CA LEU A 129 8.151 -11.003 -9.271 1.00 0.00 C ATOM 2061 C LEU A 129 8.041 -11.080 -10.791 1.00 0.00 C ATOM 2062 O LEU A 129 8.931 -10.628 -11.511 1.00 0.00 O ATOM 2063 CB LEU A 129 8.686 -12.325 -8.720 1.00 0.00 C ATOM 2064 CG LEU A 129 8.792 -12.424 -7.197 1.00 0.00 C ATOM 2065 CD1 LEU A 129 9.157 -13.839 -6.778 1.00 0.00 C ATOM 2066 CD2 LEU A 129 9.814 -11.428 -6.669 1.00 0.00 C ATOM 0 H LEU A 129 6.439 -11.461 -8.150 1.00 0.00 H new ATOM 0 HA LEU A 129 8.845 -10.203 -9.015 1.00 0.00 H new ATOM 0 HB2 LEU A 129 8.041 -13.130 -9.072 1.00 0.00 H new ATOM 0 HB3 LEU A 129 9.674 -12.499 -9.145 1.00 0.00 H new ATOM 0 HG LEU A 129 7.821 -12.180 -6.767 1.00 0.00 H new ATOM 0 HD11 LEU A 129 9.228 -13.890 -5.691 1.00 0.00 H new ATOM 0 HD12 LEU A 129 8.389 -14.531 -7.124 1.00 0.00 H new ATOM 0 HD13 LEU A 129 10.116 -14.113 -7.217 1.00 0.00 H new ATOM 0 HD21 LEU A 129 9.877 -11.512 -5.584 1.00 0.00 H new ATOM 0 HD22 LEU A 129 10.789 -11.641 -7.106 1.00 0.00 H new ATOM 0 HD23 LEU A 129 9.509 -10.417 -6.938 1.00 0.00 H new ATOM 2078 N ALA A 130 6.943 -11.654 -11.271 1.00 0.00 N ATOM 2079 CA ALA A 130 6.714 -11.786 -12.705 1.00 0.00 C ATOM 2080 C ALA A 130 7.166 -10.535 -13.450 1.00 0.00 C ATOM 2081 O ALA A 130 7.894 -10.617 -14.440 1.00 0.00 O ATOM 2082 CB ALA A 130 5.245 -12.066 -12.982 1.00 0.00 C ATOM 0 H ALA A 130 6.198 -12.035 -10.688 1.00 0.00 H new ATOM 0 HA ALA A 130 7.306 -12.627 -13.066 1.00 0.00 H new ATOM 0 HB1 ALA A 130 5.089 -12.162 -14.057 1.00 0.00 H new ATOM 0 HB2 ALA A 130 4.952 -12.993 -12.489 1.00 0.00 H new ATOM 0 HB3 ALA A 130 4.640 -11.244 -12.600 1.00 0.00 H new ATOM 2088 N THR A 131 6.728 -9.375 -12.970 1.00 0.00 N ATOM 2089 CA THR A 131 7.086 -8.106 -13.592 1.00 0.00 C ATOM 2090 C THR A 131 8.599 -7.954 -13.700 1.00 0.00 C ATOM 2091 O THR A 131 9.109 -7.412 -14.680 1.00 0.00 O ATOM 2092 CB THR A 131 6.517 -6.913 -12.802 1.00 0.00 C ATOM 2093 OG1 THR A 131 7.177 -6.804 -11.535 1.00 0.00 O ATOM 2094 CG2 THR A 131 5.019 -7.071 -12.586 1.00 0.00 C ATOM 0 H THR A 131 6.125 -9.288 -12.152 1.00 0.00 H new ATOM 0 HA THR A 131 6.652 -8.111 -14.592 1.00 0.00 H new ATOM 0 HB THR A 131 6.691 -6.007 -13.382 1.00 0.00 H new ATOM 0 HG1 THR A 131 6.906 -7.550 -10.960 1.00 0.00 H new ATOM 0 HG21 THR A 131 4.640 -6.216 -12.026 1.00 0.00 H new ATOM 0 HG22 THR A 131 4.516 -7.124 -13.551 1.00 0.00 H new ATOM 0 HG23 THR A 131 4.827 -7.986 -12.026 1.00 0.00 H new ATOM 2102 N GLY A 132 9.312 -8.437 -12.687 1.00 0.00 N ATOM 2103 CA GLY A 132 10.760 -8.345 -12.689 1.00 0.00 C ATOM 2104 C GLY A 132 11.270 -7.205 -11.831 1.00 0.00 C ATOM 2105 O GLY A 132 12.401 -6.748 -12.002 1.00 0.00 O ATOM 0 H GLY A 132 8.913 -8.890 -11.865 1.00 0.00 H new ATOM 0 HA2 GLY A 132 11.181 -9.283 -12.328 1.00 0.00 H new ATOM 0 HA3 GLY A 132 11.111 -8.211 -13.712 1.00 0.00 H new ATOM 2109 N ILE A 133 10.435 -6.743 -10.906 1.00 0.00 N ATOM 2110 CA ILE A 133 10.808 -5.649 -10.018 1.00 0.00 C ATOM 2111 C ILE A 133 11.685 -6.144 -8.874 1.00 0.00 C ATOM 2112 O ILE A 133 11.404 -7.176 -8.264 1.00 0.00 O ATOM 2113 CB ILE A 133 9.566 -4.951 -9.433 1.00 0.00 C ATOM 2114 CG1 ILE A 133 8.701 -4.374 -10.556 1.00 0.00 C ATOM 2115 CG2 ILE A 133 9.982 -3.856 -8.462 1.00 0.00 C ATOM 2116 CD1 ILE A 133 7.283 -4.067 -10.129 1.00 0.00 C ATOM 0 H ILE A 133 9.496 -7.109 -10.752 1.00 0.00 H new ATOM 0 HA ILE A 133 11.369 -4.933 -10.618 1.00 0.00 H new ATOM 0 HB ILE A 133 8.976 -5.688 -8.888 1.00 0.00 H new ATOM 0 HG12 ILE A 133 9.165 -3.461 -10.929 1.00 0.00 H new ATOM 0 HG13 ILE A 133 8.677 -5.081 -11.385 1.00 0.00 H new ATOM 0 HG21 ILE A 133 9.093 -3.372 -8.057 1.00 0.00 H new ATOM 0 HG22 ILE A 133 10.561 -4.292 -7.648 1.00 0.00 H new ATOM 0 HG23 ILE A 133 10.591 -3.118 -8.985 1.00 0.00 H new ATOM 0 HD11 ILE A 133 6.728 -3.661 -10.975 1.00 0.00 H new ATOM 0 HD12 ILE A 133 6.801 -4.982 -9.784 1.00 0.00 H new ATOM 0 HD13 ILE A 133 7.297 -3.336 -9.320 1.00 0.00 H new ATOM 2128 N ARG A 134 12.749 -5.400 -8.587 1.00 0.00 N ATOM 2129 CA ARG A 134 13.668 -5.763 -7.515 1.00 0.00 C ATOM 2130 C ARG A 134 12.904 -6.158 -6.255 1.00 0.00 C ATOM 2131 O ARG A 134 11.983 -5.470 -5.816 1.00 0.00 O ATOM 2132 CB ARG A 134 14.612 -4.599 -7.208 1.00 0.00 C ATOM 2133 CG ARG A 134 13.894 -3.284 -6.950 1.00 0.00 C ATOM 2134 CD ARG A 134 14.872 -2.179 -6.581 1.00 0.00 C ATOM 2135 NE ARG A 134 15.380 -2.331 -5.220 1.00 0.00 N ATOM 2136 CZ ARG A 134 15.990 -1.359 -4.551 1.00 0.00 C ATOM 2137 NH1 ARG A 134 16.167 -0.172 -5.114 1.00 0.00 N ATOM 2138 NH2 ARG A 134 16.424 -1.573 -3.315 1.00 0.00 N ATOM 0 H ARG A 134 12.995 -4.543 -9.082 1.00 0.00 H new ATOM 0 HA ARG A 134 14.254 -6.620 -7.847 1.00 0.00 H new ATOM 0 HB2 ARG A 134 15.215 -4.851 -6.335 1.00 0.00 H new ATOM 0 HB3 ARG A 134 15.300 -4.470 -8.044 1.00 0.00 H new ATOM 0 HG2 ARG A 134 13.333 -2.994 -7.839 1.00 0.00 H new ATOM 0 HG3 ARG A 134 13.170 -3.415 -6.145 1.00 0.00 H new ATOM 0 HD2 ARG A 134 15.706 -2.184 -7.282 1.00 0.00 H new ATOM 0 HD3 ARG A 134 14.380 -1.211 -6.678 1.00 0.00 H new ATOM 0 HE ARG A 134 15.260 -3.233 -4.758 1.00 0.00 H new ATOM 0 HH11 ARG A 134 15.834 -0.003 -6.063 1.00 0.00 H new ATOM 0 HH12 ARG A 134 16.636 0.572 -4.598 1.00 0.00 H new ATOM 0 HH21 ARG A 134 16.289 -2.485 -2.878 1.00 0.00 H new ATOM 0 HH22 ARG A 134 16.892 -0.826 -2.802 1.00 0.00 H new ATOM 2152 N PRO A 135 13.295 -7.294 -5.658 1.00 0.00 N ATOM 2153 CA PRO A 135 12.660 -7.807 -4.440 1.00 0.00 C ATOM 2154 C PRO A 135 12.967 -6.945 -3.220 1.00 0.00 C ATOM 2155 O PRO A 135 14.064 -6.401 -3.092 1.00 0.00 O ATOM 2156 CB PRO A 135 13.275 -9.200 -4.279 1.00 0.00 C ATOM 2157 CG PRO A 135 14.587 -9.118 -4.980 1.00 0.00 C ATOM 2158 CD PRO A 135 14.386 -8.165 -6.126 1.00 0.00 C ATOM 0 HA PRO A 135 11.573 -7.813 -4.518 1.00 0.00 H new ATOM 0 HB2 PRO A 135 13.403 -9.457 -3.228 1.00 0.00 H new ATOM 0 HB3 PRO A 135 12.638 -9.967 -4.719 1.00 0.00 H new ATOM 0 HG2 PRO A 135 15.367 -8.761 -4.308 1.00 0.00 H new ATOM 0 HG3 PRO A 135 14.900 -10.099 -5.338 1.00 0.00 H new ATOM 0 HD2 PRO A 135 15.291 -7.596 -6.339 1.00 0.00 H new ATOM 0 HD3 PRO A 135 14.116 -8.690 -7.042 1.00 0.00 H new