USER MOD reduce.3.24.130724 H: found=0, std=0, add=864, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 864 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 27 LYS NZ :NH3+ -110:sc= 0.987 (180deg=-0.0462) USER MOD Set 1.2: A 59 THR OG1 : rot -171:sc= 0.881 USER MOD Set 2.1: A 9 CYS SG : rot 23:sc= 0.884 USER MOD Set 2.2: A 14 THR OG1 : rot 89:sc= -1.51! USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 HIS : no HD1:sc= -0.0423 K(o=-0.042,f=-0.82) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.107 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 HIS : no HE2:sc= -0.715 K(o=-0.72,f=-1.3) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ -154:sc= 0 (180deg=-0.111) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 THR OG1 : rot -120:sc= -0.0746 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 CYS SG : rot 180:sc= 1.07 USER MOD Single : A 41 CYS SG : rot 180:sc= -0.882 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl 159:sc=-0.00929 (180deg=-0.84) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -2.62! K(o=-2.6!,f=-1.1) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 MET CE :methyl 165:sc= -2.1 (180deg=-2.17) USER MOD Single : A 82 THR OG1 : rot 89:sc= 0.807 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot -4:sc= 0.0686 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 THR OG1 : rot 88:sc= 0.0352 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 HIS : no HD1:sc= -0.184 X(o=-0.18,f=0.026) USER MOD ----------------------------------------------------------------- ATOM 28 N GLU A 3 -9.848 7.207 11.179 1.00 0.00 N ATOM 29 CA GLU A 3 -8.463 6.948 10.752 1.00 0.00 C ATOM 30 C GLU A 3 -8.384 5.851 9.623 1.00 0.00 C ATOM 31 O GLU A 3 -9.356 5.091 9.445 1.00 0.00 O ATOM 32 CB GLU A 3 -7.429 6.671 11.911 1.00 0.00 C ATOM 33 CG GLU A 3 -7.686 5.354 12.702 1.00 0.00 C ATOM 34 CD GLU A 3 -6.590 5.001 13.707 1.00 0.00 C ATOM 35 OE1 GLU A 3 -5.736 4.191 13.454 1.00 0.00 O ATOM 36 OE2 GLU A 3 -6.686 5.681 14.919 1.00 0.00 O ATOM 0 HA GLU A 3 -8.141 7.900 10.330 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -6.426 6.635 11.486 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -7.450 7.509 12.608 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -8.634 5.441 13.232 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -7.791 4.533 11.993 1.00 0.00 H new ATOM 44 N GLY A 4 -7.194 5.827 9.057 1.00 0.00 N ATOM 45 CA GLY A 4 -6.684 4.656 8.211 1.00 0.00 C ATOM 46 C GLY A 4 -6.297 3.483 9.070 1.00 0.00 C ATOM 47 O GLY A 4 -6.130 3.595 10.296 1.00 0.00 O ATOM 0 H GLY A 4 -6.523 6.591 9.142 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -7.457 4.352 7.505 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -5.824 4.978 7.623 1.00 0.00 H new ATOM 51 N GLN A 5 -5.940 2.382 8.419 1.00 0.00 N ATOM 52 CA GLN A 5 -5.712 1.130 9.115 1.00 0.00 C ATOM 53 C GLN A 5 -4.832 0.236 8.203 1.00 0.00 C ATOM 54 O GLN A 5 -5.140 -0.147 7.077 1.00 0.00 O ATOM 55 CB GLN A 5 -7.053 0.492 9.492 1.00 0.00 C ATOM 56 CG GLN A 5 -7.954 -0.015 8.364 1.00 0.00 C ATOM 57 CD GLN A 5 -9.388 -0.310 8.718 1.00 0.00 C ATOM 58 OE1 GLN A 5 -10.321 0.411 8.449 1.00 0.00 O ATOM 59 NE2 GLN A 5 -9.705 -1.436 9.281 1.00 0.00 N ATOM 0 H GLN A 5 -5.803 2.335 7.409 1.00 0.00 H new ATOM 0 HA GLN A 5 -5.180 1.278 10.055 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -6.848 -0.347 10.157 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -7.620 1.224 10.068 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -7.947 0.727 7.565 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -7.511 -0.924 7.958 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -8.975 -2.100 9.539 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -10.684 -1.656 9.465 1.00 0.00 H new ATOM 68 N VAL A 6 -3.760 -0.206 8.797 1.00 0.00 N ATOM 69 CA VAL A 6 -2.794 -1.214 8.358 1.00 0.00 C ATOM 70 C VAL A 6 -3.291 -2.676 8.725 1.00 0.00 C ATOM 71 O VAL A 6 -3.653 -3.050 9.884 1.00 0.00 O ATOM 72 CB VAL A 6 -1.253 -0.948 8.866 1.00 0.00 C ATOM 73 CG1 VAL A 6 -0.275 -1.971 8.354 1.00 0.00 C ATOM 74 CG2 VAL A 6 -0.702 0.497 8.599 1.00 0.00 C ATOM 0 H VAL A 6 -3.498 0.166 9.710 1.00 0.00 H new ATOM 0 HA VAL A 6 -2.748 -1.123 7.273 1.00 0.00 H new ATOM 0 HB VAL A 6 -1.337 -1.053 9.948 1.00 0.00 H new ATOM 0 HG11 VAL A 6 0.723 -1.738 8.725 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -0.569 -2.961 8.701 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -0.269 -1.955 7.264 1.00 0.00 H new ATOM 0 HG21 VAL A 6 0.320 0.571 8.970 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -0.715 0.699 7.528 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -1.328 1.226 9.113 1.00 0.00 H new ATOM 84 N ILE A 7 -3.357 -3.527 7.627 1.00 0.00 N ATOM 85 CA ILE A 7 -3.773 -4.951 7.539 1.00 0.00 C ATOM 86 C ILE A 7 -2.646 -5.890 6.829 1.00 0.00 C ATOM 87 O ILE A 7 -2.344 -5.816 5.667 1.00 0.00 O ATOM 88 CB ILE A 7 -5.282 -4.989 7.114 1.00 0.00 C ATOM 89 CG1 ILE A 7 -6.155 -6.224 7.667 1.00 0.00 C ATOM 90 CG2 ILE A 7 -5.511 -4.794 5.606 1.00 0.00 C ATOM 91 CD1 ILE A 7 -5.735 -7.603 7.113 1.00 0.00 C ATOM 0 H ILE A 7 -3.091 -3.179 6.706 1.00 0.00 H new ATOM 0 HA ILE A 7 -3.787 -5.478 8.493 1.00 0.00 H new ATOM 0 HB ILE A 7 -5.668 -4.113 7.635 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -6.083 -6.246 8.754 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -7.203 -6.051 7.421 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -6.579 -4.833 5.392 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -5.115 -3.826 5.300 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -5.002 -5.585 5.055 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -6.375 -8.376 7.538 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -5.835 -7.605 6.028 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -4.698 -7.803 7.382 1.00 0.00 H new ATOM 103 N ALA A 8 -2.058 -6.834 7.583 1.00 0.00 N ATOM 104 CA ALA A 8 -1.228 -8.000 7.115 1.00 0.00 C ATOM 105 C ALA A 8 -1.995 -8.914 6.092 1.00 0.00 C ATOM 106 O ALA A 8 -3.207 -9.174 6.185 1.00 0.00 O ATOM 107 CB ALA A 8 -0.687 -8.740 8.277 1.00 0.00 C ATOM 0 H ALA A 8 -2.143 -6.819 8.599 1.00 0.00 H new ATOM 0 HA ALA A 8 -0.378 -7.612 6.553 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -0.089 -9.581 7.926 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -0.063 -8.075 8.874 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -1.510 -9.110 8.888 1.00 0.00 H new ATOM 113 N CYS A 9 -1.249 -9.328 5.022 1.00 0.00 N ATOM 114 CA CYS A 9 -1.881 -9.834 3.767 1.00 0.00 C ATOM 115 C CYS A 9 -0.904 -10.875 3.165 1.00 0.00 C ATOM 116 O CYS A 9 0.344 -10.846 3.139 1.00 0.00 O ATOM 117 CB CYS A 9 -2.273 -8.676 2.884 1.00 0.00 C ATOM 118 SG CYS A 9 -3.862 -7.899 3.376 1.00 0.00 S ATOM 0 H CYS A 9 -0.229 -9.321 5.005 1.00 0.00 H new ATOM 0 HA CYS A 9 -2.827 -10.352 3.926 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -1.484 -7.924 2.910 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -2.349 -9.022 1.853 1.00 0.00 H new ATOM 0 HG CYS A 9 -4.102 -8.157 4.627 1.00 0.00 H new ATOM 124 N HIS A 10 -1.541 -12.043 2.827 1.00 0.00 N ATOM 125 CA HIS A 10 -0.867 -13.365 2.620 1.00 0.00 C ATOM 126 C HIS A 10 -1.464 -14.327 1.522 1.00 0.00 C ATOM 127 O HIS A 10 -0.770 -15.272 1.157 1.00 0.00 O ATOM 128 CB HIS A 10 -0.714 -14.081 3.971 1.00 0.00 C ATOM 129 CG HIS A 10 0.180 -13.482 4.959 1.00 0.00 C ATOM 130 ND1 HIS A 10 1.537 -13.371 4.825 1.00 0.00 N ATOM 131 CD2 HIS A 10 -0.240 -12.831 6.135 1.00 0.00 C ATOM 132 CE1 HIS A 10 1.843 -12.571 5.940 1.00 0.00 C ATOM 133 NE2 HIS A 10 0.795 -12.135 6.721 1.00 0.00 N ATOM 0 H HIS A 10 -2.551 -12.090 2.690 1.00 0.00 H new ATOM 0 HA HIS A 10 0.102 -13.108 2.193 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -1.703 -14.164 4.421 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -0.367 -15.095 3.776 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -1.245 -12.872 6.528 1.00 0.00 H new ATOM 0 HE1 HIS A 10 2.863 -12.308 6.176 1.00 0.00 H new ATOM 0 HE2 HIS A 10 0.787 -11.484 7.507 1.00 0.00 H new ATOM 141 N THR A 11 -2.676 -14.113 1.036 1.00 0.00 N ATOM 142 CA THR A 11 -3.468 -15.085 0.305 1.00 0.00 C ATOM 143 C THR A 11 -4.398 -14.298 -0.724 1.00 0.00 C ATOM 144 O THR A 11 -4.418 -13.074 -0.712 1.00 0.00 O ATOM 145 CB THR A 11 -4.298 -15.970 1.287 1.00 0.00 C ATOM 146 OG1 THR A 11 -5.326 -15.229 1.903 1.00 0.00 O ATOM 147 CG2 THR A 11 -3.540 -16.745 2.348 1.00 0.00 C ATOM 0 H THR A 11 -3.154 -13.218 1.146 1.00 0.00 H new ATOM 0 HA THR A 11 -2.820 -15.764 -0.250 1.00 0.00 H new ATOM 0 HB THR A 11 -4.695 -16.735 0.620 1.00 0.00 H new ATOM 0 HG1 THR A 11 -5.829 -15.810 2.511 1.00 0.00 H new ATOM 0 HG21 THR A 11 -4.244 -17.314 2.956 1.00 0.00 H new ATOM 0 HG22 THR A 11 -2.840 -17.429 1.868 1.00 0.00 H new ATOM 0 HG23 THR A 11 -2.991 -16.050 2.983 1.00 0.00 H new ATOM 155 N VAL A 12 -5.324 -15.003 -1.342 1.00 0.00 N ATOM 156 CA VAL A 12 -6.525 -14.426 -2.026 1.00 0.00 C ATOM 157 C VAL A 12 -7.580 -13.596 -1.205 1.00 0.00 C ATOM 158 O VAL A 12 -8.465 -12.892 -1.732 1.00 0.00 O ATOM 159 CB VAL A 12 -7.238 -15.470 -2.949 1.00 0.00 C ATOM 160 CG1 VAL A 12 -8.024 -16.544 -2.145 1.00 0.00 C ATOM 161 CG2 VAL A 12 -8.134 -14.822 -4.036 1.00 0.00 C ATOM 0 H VAL A 12 -5.286 -16.021 -1.399 1.00 0.00 H new ATOM 0 HA VAL A 12 -6.040 -13.641 -2.607 1.00 0.00 H new ATOM 0 HB VAL A 12 -6.428 -15.978 -3.472 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -8.498 -17.241 -2.836 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -7.337 -17.087 -1.496 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -8.788 -16.058 -1.539 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -8.597 -15.603 -4.639 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -8.910 -14.224 -3.559 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -7.525 -14.183 -4.675 1.00 0.00 H new ATOM 171 N ASP A 13 -7.479 -13.656 0.157 1.00 0.00 N ATOM 172 CA ASP A 13 -8.152 -12.667 1.099 1.00 0.00 C ATOM 173 C ASP A 13 -7.844 -11.185 0.809 1.00 0.00 C ATOM 174 O ASP A 13 -8.806 -10.425 0.659 1.00 0.00 O ATOM 175 CB ASP A 13 -7.840 -13.003 2.546 1.00 0.00 C ATOM 176 CG ASP A 13 -8.616 -14.173 3.161 1.00 0.00 C ATOM 177 OD1 ASP A 13 -8.570 -15.287 2.645 1.00 0.00 O ATOM 178 OD2 ASP A 13 -9.246 -13.895 4.363 1.00 0.00 O ATOM 0 H ASP A 13 -6.941 -14.374 0.641 1.00 0.00 H new ATOM 0 HA ASP A 13 -9.220 -12.781 0.914 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -6.775 -13.222 2.623 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -8.027 -12.115 3.150 1.00 0.00 H new ATOM 184 N THR A 14 -6.570 -10.778 0.749 1.00 0.00 N ATOM 185 CA THR A 14 -6.162 -9.470 0.167 1.00 0.00 C ATOM 186 C THR A 14 -6.776 -9.127 -1.246 1.00 0.00 C ATOM 187 O THR A 14 -7.217 -8.010 -1.471 1.00 0.00 O ATOM 188 CB THR A 14 -4.641 -9.137 0.119 1.00 0.00 C ATOM 189 OG1 THR A 14 -4.424 -7.727 0.166 1.00 0.00 O ATOM 190 CG2 THR A 14 -3.822 -9.756 -1.026 1.00 0.00 C ATOM 0 H THR A 14 -5.789 -11.334 1.097 1.00 0.00 H new ATOM 0 HA THR A 14 -6.609 -8.832 0.930 1.00 0.00 H new ATOM 0 HB THR A 14 -4.257 -9.626 1.015 1.00 0.00 H new ATOM 0 HG1 THR A 14 -4.360 -7.437 1.100 1.00 0.00 H new ATOM 0 HG21 THR A 14 -2.781 -9.443 -0.940 1.00 0.00 H new ATOM 0 HG22 THR A 14 -3.880 -10.843 -0.969 1.00 0.00 H new ATOM 0 HG23 THR A 14 -4.223 -9.421 -1.983 1.00 0.00 H new ATOM 198 N TRP A 15 -6.875 -10.067 -2.225 1.00 0.00 N ATOM 199 CA TRP A 15 -7.554 -9.844 -3.517 1.00 0.00 C ATOM 200 C TRP A 15 -9.013 -9.302 -3.334 1.00 0.00 C ATOM 201 O TRP A 15 -9.376 -8.251 -3.866 1.00 0.00 O ATOM 202 CB TRP A 15 -7.430 -11.126 -4.405 1.00 0.00 C ATOM 203 CG TRP A 15 -6.437 -11.109 -5.520 1.00 0.00 C ATOM 204 CD1 TRP A 15 -5.209 -11.867 -5.526 1.00 0.00 C ATOM 205 CD2 TRP A 15 -6.475 -10.452 -6.768 1.00 0.00 C ATOM 206 NE1 TRP A 15 -4.551 -11.818 -6.772 1.00 0.00 N ATOM 207 CE2 TRP A 15 -5.372 -10.920 -7.496 1.00 0.00 C ATOM 208 CE3 TRP A 15 -7.409 -9.504 -7.276 1.00 0.00 C ATOM 209 CZ2 TRP A 15 -5.157 -10.319 -8.765 1.00 0.00 C ATOM 210 CZ3 TRP A 15 -7.147 -8.979 -8.564 1.00 0.00 C ATOM 211 CH2 TRP A 15 -6.037 -9.371 -9.295 1.00 0.00 C ATOM 0 H TRP A 15 -6.481 -11.003 -2.132 1.00 0.00 H new ATOM 0 HA TRP A 15 -7.052 -9.044 -4.061 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -7.185 -11.963 -3.752 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -8.411 -11.332 -4.833 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -4.836 -12.411 -4.671 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -3.705 -12.302 -7.073 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -8.275 -9.201 -6.706 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -4.287 -10.603 -9.338 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -7.828 -8.256 -8.987 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -5.852 -8.946 -10.270 1.00 0.00 H new ATOM 222 N LYS A 16 -9.851 -9.972 -2.475 1.00 0.00 N ATOM 223 CA LYS A 16 -11.078 -9.341 -1.996 1.00 0.00 C ATOM 224 C LYS A 16 -10.991 -7.850 -1.426 1.00 0.00 C ATOM 225 O LYS A 16 -11.671 -6.976 -1.958 1.00 0.00 O ATOM 226 CB LYS A 16 -11.897 -10.304 -1.113 1.00 0.00 C ATOM 227 CG LYS A 16 -12.540 -11.609 -1.691 1.00 0.00 C ATOM 228 CD LYS A 16 -13.309 -12.657 -0.825 1.00 0.00 C ATOM 229 CE LYS A 16 -12.575 -13.109 0.462 1.00 0.00 C ATOM 230 NZ LYS A 16 -13.508 -13.739 1.441 1.00 0.00 N ATOM 0 H LYS A 16 -9.686 -10.916 -2.124 1.00 0.00 H new ATOM 0 HA LYS A 16 -11.633 -9.152 -2.915 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -11.247 -10.609 -0.293 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -12.707 -9.720 -0.677 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -13.233 -11.289 -2.469 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -11.735 -12.153 -2.185 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -14.275 -12.236 -0.545 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -13.510 -13.536 -1.438 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -11.789 -13.818 0.202 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -12.089 -12.249 0.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -12.979 -14.028 2.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -14.244 -13.055 1.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -13.952 -14.574 1.009 1.00 0.00 H new ATOM 243 N GLU A 17 -10.023 -7.620 -0.448 1.00 0.00 N ATOM 244 CA GLU A 17 -9.767 -6.278 0.251 1.00 0.00 C ATOM 245 C GLU A 17 -9.241 -5.136 -0.674 1.00 0.00 C ATOM 246 O GLU A 17 -9.909 -4.162 -0.827 1.00 0.00 O ATOM 247 CB GLU A 17 -8.703 -6.431 1.381 1.00 0.00 C ATOM 248 CG GLU A 17 -9.245 -7.178 2.654 1.00 0.00 C ATOM 249 CD GLU A 17 -8.244 -7.767 3.675 1.00 0.00 C ATOM 250 OE1 GLU A 17 -7.339 -8.538 3.351 1.00 0.00 O ATOM 251 OE2 GLU A 17 -8.409 -7.176 4.914 1.00 0.00 O ATOM 0 H GLU A 17 -9.399 -8.358 -0.122 1.00 0.00 H new ATOM 0 HA GLU A 17 -10.752 -5.999 0.625 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -7.843 -6.974 0.989 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -8.349 -5.442 1.673 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -9.889 -6.482 3.192 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -9.878 -7.995 2.308 1.00 0.00 H new ATOM 259 N HIS A 18 -8.052 -5.293 -1.336 1.00 0.00 N ATOM 260 CA HIS A 18 -7.452 -4.371 -2.282 1.00 0.00 C ATOM 261 C HIS A 18 -8.424 -3.914 -3.456 1.00 0.00 C ATOM 262 O HIS A 18 -8.747 -2.740 -3.629 1.00 0.00 O ATOM 263 CB HIS A 18 -6.089 -5.012 -2.800 1.00 0.00 C ATOM 264 CG HIS A 18 -5.360 -4.308 -3.890 1.00 0.00 C ATOM 265 ND1 HIS A 18 -5.501 -4.604 -5.226 1.00 0.00 N ATOM 266 CD2 HIS A 18 -4.306 -3.374 -3.716 1.00 0.00 C ATOM 267 CE1 HIS A 18 -4.578 -3.757 -5.758 1.00 0.00 C ATOM 268 NE2 HIS A 18 -3.767 -3.031 -4.910 1.00 0.00 N ATOM 0 H HIS A 18 -7.475 -6.123 -1.196 1.00 0.00 H new ATOM 0 HA HIS A 18 -7.241 -3.433 -1.768 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -5.415 -5.099 -1.948 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -6.304 -6.025 -3.141 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -6.121 -5.270 -5.687 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -3.978 -2.989 -2.762 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -4.482 -3.655 -6.829 1.00 0.00 H new ATOM 276 N PHE A 19 -8.876 -4.850 -4.277 1.00 0.00 N ATOM 277 CA PHE A 19 -9.746 -4.650 -5.402 1.00 0.00 C ATOM 278 C PHE A 19 -11.245 -4.078 -5.179 1.00 0.00 C ATOM 279 O PHE A 19 -11.517 -2.959 -5.543 1.00 0.00 O ATOM 280 CB PHE A 19 -9.835 -6.002 -6.240 1.00 0.00 C ATOM 281 CG PHE A 19 -10.009 -5.562 -7.710 1.00 0.00 C ATOM 282 CD1 PHE A 19 -11.242 -5.346 -8.334 1.00 0.00 C ATOM 283 CD2 PHE A 19 -8.868 -5.460 -8.433 1.00 0.00 C ATOM 284 CE1 PHE A 19 -11.277 -4.934 -9.695 1.00 0.00 C ATOM 285 CE2 PHE A 19 -8.913 -5.169 -9.808 1.00 0.00 C ATOM 286 CZ PHE A 19 -10.126 -4.846 -10.448 1.00 0.00 C ATOM 0 H PHE A 19 -8.622 -5.831 -4.158 1.00 0.00 H new ATOM 0 HA PHE A 19 -9.257 -3.823 -5.917 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -8.934 -6.603 -6.114 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -10.675 -6.614 -5.911 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -12.161 -5.491 -7.786 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -7.914 -5.604 -7.948 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -12.225 -4.685 -10.148 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -8.000 -5.194 -10.385 1.00 0.00 H new ATOM 0 HZ PHE A 19 -10.153 -4.542 -11.484 1.00 0.00 H new ATOM 296 N GLU A 20 -12.052 -4.828 -4.361 1.00 0.00 N ATOM 297 CA GLU A 20 -13.381 -4.357 -3.823 1.00 0.00 C ATOM 298 C GLU A 20 -13.318 -2.996 -3.057 1.00 0.00 C ATOM 299 O GLU A 20 -14.187 -2.145 -3.398 1.00 0.00 O ATOM 300 CB GLU A 20 -14.255 -5.382 -3.024 1.00 0.00 C ATOM 301 CG GLU A 20 -14.529 -6.731 -3.717 1.00 0.00 C ATOM 302 CD GLU A 20 -15.291 -6.724 -4.962 1.00 0.00 C ATOM 303 OE1 GLU A 20 -16.404 -6.220 -5.098 1.00 0.00 O ATOM 304 OE2 GLU A 20 -14.633 -7.336 -6.034 1.00 0.00 O ATOM 0 H GLU A 20 -11.805 -5.769 -4.056 1.00 0.00 H new ATOM 0 HA GLU A 20 -13.912 -4.217 -4.765 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -13.765 -5.580 -2.071 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -15.212 -4.913 -2.798 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -13.568 -7.204 -3.918 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -15.056 -7.369 -3.008 1.00 0.00 H new ATOM 312 N LYS A 21 -12.357 -2.736 -2.101 1.00 0.00 N ATOM 313 CA LYS A 21 -12.042 -1.351 -1.554 1.00 0.00 C ATOM 314 C LYS A 21 -11.734 -0.206 -2.653 1.00 0.00 C ATOM 315 O LYS A 21 -12.531 0.761 -2.809 1.00 0.00 O ATOM 316 CB LYS A 21 -10.959 -1.343 -0.408 1.00 0.00 C ATOM 317 CG LYS A 21 -11.333 -2.113 0.882 1.00 0.00 C ATOM 318 CD LYS A 21 -12.368 -1.477 1.858 1.00 0.00 C ATOM 319 CE LYS A 21 -12.310 -2.385 3.082 1.00 0.00 C ATOM 320 NZ LYS A 21 -11.441 -2.009 4.250 1.00 0.00 N ATOM 0 H LYS A 21 -11.781 -3.470 -1.688 1.00 0.00 H new ATOM 0 HA LYS A 21 -12.997 -1.071 -1.109 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -10.035 -1.765 -0.805 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -10.748 -0.307 -0.141 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -11.715 -3.090 0.585 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -10.414 -2.287 1.442 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -12.105 -0.449 2.108 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -13.367 -1.453 1.423 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -13.328 -2.493 3.456 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -11.989 -3.370 2.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -11.522 -2.735 4.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -10.451 -1.941 3.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -11.748 -1.091 4.630 1.00 0.00 H new ATOM 333 N GLY A 22 -10.712 -0.441 -3.432 1.00 0.00 N ATOM 334 CA GLY A 22 -10.199 0.489 -4.478 1.00 0.00 C ATOM 335 C GLY A 22 -11.214 0.934 -5.549 1.00 0.00 C ATOM 336 O GLY A 22 -11.930 1.909 -5.412 1.00 0.00 O ATOM 0 H GLY A 22 -10.176 -1.307 -3.377 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -9.810 1.379 -3.984 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -9.359 0.010 -4.980 1.00 0.00 H new ATOM 340 N LYS A 23 -11.298 0.073 -6.598 1.00 0.00 N ATOM 341 CA LYS A 23 -12.411 0.070 -7.553 1.00 0.00 C ATOM 342 C LYS A 23 -13.592 -0.604 -6.797 1.00 0.00 C ATOM 343 O LYS A 23 -13.792 -1.782 -6.745 1.00 0.00 O ATOM 344 CB LYS A 23 -11.998 -0.578 -8.853 1.00 0.00 C ATOM 345 CG LYS A 23 -13.185 -0.670 -9.805 1.00 0.00 C ATOM 346 CD LYS A 23 -13.059 -1.808 -10.794 1.00 0.00 C ATOM 347 CE LYS A 23 -11.941 -1.538 -11.855 1.00 0.00 C ATOM 348 NZ LYS A 23 -12.314 -0.541 -12.821 1.00 0.00 N ATOM 0 H LYS A 23 -10.590 -0.634 -6.795 1.00 0.00 H new ATOM 0 HA LYS A 23 -12.727 1.063 -7.872 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -11.197 -0.001 -9.316 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -11.602 -1.575 -8.659 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -14.100 -0.798 -9.226 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -13.281 0.269 -10.350 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -12.836 -2.731 -10.259 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -14.013 -1.956 -11.301 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -11.032 -1.219 -11.344 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -11.706 -2.468 -12.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -11.789 -0.700 -13.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -13.335 -0.604 -13.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -12.088 0.404 -12.450 1.00 0.00 H new ATOM 361 N GLY A 24 -14.462 0.255 -6.292 1.00 0.00 N ATOM 362 CA GLY A 24 -15.845 -0.029 -5.876 1.00 0.00 C ATOM 363 C GLY A 24 -16.406 1.026 -4.778 1.00 0.00 C ATOM 364 O GLY A 24 -17.474 1.523 -4.828 1.00 0.00 O ATOM 0 H GLY A 24 -14.215 1.234 -6.148 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -16.493 -0.012 -6.752 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -15.895 -1.036 -5.462 1.00 0.00 H new ATOM 368 N SER A 25 -15.536 1.223 -3.744 1.00 0.00 N ATOM 369 CA SER A 25 -15.699 2.059 -2.585 1.00 0.00 C ATOM 370 C SER A 25 -15.050 3.435 -2.976 1.00 0.00 C ATOM 371 O SER A 25 -13.872 3.500 -3.338 1.00 0.00 O ATOM 372 CB SER A 25 -15.206 1.484 -1.248 1.00 0.00 C ATOM 373 OG SER A 25 -15.791 0.175 -0.968 1.00 0.00 O ATOM 0 H SER A 25 -14.635 0.745 -3.729 1.00 0.00 H new ATOM 0 HA SER A 25 -16.760 2.158 -2.354 1.00 0.00 H new ATOM 0 HB2 SER A 25 -14.120 1.399 -1.268 1.00 0.00 H new ATOM 0 HB3 SER A 25 -15.457 2.173 -0.442 1.00 0.00 H new ATOM 0 HG SER A 25 -15.452 -0.158 -0.111 1.00 0.00 H new ATOM 379 N GLN A 26 -15.825 4.510 -2.899 1.00 0.00 N ATOM 380 CA GLN A 26 -15.367 5.957 -3.001 1.00 0.00 C ATOM 381 C GLN A 26 -14.285 6.359 -1.885 1.00 0.00 C ATOM 382 O GLN A 26 -14.533 6.816 -0.819 1.00 0.00 O ATOM 383 CB GLN A 26 -16.577 6.926 -2.779 1.00 0.00 C ATOM 384 CG GLN A 26 -17.499 7.033 -4.039 1.00 0.00 C ATOM 385 CD GLN A 26 -18.381 5.853 -4.634 1.00 0.00 C ATOM 386 OE1 GLN A 26 -19.090 5.181 -3.926 1.00 0.00 O ATOM 387 NE2 GLN A 26 -18.528 5.725 -5.971 1.00 0.00 N ATOM 0 H GLN A 26 -16.832 4.433 -2.759 1.00 0.00 H new ATOM 0 HA GLN A 26 -14.928 6.047 -3.994 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -17.166 6.578 -1.930 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -16.202 7.917 -2.522 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -18.192 7.848 -3.832 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -16.854 7.362 -4.853 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -17.947 6.276 -6.603 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -19.220 5.077 -6.348 1.00 0.00 H new ATOM 396 N LYS A 27 -13.013 5.901 -2.161 1.00 0.00 N ATOM 397 CA LYS A 27 -11.840 6.146 -1.281 1.00 0.00 C ATOM 398 C LYS A 27 -10.521 5.827 -2.071 1.00 0.00 C ATOM 399 O LYS A 27 -10.573 5.376 -3.260 1.00 0.00 O ATOM 400 CB LYS A 27 -11.879 5.278 0.030 1.00 0.00 C ATOM 401 CG LYS A 27 -11.936 3.704 -0.228 1.00 0.00 C ATOM 402 CD LYS A 27 -11.630 2.919 1.125 1.00 0.00 C ATOM 403 CE LYS A 27 -12.701 2.991 2.270 1.00 0.00 C ATOM 404 NZ LYS A 27 -12.166 2.303 3.459 1.00 0.00 N ATOM 0 H LYS A 27 -12.788 5.358 -2.995 1.00 0.00 H new ATOM 0 HA LYS A 27 -11.870 7.194 -0.983 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -10.997 5.505 0.629 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -12.748 5.570 0.620 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -12.919 3.424 -0.606 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -11.210 3.426 -0.992 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -11.476 1.869 0.876 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -10.687 3.294 1.524 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -12.933 4.030 2.506 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -13.631 2.522 1.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -12.689 1.417 3.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -11.159 2.089 3.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -12.272 2.917 4.292 1.00 0.00 H new ATOM 417 N LEU A 28 -9.396 6.184 -1.440 1.00 0.00 N ATOM 418 CA LEU A 28 -7.975 5.772 -1.742 1.00 0.00 C ATOM 419 C LEU A 28 -7.634 4.510 -0.813 1.00 0.00 C ATOM 420 O LEU A 28 -8.007 4.329 0.345 1.00 0.00 O ATOM 421 CB LEU A 28 -7.038 7.007 -1.527 1.00 0.00 C ATOM 422 CG LEU A 28 -5.560 6.739 -1.997 1.00 0.00 C ATOM 423 CD1 LEU A 28 -5.428 6.462 -3.541 1.00 0.00 C ATOM 424 CD2 LEU A 28 -4.674 7.929 -1.532 1.00 0.00 C ATOM 0 H LEU A 28 -9.432 6.816 -0.640 1.00 0.00 H new ATOM 0 HA LEU A 28 -7.829 5.462 -2.777 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -7.439 7.861 -2.073 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -7.036 7.276 -0.471 1.00 0.00 H new ATOM 0 HG LEU A 28 -5.213 5.816 -1.532 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.382 6.286 -3.791 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -6.017 5.583 -3.805 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.794 7.324 -4.098 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -3.645 7.762 -1.849 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -5.044 8.853 -1.975 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -4.711 8.007 -0.445 1.00 0.00 H new ATOM 436 N ILE A 29 -6.712 3.741 -1.473 1.00 0.00 N ATOM 437 CA ILE A 29 -6.074 2.446 -0.948 1.00 0.00 C ATOM 438 C ILE A 29 -4.541 2.587 -1.425 1.00 0.00 C ATOM 439 O ILE A 29 -4.252 3.136 -2.496 1.00 0.00 O ATOM 440 CB ILE A 29 -6.845 1.122 -1.250 1.00 0.00 C ATOM 441 CG1 ILE A 29 -6.521 0.414 -2.592 1.00 0.00 C ATOM 442 CG2 ILE A 29 -8.331 1.231 -0.957 1.00 0.00 C ATOM 443 CD1 ILE A 29 -6.710 -1.056 -2.604 1.00 0.00 C ATOM 0 H ILE A 29 -6.373 3.991 -2.402 1.00 0.00 H new ATOM 0 HA ILE A 29 -6.129 2.338 0.135 1.00 0.00 H new ATOM 0 HB ILE A 29 -6.428 0.422 -0.526 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -7.147 0.849 -3.372 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -5.486 0.631 -2.856 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -8.817 0.282 -1.185 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -8.478 1.470 0.096 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -8.766 2.019 -1.572 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -6.455 -1.448 -3.589 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -6.064 -1.512 -1.854 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -7.750 -1.291 -2.378 1.00 0.00 H new ATOM 455 N VAL A 30 -3.673 2.068 -0.518 1.00 0.00 N ATOM 456 CA VAL A 30 -2.214 2.189 -0.571 1.00 0.00 C ATOM 457 C VAL A 30 -1.639 0.887 0.007 1.00 0.00 C ATOM 458 O VAL A 30 -2.122 0.289 0.992 1.00 0.00 O ATOM 459 CB VAL A 30 -1.651 3.440 0.202 1.00 0.00 C ATOM 460 CG1 VAL A 30 -0.078 3.641 0.083 1.00 0.00 C ATOM 461 CG2 VAL A 30 -2.344 4.808 -0.117 1.00 0.00 C ATOM 0 H VAL A 30 -3.993 1.538 0.293 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.911 2.345 -1.607 1.00 0.00 H new ATOM 0 HB VAL A 30 -1.903 3.167 1.227 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.219 4.526 0.646 1.00 0.00 H new ATOM 0 HG12 VAL A 30 0.432 2.766 0.486 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.194 3.769 -0.965 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -1.877 5.598 0.471 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -2.235 5.032 -1.178 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -3.403 4.747 0.134 1.00 0.00 H new ATOM 471 N VAL A 31 -0.570 0.368 -0.739 1.00 0.00 N ATOM 472 CA VAL A 31 -0.075 -1.002 -0.599 1.00 0.00 C ATOM 473 C VAL A 31 1.424 -1.167 -0.959 1.00 0.00 C ATOM 474 O VAL A 31 1.886 -1.155 -2.107 1.00 0.00 O ATOM 475 CB VAL A 31 -1.096 -1.929 -1.440 1.00 0.00 C ATOM 476 CG1 VAL A 31 -1.263 -1.486 -2.905 1.00 0.00 C ATOM 477 CG2 VAL A 31 -0.800 -3.423 -1.331 1.00 0.00 C ATOM 0 H VAL A 31 -0.062 0.915 -1.434 1.00 0.00 H new ATOM 0 HA VAL A 31 -0.071 -1.317 0.445 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.060 -1.772 -0.957 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -1.962 -2.153 -3.409 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.648 -0.467 -2.935 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.297 -1.524 -3.409 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.526 -3.982 -1.921 1.00 0.00 H new ATOM 0 HG22 VAL A 31 0.204 -3.623 -1.706 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.866 -3.732 -0.288 1.00 0.00 H new ATOM 487 N ASP A 32 2.149 -1.554 0.082 1.00 0.00 N ATOM 488 CA ASP A 32 3.550 -2.031 0.060 1.00 0.00 C ATOM 489 C ASP A 32 3.514 -3.521 -0.430 1.00 0.00 C ATOM 490 O ASP A 32 2.838 -4.411 0.043 1.00 0.00 O ATOM 491 CB ASP A 32 4.353 -1.805 1.352 1.00 0.00 C ATOM 492 CG ASP A 32 5.834 -1.588 1.217 1.00 0.00 C ATOM 493 OD1 ASP A 32 6.518 -1.222 2.190 1.00 0.00 O ATOM 494 OD2 ASP A 32 6.346 -1.910 -0.002 1.00 0.00 O ATOM 0 H ASP A 32 1.764 -1.548 1.026 1.00 0.00 H new ATOM 0 HA ASP A 32 4.122 -1.416 -0.634 1.00 0.00 H new ATOM 0 HB2 ASP A 32 3.931 -0.940 1.864 1.00 0.00 H new ATOM 0 HB3 ASP A 32 4.197 -2.667 2.001 1.00 0.00 H new ATOM 500 N PHE A 33 4.378 -3.773 -1.442 1.00 0.00 N ATOM 501 CA PHE A 33 4.786 -5.066 -2.038 1.00 0.00 C ATOM 502 C PHE A 33 6.326 -5.069 -1.626 1.00 0.00 C ATOM 503 O PHE A 33 7.157 -4.364 -2.243 1.00 0.00 O ATOM 504 CB PHE A 33 4.472 -5.103 -3.483 1.00 0.00 C ATOM 505 CG PHE A 33 2.961 -5.171 -3.774 1.00 0.00 C ATOM 506 CD1 PHE A 33 2.316 -6.445 -3.734 1.00 0.00 C ATOM 507 CD2 PHE A 33 2.211 -4.058 -4.073 1.00 0.00 C ATOM 508 CE1 PHE A 33 0.884 -6.534 -3.892 1.00 0.00 C ATOM 509 CE2 PHE A 33 0.827 -4.190 -4.338 1.00 0.00 C ATOM 510 CZ PHE A 33 0.217 -5.380 -4.213 1.00 0.00 C ATOM 0 H PHE A 33 4.853 -2.999 -1.907 1.00 0.00 H new ATOM 0 HA PHE A 33 4.276 -5.968 -1.701 1.00 0.00 H new ATOM 0 HB2 PHE A 33 4.888 -4.216 -3.961 1.00 0.00 H new ATOM 0 HB3 PHE A 33 4.961 -5.967 -3.933 1.00 0.00 H new ATOM 0 HD1 PHE A 33 2.900 -7.341 -3.586 1.00 0.00 H new ATOM 0 HD2 PHE A 33 2.677 -3.084 -4.106 1.00 0.00 H new ATOM 0 HE1 PHE A 33 0.360 -7.470 -3.763 1.00 0.00 H new ATOM 0 HE2 PHE A 33 0.256 -3.326 -4.644 1.00 0.00 H new ATOM 0 HZ PHE A 33 -0.850 -5.430 -4.373 1.00 0.00 H new ATOM 520 N THR A 34 6.614 -5.902 -0.570 1.00 0.00 N ATOM 521 CA THR A 34 7.925 -5.913 0.145 1.00 0.00 C ATOM 522 C THR A 34 8.020 -7.414 0.574 1.00 0.00 C ATOM 523 O THR A 34 7.038 -8.156 0.863 1.00 0.00 O ATOM 524 CB THR A 34 7.957 -4.939 1.365 1.00 0.00 C ATOM 525 OG1 THR A 34 9.241 -4.907 1.939 1.00 0.00 O ATOM 526 CG2 THR A 34 6.828 -5.134 2.486 1.00 0.00 C ATOM 0 H THR A 34 5.945 -6.576 -0.199 1.00 0.00 H new ATOM 0 HA THR A 34 8.762 -5.568 -0.461 1.00 0.00 H new ATOM 0 HB THR A 34 7.706 -3.972 0.929 1.00 0.00 H new ATOM 0 HG1 THR A 34 9.189 -5.196 2.874 1.00 0.00 H new ATOM 0 HG21 THR A 34 6.966 -4.394 3.274 1.00 0.00 H new ATOM 0 HG22 THR A 34 5.843 -5.006 2.037 1.00 0.00 H new ATOM 0 HG23 THR A 34 6.906 -6.135 2.910 1.00 0.00 H new ATOM 534 N ALA A 35 9.262 -7.849 0.662 1.00 0.00 N ATOM 535 CA ALA A 35 9.744 -9.154 1.189 1.00 0.00 C ATOM 536 C ALA A 35 9.972 -9.087 2.715 1.00 0.00 C ATOM 537 O ALA A 35 10.389 -8.083 3.311 1.00 0.00 O ATOM 538 CB ALA A 35 11.059 -9.358 0.452 1.00 0.00 C ATOM 0 H ALA A 35 10.039 -7.268 0.347 1.00 0.00 H new ATOM 0 HA ALA A 35 9.034 -9.966 1.035 1.00 0.00 H new ATOM 0 HB1 ALA A 35 11.509 -10.300 0.765 1.00 0.00 H new ATOM 0 HB2 ALA A 35 10.874 -9.383 -0.622 1.00 0.00 H new ATOM 0 HB3 ALA A 35 11.737 -8.537 0.684 1.00 0.00 H new ATOM 544 N SER A 36 9.847 -10.223 3.381 1.00 0.00 N ATOM 545 CA SER A 36 10.456 -10.441 4.677 1.00 0.00 C ATOM 546 C SER A 36 12.020 -10.241 4.802 1.00 0.00 C ATOM 547 O SER A 36 12.570 -9.701 5.806 1.00 0.00 O ATOM 548 CB SER A 36 10.046 -11.841 5.184 1.00 0.00 C ATOM 549 OG SER A 36 10.506 -12.046 6.501 1.00 0.00 O ATOM 0 H SER A 36 9.317 -11.022 3.034 1.00 0.00 H new ATOM 0 HA SER A 36 10.068 -9.635 5.301 1.00 0.00 H new ATOM 0 HB2 SER A 36 8.961 -11.942 5.152 1.00 0.00 H new ATOM 0 HB3 SER A 36 10.457 -12.607 4.526 1.00 0.00 H new ATOM 0 HG SER A 36 10.236 -12.937 6.807 1.00 0.00 H new ATOM 555 N TRP A 37 12.752 -10.673 3.774 1.00 0.00 N ATOM 556 CA TRP A 37 14.090 -10.134 3.424 1.00 0.00 C ATOM 557 C TRP A 37 14.176 -8.616 3.027 1.00 0.00 C ATOM 558 O TRP A 37 14.365 -8.339 1.882 1.00 0.00 O ATOM 559 CB TRP A 37 14.825 -11.051 2.427 1.00 0.00 C ATOM 560 CG TRP A 37 14.029 -11.437 1.108 1.00 0.00 C ATOM 561 CD1 TRP A 37 13.229 -12.556 1.163 1.00 0.00 C ATOM 562 CD2 TRP A 37 14.160 -11.080 -0.222 1.00 0.00 C ATOM 563 NE1 TRP A 37 12.761 -12.917 -0.092 1.00 0.00 N ATOM 564 CE2 TRP A 37 13.282 -11.945 -0.904 1.00 0.00 C ATOM 565 CE3 TRP A 37 14.606 -9.927 -0.796 1.00 0.00 C ATOM 566 CZ2 TRP A 37 12.817 -11.621 -2.250 1.00 0.00 C ATOM 567 CZ3 TRP A 37 14.268 -9.713 -2.112 1.00 0.00 C ATOM 568 CH2 TRP A 37 13.417 -10.496 -2.842 1.00 0.00 C ATOM 0 H TRP A 37 12.439 -11.415 3.147 1.00 0.00 H new ATOM 0 HA TRP A 37 14.620 -10.145 4.376 1.00 0.00 H new ATOM 0 HB2 TRP A 37 15.755 -10.563 2.135 1.00 0.00 H new ATOM 0 HB3 TRP A 37 15.096 -11.971 2.944 1.00 0.00 H new ATOM 0 HD1 TRP A 37 12.994 -13.088 2.073 1.00 0.00 H new ATOM 0 HE1 TRP A 37 12.174 -13.711 -0.347 1.00 0.00 H new ATOM 0 HE3 TRP A 37 15.198 -9.213 -0.242 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 12.063 -12.206 -2.756 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 14.709 -8.860 -2.607 1.00 0.00 H new ATOM 0 HH2 TRP A 37 13.206 -10.250 -3.872 1.00 0.00 H new ATOM 579 N CYS A 38 14.017 -7.705 4.005 1.00 0.00 N ATOM 580 CA CYS A 38 14.074 -6.167 3.876 1.00 0.00 C ATOM 581 C CYS A 38 14.127 -5.419 5.303 1.00 0.00 C ATOM 582 O CYS A 38 13.091 -5.118 5.884 1.00 0.00 O ATOM 583 CB CYS A 38 12.899 -5.599 3.074 1.00 0.00 C ATOM 584 SG CYS A 38 13.267 -3.851 2.646 1.00 0.00 S ATOM 0 H CYS A 38 13.835 -7.995 4.966 1.00 0.00 H new ATOM 0 HA CYS A 38 15.003 -5.973 3.340 1.00 0.00 H new ATOM 0 HB2 CYS A 38 12.742 -6.185 2.168 1.00 0.00 H new ATOM 0 HB3 CYS A 38 11.980 -5.660 3.656 1.00 0.00 H new ATOM 0 HG CYS A 38 12.279 -3.354 1.962 1.00 0.00 H new ATOM 590 N PRO A 39 15.325 -4.993 5.887 1.00 0.00 N ATOM 591 CA PRO A 39 15.482 -4.022 7.060 1.00 0.00 C ATOM 592 C PRO A 39 14.988 -2.548 6.706 1.00 0.00 C ATOM 593 O PRO A 39 14.191 -2.005 7.484 1.00 0.00 O ATOM 594 CB PRO A 39 16.991 -4.130 7.414 1.00 0.00 C ATOM 595 CG PRO A 39 17.639 -5.165 6.512 1.00 0.00 C ATOM 596 CD PRO A 39 16.593 -5.471 5.380 1.00 0.00 C ATOM 0 HA PRO A 39 14.854 -4.270 7.915 1.00 0.00 H new ATOM 0 HB2 PRO A 39 17.477 -3.163 7.287 1.00 0.00 H new ATOM 0 HB3 PRO A 39 17.113 -4.413 8.460 1.00 0.00 H new ATOM 0 HG2 PRO A 39 18.570 -4.786 6.090 1.00 0.00 H new ATOM 0 HG3 PRO A 39 17.886 -6.069 7.070 1.00 0.00 H new ATOM 0 HD2 PRO A 39 16.860 -4.966 4.452 1.00 0.00 H new ATOM 0 HD3 PRO A 39 16.551 -6.538 5.162 1.00 0.00 H new ATOM 604 N PRO A 40 15.271 -1.876 5.545 1.00 0.00 N ATOM 605 CA PRO A 40 14.561 -0.671 5.131 1.00 0.00 C ATOM 606 C PRO A 40 12.982 -0.575 5.176 1.00 0.00 C ATOM 607 O PRO A 40 12.496 0.297 5.875 1.00 0.00 O ATOM 608 CB PRO A 40 15.126 -0.328 3.723 1.00 0.00 C ATOM 609 CG PRO A 40 16.450 -1.002 3.621 1.00 0.00 C ATOM 610 CD PRO A 40 16.342 -2.188 4.577 1.00 0.00 C ATOM 0 HA PRO A 40 14.758 0.054 5.920 1.00 0.00 H new ATOM 0 HB2 PRO A 40 14.453 -0.676 2.940 1.00 0.00 H new ATOM 0 HB3 PRO A 40 15.229 0.750 3.599 1.00 0.00 H new ATOM 0 HG2 PRO A 40 16.652 -1.330 2.601 1.00 0.00 H new ATOM 0 HG3 PRO A 40 17.261 -0.332 3.907 1.00 0.00 H new ATOM 0 HD2 PRO A 40 16.111 -3.102 4.030 1.00 0.00 H new ATOM 0 HD3 PRO A 40 17.288 -2.354 5.091 1.00 0.00 H new ATOM 618 N CYS A 41 12.276 -1.542 4.633 1.00 0.00 N ATOM 619 CA CYS A 41 10.832 -1.822 4.964 1.00 0.00 C ATOM 620 C CYS A 41 10.403 -2.420 6.345 1.00 0.00 C ATOM 621 O CYS A 41 9.260 -2.265 6.823 1.00 0.00 O ATOM 622 CB CYS A 41 10.011 -2.395 3.811 1.00 0.00 C ATOM 623 SG CYS A 41 10.156 -1.196 2.349 1.00 0.00 S ATOM 0 H CYS A 41 12.661 -2.182 3.938 1.00 0.00 H new ATOM 0 HA CYS A 41 10.566 -0.779 5.132 1.00 0.00 H new ATOM 0 HB2 CYS A 41 10.379 -3.383 3.533 1.00 0.00 H new ATOM 0 HB3 CYS A 41 8.968 -2.514 4.106 1.00 0.00 H new ATOM 0 HG CYS A 41 9.469 -1.652 1.344 1.00 0.00 H new ATOM 629 N LYS A 42 11.341 -3.027 7.105 1.00 0.00 N ATOM 630 CA LYS A 42 11.143 -3.239 8.597 1.00 0.00 C ATOM 631 C LYS A 42 10.840 -1.922 9.422 1.00 0.00 C ATOM 632 O LYS A 42 9.819 -1.953 10.113 1.00 0.00 O ATOM 633 CB LYS A 42 12.358 -4.079 9.220 1.00 0.00 C ATOM 634 CG LYS A 42 12.019 -4.609 10.588 1.00 0.00 C ATOM 635 CD LYS A 42 13.162 -5.545 11.113 1.00 0.00 C ATOM 636 CE LYS A 42 12.933 -6.252 12.405 1.00 0.00 C ATOM 637 NZ LYS A 42 11.676 -6.990 12.526 1.00 0.00 N ATOM 0 H LYS A 42 12.228 -3.378 6.743 1.00 0.00 H new ATOM 0 HA LYS A 42 10.229 -3.826 8.691 1.00 0.00 H new ATOM 0 HB2 LYS A 42 12.605 -4.909 8.558 1.00 0.00 H new ATOM 0 HB3 LYS A 42 13.244 -3.447 9.283 1.00 0.00 H new ATOM 0 HG2 LYS A 42 11.874 -3.780 11.280 1.00 0.00 H new ATOM 0 HG3 LYS A 42 11.079 -5.160 10.548 1.00 0.00 H new ATOM 0 HD2 LYS A 42 13.359 -6.297 10.349 1.00 0.00 H new ATOM 0 HD3 LYS A 42 14.068 -4.947 11.213 1.00 0.00 H new ATOM 0 HE2 LYS A 42 13.756 -6.949 12.564 1.00 0.00 H new ATOM 0 HE3 LYS A 42 12.977 -5.518 13.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 11.626 -7.439 13.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 10.876 -6.335 12.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 11.631 -7.722 11.788 1.00 0.00 H new ATOM 650 N MET A 43 11.685 -0.878 9.321 1.00 0.00 N ATOM 651 CA MET A 43 11.411 0.562 9.741 1.00 0.00 C ATOM 652 C MET A 43 10.243 1.314 9.082 1.00 0.00 C ATOM 653 O MET A 43 9.370 1.899 9.704 1.00 0.00 O ATOM 654 CB MET A 43 12.696 1.432 9.840 1.00 0.00 C ATOM 655 CG MET A 43 13.521 1.515 8.569 1.00 0.00 C ATOM 656 SD MET A 43 15.068 2.440 8.808 1.00 0.00 S ATOM 657 CE MET A 43 15.821 2.388 7.142 1.00 0.00 C ATOM 0 H MET A 43 12.621 -0.990 8.933 1.00 0.00 H new ATOM 0 HA MET A 43 11.024 0.398 10.747 1.00 0.00 H new ATOM 0 HB2 MET A 43 12.410 2.442 10.135 1.00 0.00 H new ATOM 0 HB3 MET A 43 13.325 1.034 10.636 1.00 0.00 H new ATOM 0 HG2 MET A 43 13.753 0.508 8.223 1.00 0.00 H new ATOM 0 HG3 MET A 43 12.932 1.993 7.787 1.00 0.00 H new ATOM 0 HE1 MET A 43 16.546 3.196 7.045 1.00 0.00 H new ATOM 0 HE2 MET A 43 16.323 1.431 6.999 1.00 0.00 H new ATOM 0 HE3 MET A 43 15.043 2.506 6.387 1.00 0.00 H new ATOM 667 N ILE A 44 10.071 1.127 7.783 1.00 0.00 N ATOM 668 CA ILE A 44 8.860 1.451 7.036 1.00 0.00 C ATOM 669 C ILE A 44 7.459 0.910 7.534 1.00 0.00 C ATOM 670 O ILE A 44 6.411 1.534 7.407 1.00 0.00 O ATOM 671 CB ILE A 44 9.115 1.555 5.479 1.00 0.00 C ATOM 672 CG1 ILE A 44 8.882 2.986 5.044 1.00 0.00 C ATOM 673 CG2 ILE A 44 8.240 0.625 4.609 1.00 0.00 C ATOM 674 CD1 ILE A 44 9.969 3.946 5.530 1.00 0.00 C ATOM 0 H ILE A 44 10.801 0.728 7.193 1.00 0.00 H new ATOM 0 HA ILE A 44 8.644 2.469 7.359 1.00 0.00 H new ATOM 0 HB ILE A 44 10.144 1.231 5.322 1.00 0.00 H new ATOM 0 HG12 ILE A 44 8.831 3.025 3.956 1.00 0.00 H new ATOM 0 HG13 ILE A 44 7.915 3.321 5.420 1.00 0.00 H new ATOM 0 HG21 ILE A 44 8.489 0.770 3.558 1.00 0.00 H new ATOM 0 HG22 ILE A 44 8.425 -0.413 4.886 1.00 0.00 H new ATOM 0 HG23 ILE A 44 7.188 0.861 4.769 1.00 0.00 H new ATOM 0 HD11 ILE A 44 9.744 4.955 5.185 1.00 0.00 H new ATOM 0 HD12 ILE A 44 10.004 3.934 6.619 1.00 0.00 H new ATOM 0 HD13 ILE A 44 10.935 3.634 5.132 1.00 0.00 H new ATOM 686 N ALA A 45 7.421 -0.347 8.122 1.00 0.00 N ATOM 687 CA ALA A 45 6.191 -0.877 8.850 1.00 0.00 C ATOM 688 C ALA A 45 5.623 0.206 9.895 1.00 0.00 C ATOM 689 O ALA A 45 4.591 0.859 9.610 1.00 0.00 O ATOM 690 CB ALA A 45 6.396 -2.346 9.395 1.00 0.00 C ATOM 0 H ALA A 45 8.206 -0.998 8.108 1.00 0.00 H new ATOM 0 HA ALA A 45 5.381 -1.004 8.132 1.00 0.00 H new ATOM 0 HB1 ALA A 45 5.490 -2.675 9.905 1.00 0.00 H new ATOM 0 HB2 ALA A 45 6.608 -3.017 8.562 1.00 0.00 H new ATOM 0 HB3 ALA A 45 7.232 -2.361 10.094 1.00 0.00 H new ATOM 696 N PRO A 46 6.259 0.483 11.058 1.00 0.00 N ATOM 697 CA PRO A 46 5.917 1.742 11.801 1.00 0.00 C ATOM 698 C PRO A 46 5.782 3.154 11.182 1.00 0.00 C ATOM 699 O PRO A 46 4.908 3.862 11.686 1.00 0.00 O ATOM 700 CB PRO A 46 6.926 1.701 12.973 1.00 0.00 C ATOM 701 CG PRO A 46 7.277 0.253 13.187 1.00 0.00 C ATOM 702 CD PRO A 46 7.300 -0.311 11.775 1.00 0.00 C ATOM 0 HA PRO A 46 4.845 1.678 11.987 1.00 0.00 H new ATOM 0 HB2 PRO A 46 7.816 2.285 12.739 1.00 0.00 H new ATOM 0 HB3 PRO A 46 6.490 2.132 13.875 1.00 0.00 H new ATOM 0 HG2 PRO A 46 8.242 0.141 13.681 1.00 0.00 H new ATOM 0 HG3 PRO A 46 6.539 -0.252 13.811 1.00 0.00 H new ATOM 0 HD2 PRO A 46 8.281 -0.194 11.313 1.00 0.00 H new ATOM 0 HD3 PRO A 46 7.068 -1.376 11.766 1.00 0.00 H new ATOM 710 N ILE A 47 6.549 3.583 10.121 1.00 0.00 N ATOM 711 CA ILE A 47 6.190 4.772 9.312 1.00 0.00 C ATOM 712 C ILE A 47 4.799 4.876 8.739 1.00 0.00 C ATOM 713 O ILE A 47 3.967 5.780 9.026 1.00 0.00 O ATOM 714 CB ILE A 47 7.361 5.290 8.431 1.00 0.00 C ATOM 715 CG1 ILE A 47 8.734 5.438 9.095 1.00 0.00 C ATOM 716 CG2 ILE A 47 7.197 6.560 7.536 1.00 0.00 C ATOM 717 CD1 ILE A 47 8.649 6.521 10.182 1.00 0.00 C ATOM 0 H ILE A 47 7.407 3.119 9.821 1.00 0.00 H new ATOM 0 HA ILE A 47 6.050 5.535 10.077 1.00 0.00 H new ATOM 0 HB ILE A 47 7.304 4.416 7.783 1.00 0.00 H new ATOM 0 HG12 ILE A 47 9.045 4.489 9.532 1.00 0.00 H new ATOM 0 HG13 ILE A 47 9.485 5.708 8.352 1.00 0.00 H new ATOM 0 HG21 ILE A 47 8.128 6.752 7.002 1.00 0.00 H new ATOM 0 HG22 ILE A 47 6.394 6.397 6.817 1.00 0.00 H new ATOM 0 HG23 ILE A 47 6.955 7.418 8.163 1.00 0.00 H new ATOM 0 HD11 ILE A 47 9.622 6.633 10.660 1.00 0.00 H new ATOM 0 HD12 ILE A 47 8.355 7.468 9.730 1.00 0.00 H new ATOM 0 HD13 ILE A 47 7.909 6.230 10.928 1.00 0.00 H new ATOM 729 N PHE A 48 4.582 3.889 7.853 1.00 0.00 N ATOM 730 CA PHE A 48 3.270 3.536 7.203 1.00 0.00 C ATOM 731 C PHE A 48 2.017 3.450 8.203 1.00 0.00 C ATOM 732 O PHE A 48 0.946 4.025 7.936 1.00 0.00 O ATOM 733 CB PHE A 48 3.711 2.297 6.362 1.00 0.00 C ATOM 734 CG PHE A 48 2.633 1.654 5.448 1.00 0.00 C ATOM 735 CD1 PHE A 48 1.847 0.584 5.945 1.00 0.00 C ATOM 736 CD2 PHE A 48 2.604 1.928 4.061 1.00 0.00 C ATOM 737 CE1 PHE A 48 1.102 -0.211 5.051 1.00 0.00 C ATOM 738 CE2 PHE A 48 1.798 1.184 3.224 1.00 0.00 C ATOM 739 CZ PHE A 48 1.098 0.076 3.683 1.00 0.00 C ATOM 0 H PHE A 48 5.338 3.278 7.544 1.00 0.00 H new ATOM 0 HA PHE A 48 2.810 4.292 6.567 1.00 0.00 H new ATOM 0 HB2 PHE A 48 4.554 2.593 5.737 1.00 0.00 H new ATOM 0 HB3 PHE A 48 4.075 1.532 7.048 1.00 0.00 H new ATOM 0 HD1 PHE A 48 1.819 0.379 7.005 1.00 0.00 H new ATOM 0 HD2 PHE A 48 3.214 2.722 3.656 1.00 0.00 H new ATOM 0 HE1 PHE A 48 0.530 -1.047 5.425 1.00 0.00 H new ATOM 0 HE2 PHE A 48 1.709 1.470 2.186 1.00 0.00 H new ATOM 0 HZ PHE A 48 0.558 -0.555 2.993 1.00 0.00 H new ATOM 749 N ALA A 49 2.218 2.830 9.383 1.00 0.00 N ATOM 750 CA ALA A 49 1.381 2.989 10.578 1.00 0.00 C ATOM 751 C ALA A 49 1.066 4.398 11.294 1.00 0.00 C ATOM 752 O ALA A 49 -0.072 4.618 11.560 1.00 0.00 O ATOM 753 CB ALA A 49 1.829 1.832 11.496 1.00 0.00 C ATOM 0 H ALA A 49 2.994 2.185 9.530 1.00 0.00 H new ATOM 0 HA ALA A 49 0.349 2.964 10.229 1.00 0.00 H new ATOM 0 HB1 ALA A 49 1.258 1.862 12.424 1.00 0.00 H new ATOM 0 HB2 ALA A 49 1.655 0.881 10.994 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.891 1.935 11.719 1.00 0.00 H new ATOM 759 N GLU A 50 2.094 5.239 11.662 1.00 0.00 N ATOM 760 CA GLU A 50 1.935 6.618 12.150 1.00 0.00 C ATOM 761 C GLU A 50 1.222 7.605 11.159 1.00 0.00 C ATOM 762 O GLU A 50 0.136 8.132 11.502 1.00 0.00 O ATOM 763 CB GLU A 50 3.350 7.095 12.582 1.00 0.00 C ATOM 764 CG GLU A 50 3.396 8.506 13.255 1.00 0.00 C ATOM 765 CD GLU A 50 3.488 9.688 12.304 1.00 0.00 C ATOM 766 OE1 GLU A 50 4.160 9.718 11.244 1.00 0.00 O ATOM 767 OE2 GLU A 50 2.691 10.707 12.642 1.00 0.00 O ATOM 0 H GLU A 50 3.071 4.949 11.618 1.00 0.00 H new ATOM 0 HA GLU A 50 1.242 6.620 12.991 1.00 0.00 H new ATOM 0 HB2 GLU A 50 3.767 6.365 13.276 1.00 0.00 H new ATOM 0 HB3 GLU A 50 3.997 7.107 11.705 1.00 0.00 H new ATOM 0 HG2 GLU A 50 2.502 8.625 13.868 1.00 0.00 H new ATOM 0 HG3 GLU A 50 4.252 8.539 13.929 1.00 0.00 H new ATOM 775 N LEU A 51 1.713 7.653 9.909 1.00 0.00 N ATOM 776 CA LEU A 51 0.948 8.206 8.732 1.00 0.00 C ATOM 777 C LEU A 51 -0.512 7.634 8.486 1.00 0.00 C ATOM 778 O LEU A 51 -1.388 8.439 8.116 1.00 0.00 O ATOM 779 CB LEU A 51 2.028 8.001 7.579 1.00 0.00 C ATOM 780 CG LEU A 51 1.765 8.381 6.096 1.00 0.00 C ATOM 781 CD1 LEU A 51 1.245 7.143 5.374 1.00 0.00 C ATOM 782 CD2 LEU A 51 0.927 9.693 5.914 1.00 0.00 C ATOM 0 H LEU A 51 2.645 7.316 9.666 1.00 0.00 H new ATOM 0 HA LEU A 51 0.627 9.241 8.851 1.00 0.00 H new ATOM 0 HB2 LEU A 51 2.917 8.552 7.886 1.00 0.00 H new ATOM 0 HB3 LEU A 51 2.290 6.943 7.585 1.00 0.00 H new ATOM 0 HG LEU A 51 2.698 8.671 5.614 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.053 7.385 4.329 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.989 6.349 5.431 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.321 6.809 5.845 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.786 9.890 4.851 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.045 9.573 6.393 1.00 0.00 H new ATOM 0 HD23 LEU A 51 1.456 10.529 6.371 1.00 0.00 H new ATOM 794 N ALA A 52 -0.796 6.384 8.629 1.00 0.00 N ATOM 795 CA ALA A 52 -2.148 5.864 8.696 1.00 0.00 C ATOM 796 C ALA A 52 -3.092 6.409 9.835 1.00 0.00 C ATOM 797 O ALA A 52 -4.304 6.543 9.691 1.00 0.00 O ATOM 798 CB ALA A 52 -2.172 4.287 8.760 1.00 0.00 C ATOM 0 H ALA A 52 -0.081 5.661 8.706 1.00 0.00 H new ATOM 0 HA ALA A 52 -2.562 6.247 7.764 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -3.204 3.941 8.809 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -1.694 3.879 7.869 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.634 3.951 9.646 1.00 0.00 H new ATOM 804 N LYS A 53 -2.461 6.644 11.002 1.00 0.00 N ATOM 805 CA LYS A 53 -3.052 7.428 12.204 1.00 0.00 C ATOM 806 C LYS A 53 -3.337 8.963 12.010 1.00 0.00 C ATOM 807 O LYS A 53 -4.270 9.530 12.511 1.00 0.00 O ATOM 808 CB LYS A 53 -2.186 7.219 13.486 1.00 0.00 C ATOM 809 CG LYS A 53 -2.376 5.708 13.920 1.00 0.00 C ATOM 810 CD LYS A 53 -1.618 5.283 15.213 1.00 0.00 C ATOM 811 CE LYS A 53 -0.075 5.348 15.121 1.00 0.00 C ATOM 812 NZ LYS A 53 0.667 4.980 16.338 1.00 0.00 N ATOM 0 H LYS A 53 -1.514 6.309 11.181 1.00 0.00 H new ATOM 0 HA LYS A 53 -4.043 6.986 12.305 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -1.137 7.435 13.284 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -2.503 7.893 14.282 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -3.440 5.520 14.065 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -2.048 5.068 13.100 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -1.945 5.922 16.034 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -1.909 4.264 15.467 1.00 0.00 H new ATOM 0 HE2 LYS A 53 0.247 4.692 14.312 1.00 0.00 H new ATOM 0 HE3 LYS A 53 0.209 6.363 14.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 1.688 5.060 16.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 0.400 5.619 17.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 0.438 4.000 16.602 1.00 0.00 H new ATOM 825 N LYS A 54 -2.429 9.515 11.224 1.00 0.00 N ATOM 826 CA LYS A 54 -2.497 10.911 10.707 1.00 0.00 C ATOM 827 C LYS A 54 -3.612 11.211 9.638 1.00 0.00 C ATOM 828 O LYS A 54 -4.081 12.339 9.565 1.00 0.00 O ATOM 829 CB LYS A 54 -1.072 11.258 10.280 1.00 0.00 C ATOM 830 CG LYS A 54 -0.793 12.771 10.333 1.00 0.00 C ATOM 831 CD LYS A 54 0.271 13.355 9.454 1.00 0.00 C ATOM 832 CE LYS A 54 1.644 12.737 9.725 1.00 0.00 C ATOM 833 NZ LYS A 54 2.523 13.138 8.605 1.00 0.00 N ATOM 0 H LYS A 54 -1.599 9.013 10.909 1.00 0.00 H new ATOM 0 HA LYS A 54 -2.845 11.579 11.495 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -0.365 10.739 10.927 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -0.901 10.896 9.266 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -1.726 13.284 10.101 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -0.539 13.021 11.363 1.00 0.00 H new ATOM 0 HD2 LYS A 54 0.003 13.199 8.409 1.00 0.00 H new ATOM 0 HD3 LYS A 54 0.321 14.432 9.613 1.00 0.00 H new ATOM 0 HE2 LYS A 54 2.045 13.088 10.676 1.00 0.00 H new ATOM 0 HE3 LYS A 54 1.573 11.651 9.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 3.472 12.738 8.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 2.129 12.783 7.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 2.587 14.175 8.568 1.00 0.00 H new ATOM 846 N PHE A 55 -4.051 10.256 8.818 1.00 0.00 N ATOM 847 CA PHE A 55 -4.759 10.327 7.524 1.00 0.00 C ATOM 848 C PHE A 55 -5.969 9.243 7.438 1.00 0.00 C ATOM 849 O PHE A 55 -5.831 7.999 7.293 1.00 0.00 O ATOM 850 CB PHE A 55 -3.753 10.195 6.336 1.00 0.00 C ATOM 851 CG PHE A 55 -3.363 11.478 5.661 1.00 0.00 C ATOM 852 CD1 PHE A 55 -4.052 11.942 4.499 1.00 0.00 C ATOM 853 CD2 PHE A 55 -2.188 12.067 5.985 1.00 0.00 C ATOM 854 CE1 PHE A 55 -3.650 13.177 3.918 1.00 0.00 C ATOM 855 CE2 PHE A 55 -1.829 13.341 5.499 1.00 0.00 C ATOM 856 CZ PHE A 55 -2.556 13.881 4.465 1.00 0.00 C ATOM 0 H PHE A 55 -3.901 9.280 9.075 1.00 0.00 H new ATOM 0 HA PHE A 55 -5.226 11.309 7.447 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -2.848 9.711 6.704 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -4.188 9.532 5.589 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -4.860 11.368 4.071 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -1.504 11.544 6.637 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -4.179 13.573 3.064 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -1.000 13.882 5.930 1.00 0.00 H new ATOM 0 HZ PHE A 55 -2.289 14.849 4.069 1.00 0.00 H new ATOM 866 N PRO A 56 -7.274 9.746 7.618 1.00 0.00 N ATOM 867 CA PRO A 56 -8.610 9.060 7.514 1.00 0.00 C ATOM 868 C PRO A 56 -9.353 8.392 6.292 1.00 0.00 C ATOM 869 O PRO A 56 -10.033 7.365 6.295 1.00 0.00 O ATOM 870 CB PRO A 56 -9.517 10.019 8.287 1.00 0.00 C ATOM 871 CG PRO A 56 -9.037 11.368 7.742 1.00 0.00 C ATOM 872 CD PRO A 56 -7.553 11.154 7.646 1.00 0.00 C ATOM 0 HA PRO A 56 -8.340 8.049 7.820 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -10.573 9.843 8.084 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -9.382 9.937 9.365 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -9.480 11.598 6.773 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -9.288 12.191 8.411 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -7.163 11.631 6.747 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -7.052 11.618 8.496 1.00 0.00 H new ATOM 880 N ASN A 57 -9.203 9.069 5.108 1.00 0.00 N ATOM 881 CA ASN A 57 -9.739 8.787 3.719 1.00 0.00 C ATOM 882 C ASN A 57 -9.201 7.465 3.024 1.00 0.00 C ATOM 883 O ASN A 57 -9.578 7.161 1.925 1.00 0.00 O ATOM 884 CB ASN A 57 -9.722 9.991 2.803 1.00 0.00 C ATOM 885 CG ASN A 57 -8.230 10.387 2.336 1.00 0.00 C ATOM 886 OD1 ASN A 57 -7.747 9.878 1.347 1.00 0.00 O ATOM 887 ND2 ASN A 57 -7.471 11.011 3.120 1.00 0.00 N ATOM 0 H ASN A 57 -8.643 9.921 5.095 1.00 0.00 H new ATOM 0 HA ASN A 57 -10.789 8.564 3.908 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -10.332 9.784 1.924 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -10.177 10.839 3.314 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -6.474 11.080 2.917 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -7.852 11.448 3.959 1.00 0.00 H new ATOM 894 N VAL A 58 -8.372 6.744 3.777 1.00 0.00 N ATOM 895 CA VAL A 58 -7.273 5.950 3.121 1.00 0.00 C ATOM 896 C VAL A 58 -7.120 4.603 3.987 1.00 0.00 C ATOM 897 O VAL A 58 -6.378 4.635 5.010 1.00 0.00 O ATOM 898 CB VAL A 58 -6.076 6.931 2.908 1.00 0.00 C ATOM 899 CG1 VAL A 58 -5.492 7.644 4.098 1.00 0.00 C ATOM 900 CG2 VAL A 58 -4.953 6.305 2.056 1.00 0.00 C ATOM 0 H VAL A 58 -8.413 6.677 4.794 1.00 0.00 H new ATOM 0 HA VAL A 58 -7.432 5.567 2.113 1.00 0.00 H new ATOM 0 HB VAL A 58 -6.578 7.735 2.370 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -4.672 8.284 3.772 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -6.262 8.254 4.571 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -5.119 6.912 4.814 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -4.143 7.025 1.936 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -4.574 5.412 2.553 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -5.347 6.035 1.076 1.00 0.00 H new ATOM 910 N THR A 59 -7.655 3.464 3.512 1.00 0.00 N ATOM 911 CA THR A 59 -7.031 2.140 3.845 1.00 0.00 C ATOM 912 C THR A 59 -5.587 1.852 3.360 1.00 0.00 C ATOM 913 O THR A 59 -5.055 2.402 2.376 1.00 0.00 O ATOM 914 CB THR A 59 -8.038 1.201 3.068 1.00 0.00 C ATOM 915 OG1 THR A 59 -9.421 1.451 3.262 1.00 0.00 O ATOM 916 CG2 THR A 59 -7.808 -0.267 3.356 1.00 0.00 C ATOM 0 H THR A 59 -8.484 3.415 2.919 1.00 0.00 H new ATOM 0 HA THR A 59 -6.904 2.033 4.922 1.00 0.00 H new ATOM 0 HB THR A 59 -7.803 1.453 2.034 1.00 0.00 H new ATOM 0 HG1 THR A 59 -9.944 0.731 2.853 1.00 0.00 H new ATOM 0 HG21 THR A 59 -8.527 -0.865 2.796 1.00 0.00 H new ATOM 0 HG22 THR A 59 -6.797 -0.542 3.057 1.00 0.00 H new ATOM 0 HG23 THR A 59 -7.934 -0.453 4.423 1.00 0.00 H new ATOM 924 N PHE A 60 -4.950 0.932 4.144 1.00 0.00 N ATOM 925 CA PHE A 60 -3.458 0.699 4.112 1.00 0.00 C ATOM 926 C PHE A 60 -3.215 -0.842 4.375 1.00 0.00 C ATOM 927 O PHE A 60 -3.958 -1.468 5.120 1.00 0.00 O ATOM 928 CB PHE A 60 -2.705 1.512 5.187 1.00 0.00 C ATOM 929 CG PHE A 60 -2.389 3.001 5.034 1.00 0.00 C ATOM 930 CD1 PHE A 60 -1.289 3.377 4.294 1.00 0.00 C ATOM 931 CD2 PHE A 60 -3.291 3.903 5.480 1.00 0.00 C ATOM 932 CE1 PHE A 60 -1.171 4.717 3.922 1.00 0.00 C ATOM 933 CE2 PHE A 60 -3.074 5.286 5.214 1.00 0.00 C ATOM 934 CZ PHE A 60 -2.021 5.707 4.474 1.00 0.00 C ATOM 0 H PHE A 60 -5.441 0.335 4.810 1.00 0.00 H new ATOM 0 HA PHE A 60 -3.078 1.021 3.142 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -3.277 1.410 6.109 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -1.752 1.008 5.345 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -0.539 2.654 4.010 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -4.163 3.581 6.030 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -0.419 5.004 3.202 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -3.765 6.015 5.612 1.00 0.00 H new ATOM 0 HZ PHE A 60 -1.836 6.758 4.311 1.00 0.00 H new ATOM 944 N LEU A 61 -2.351 -1.487 3.538 1.00 0.00 N ATOM 945 CA LEU A 61 -2.281 -2.947 3.490 1.00 0.00 C ATOM 946 C LEU A 61 -0.831 -3.247 3.015 1.00 0.00 C ATOM 947 O LEU A 61 -0.230 -2.572 2.165 1.00 0.00 O ATOM 948 CB LEU A 61 -3.452 -3.622 2.731 1.00 0.00 C ATOM 949 CG LEU A 61 -3.395 -3.900 1.207 1.00 0.00 C ATOM 950 CD1 LEU A 61 -2.816 -5.235 0.738 1.00 0.00 C ATOM 951 CD2 LEU A 61 -4.854 -3.820 0.625 1.00 0.00 C ATOM 0 H LEU A 61 -1.709 -1.012 2.903 1.00 0.00 H new ATOM 0 HA LEU A 61 -2.445 -3.417 4.459 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.631 -4.581 3.218 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -4.335 -3.007 2.905 1.00 0.00 H new ATOM 0 HG LEU A 61 -2.703 -3.140 0.845 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -2.844 -5.281 -0.351 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -1.784 -5.324 1.079 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.406 -6.053 1.151 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -4.829 -4.014 -0.447 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -5.482 -4.565 1.114 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -5.263 -2.826 0.805 1.00 0.00 H new ATOM 963 N LYS A 62 -0.354 -4.395 3.446 1.00 0.00 N ATOM 964 CA LYS A 62 1.051 -4.852 3.319 1.00 0.00 C ATOM 965 C LYS A 62 1.090 -6.377 3.088 1.00 0.00 C ATOM 966 O LYS A 62 0.898 -7.224 4.003 1.00 0.00 O ATOM 967 CB LYS A 62 2.022 -4.275 4.447 1.00 0.00 C ATOM 968 CG LYS A 62 1.459 -4.733 5.889 1.00 0.00 C ATOM 969 CD LYS A 62 2.480 -4.647 6.944 1.00 0.00 C ATOM 970 CE LYS A 62 2.073 -5.237 8.332 1.00 0.00 C ATOM 971 NZ LYS A 62 3.181 -5.294 9.323 1.00 0.00 N ATOM 0 H LYS A 62 -0.945 -5.079 3.918 1.00 0.00 H new ATOM 0 HA LYS A 62 1.488 -4.408 2.424 1.00 0.00 H new ATOM 0 HB2 LYS A 62 3.036 -4.647 4.301 1.00 0.00 H new ATOM 0 HB3 LYS A 62 2.069 -3.188 4.386 1.00 0.00 H new ATOM 0 HG2 LYS A 62 0.608 -4.107 6.159 1.00 0.00 H new ATOM 0 HG3 LYS A 62 1.093 -5.758 5.824 1.00 0.00 H new ATOM 0 HD2 LYS A 62 3.376 -5.163 6.599 1.00 0.00 H new ATOM 0 HD3 LYS A 62 2.748 -3.599 7.080 1.00 0.00 H new ATOM 0 HE2 LYS A 62 1.263 -4.636 8.745 1.00 0.00 H new ATOM 0 HE3 LYS A 62 1.681 -6.243 8.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 2.829 -5.697 10.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 3.948 -5.891 8.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 3.542 -4.334 9.495 1.00 0.00 H new ATOM 984 N VAL A 63 1.553 -6.648 1.877 1.00 0.00 N ATOM 985 CA VAL A 63 1.790 -7.965 1.127 1.00 0.00 C ATOM 986 C VAL A 63 3.226 -8.508 1.397 1.00 0.00 C ATOM 987 O VAL A 63 4.204 -7.845 0.954 1.00 0.00 O ATOM 988 CB VAL A 63 1.361 -7.860 -0.359 1.00 0.00 C ATOM 989 CG1 VAL A 63 1.864 -9.065 -1.165 1.00 0.00 C ATOM 990 CG2 VAL A 63 -0.208 -7.856 -0.548 1.00 0.00 C ATOM 0 H VAL A 63 1.822 -5.868 1.277 1.00 0.00 H new ATOM 0 HA VAL A 63 1.134 -8.739 1.524 1.00 0.00 H new ATOM 0 HB VAL A 63 1.790 -6.920 -0.706 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.549 -8.965 -2.204 1.00 0.00 H new ATOM 0 HG12 VAL A 63 2.952 -9.105 -1.118 1.00 0.00 H new ATOM 0 HG13 VAL A 63 1.449 -9.982 -0.746 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -0.446 -7.781 -1.609 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -0.625 -8.780 -0.147 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -0.636 -7.005 -0.019 1.00 0.00 H new ATOM 1000 N ASP A 64 3.367 -9.667 2.096 1.00 0.00 N ATOM 1001 CA ASP A 64 4.553 -10.593 1.887 1.00 0.00 C ATOM 1002 C ASP A 64 4.548 -11.025 0.430 1.00 0.00 C ATOM 1003 O ASP A 64 3.714 -11.829 0.057 1.00 0.00 O ATOM 1004 CB ASP A 64 4.541 -11.766 2.904 1.00 0.00 C ATOM 1005 CG ASP A 64 5.926 -12.419 3.103 1.00 0.00 C ATOM 1006 OD1 ASP A 64 6.393 -12.713 4.211 1.00 0.00 O ATOM 1007 OD2 ASP A 64 6.583 -12.579 1.919 1.00 0.00 O ATOM 0 H ASP A 64 2.700 -9.991 2.797 1.00 0.00 H new ATOM 0 HA ASP A 64 5.495 -10.081 2.085 1.00 0.00 H new ATOM 0 HB2 ASP A 64 4.178 -11.400 3.865 1.00 0.00 H new ATOM 0 HB3 ASP A 64 3.835 -12.524 2.565 1.00 0.00 H new ATOM 1013 N VAL A 65 5.442 -10.468 -0.372 1.00 0.00 N ATOM 1014 CA VAL A 65 5.672 -10.847 -1.840 1.00 0.00 C ATOM 1015 C VAL A 65 5.988 -12.318 -2.077 1.00 0.00 C ATOM 1016 O VAL A 65 5.559 -12.840 -3.118 1.00 0.00 O ATOM 1017 CB VAL A 65 6.685 -9.851 -2.455 1.00 0.00 C ATOM 1018 CG1 VAL A 65 8.211 -10.133 -2.223 1.00 0.00 C ATOM 1019 CG2 VAL A 65 6.376 -9.588 -3.933 1.00 0.00 C ATOM 0 H VAL A 65 6.062 -9.721 -0.057 1.00 0.00 H new ATOM 0 HA VAL A 65 4.728 -10.747 -2.376 1.00 0.00 H new ATOM 0 HB VAL A 65 6.523 -8.945 -1.872 1.00 0.00 H new ATOM 0 HG11 VAL A 65 8.802 -9.357 -2.709 1.00 0.00 H new ATOM 0 HG12 VAL A 65 8.422 -10.135 -1.154 1.00 0.00 H new ATOM 0 HG13 VAL A 65 8.470 -11.104 -2.645 1.00 0.00 H new ATOM 0 HG21 VAL A 65 7.104 -8.885 -4.337 1.00 0.00 H new ATOM 0 HG22 VAL A 65 6.429 -10.525 -4.488 1.00 0.00 H new ATOM 0 HG23 VAL A 65 5.375 -9.167 -4.026 1.00 0.00 H new ATOM 1029 N ASP A 66 6.873 -13.024 -1.273 1.00 0.00 N ATOM 1030 CA ASP A 66 7.102 -14.523 -1.357 1.00 0.00 C ATOM 1031 C ASP A 66 5.767 -15.360 -1.446 1.00 0.00 C ATOM 1032 O ASP A 66 5.721 -16.296 -2.236 1.00 0.00 O ATOM 1033 CB ASP A 66 8.025 -15.118 -0.211 1.00 0.00 C ATOM 1034 CG ASP A 66 9.439 -14.473 -0.228 1.00 0.00 C ATOM 1035 OD1 ASP A 66 10.236 -14.702 -1.157 1.00 0.00 O ATOM 1036 OD2 ASP A 66 9.672 -13.552 0.800 1.00 0.00 O ATOM 0 H ASP A 66 7.441 -12.573 -0.556 1.00 0.00 H new ATOM 0 HA ASP A 66 7.643 -14.630 -2.297 1.00 0.00 H new ATOM 0 HB2 ASP A 66 7.558 -14.948 0.759 1.00 0.00 H new ATOM 0 HB3 ASP A 66 8.114 -16.197 -0.337 1.00 0.00 H new ATOM 1042 N GLU A 67 4.711 -14.941 -0.712 1.00 0.00 N ATOM 1043 CA GLU A 67 3.303 -15.418 -0.870 1.00 0.00 C ATOM 1044 C GLU A 67 2.675 -15.092 -2.235 1.00 0.00 C ATOM 1045 O GLU A 67 1.887 -15.932 -2.725 1.00 0.00 O ATOM 1046 CB GLU A 67 2.564 -14.914 0.385 1.00 0.00 C ATOM 1047 CG GLU A 67 3.021 -15.283 1.836 1.00 0.00 C ATOM 1048 CD GLU A 67 3.093 -16.747 2.051 1.00 0.00 C ATOM 1049 OE1 GLU A 67 2.058 -17.450 2.108 1.00 0.00 O ATOM 1050 OE2 GLU A 67 4.394 -17.133 2.322 1.00 0.00 O ATOM 0 H GLU A 67 4.809 -14.245 0.027 1.00 0.00 H new ATOM 0 HA GLU A 67 3.235 -16.505 -0.911 1.00 0.00 H new ATOM 0 HB2 GLU A 67 2.558 -13.826 0.327 1.00 0.00 H new ATOM 0 HB3 GLU A 67 1.529 -15.244 0.291 1.00 0.00 H new ATOM 0 HG2 GLU A 67 3.999 -14.842 2.029 1.00 0.00 H new ATOM 0 HG3 GLU A 67 2.327 -14.847 2.554 1.00 0.00 H new ATOM 1058 N LEU A 68 2.786 -13.864 -2.702 1.00 0.00 N ATOM 1059 CA LEU A 68 1.947 -13.166 -3.698 1.00 0.00 C ATOM 1060 C LEU A 68 2.826 -12.299 -4.685 1.00 0.00 C ATOM 1061 O LEU A 68 2.468 -11.151 -4.976 1.00 0.00 O ATOM 1062 CB LEU A 68 0.824 -12.367 -2.999 1.00 0.00 C ATOM 1063 CG LEU A 68 -0.312 -13.118 -2.242 1.00 0.00 C ATOM 1064 CD1 LEU A 68 -1.017 -12.002 -1.515 1.00 0.00 C ATOM 1065 CD2 LEU A 68 -1.266 -13.742 -3.284 1.00 0.00 C ATOM 0 H LEU A 68 3.536 -13.257 -2.370 1.00 0.00 H new ATOM 0 HA LEU A 68 1.451 -13.907 -4.325 1.00 0.00 H new ATOM 0 HB2 LEU A 68 1.300 -11.696 -2.285 1.00 0.00 H new ATOM 0 HB3 LEU A 68 0.351 -11.743 -3.757 1.00 0.00 H new ATOM 0 HG LEU A 68 0.035 -13.914 -1.583 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -1.847 -12.410 -0.939 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -0.317 -11.507 -0.842 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -1.397 -11.280 -2.238 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.068 -14.272 -2.771 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -1.691 -12.954 -3.906 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -0.713 -14.441 -3.912 1.00 0.00 H new ATOM 1077 N LYS A 69 3.800 -12.970 -5.262 1.00 0.00 N ATOM 1078 CA LYS A 69 4.734 -12.522 -6.300 1.00 0.00 C ATOM 1079 C LYS A 69 3.991 -12.430 -7.694 1.00 0.00 C ATOM 1080 O LYS A 69 4.072 -11.362 -8.247 1.00 0.00 O ATOM 1081 CB LYS A 69 5.904 -13.519 -6.384 1.00 0.00 C ATOM 1082 CG LYS A 69 5.636 -15.054 -6.200 1.00 0.00 C ATOM 1083 CD LYS A 69 6.804 -15.856 -6.694 1.00 0.00 C ATOM 1084 CE LYS A 69 6.863 -17.309 -6.161 1.00 0.00 C ATOM 1085 NZ LYS A 69 7.949 -18.051 -6.721 1.00 0.00 N ATOM 0 H LYS A 69 3.984 -13.938 -4.998 1.00 0.00 H new ATOM 0 HA LYS A 69 5.117 -11.533 -6.048 1.00 0.00 H new ATOM 0 HB2 LYS A 69 6.375 -13.386 -7.358 1.00 0.00 H new ATOM 0 HB3 LYS A 69 6.637 -13.225 -5.632 1.00 0.00 H new ATOM 0 HG2 LYS A 69 5.456 -15.274 -5.148 1.00 0.00 H new ATOM 0 HG3 LYS A 69 4.736 -15.339 -6.744 1.00 0.00 H new ATOM 0 HD2 LYS A 69 6.773 -15.884 -7.783 1.00 0.00 H new ATOM 0 HD3 LYS A 69 7.724 -15.343 -6.414 1.00 0.00 H new ATOM 0 HE2 LYS A 69 6.960 -17.291 -5.075 1.00 0.00 H new ATOM 0 HE3 LYS A 69 5.925 -17.815 -6.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 7.946 -19.016 -6.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 7.845 -18.092 -7.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 8.848 -17.585 -6.482 1.00 0.00 H new ATOM 1098 N ALA A 70 3.211 -13.492 -8.158 1.00 0.00 N ATOM 1099 CA ALA A 70 2.473 -13.442 -9.457 1.00 0.00 C ATOM 1100 C ALA A 70 1.620 -12.181 -9.708 1.00 0.00 C ATOM 1101 O ALA A 70 1.959 -11.459 -10.634 1.00 0.00 O ATOM 1102 CB ALA A 70 1.624 -14.661 -9.691 1.00 0.00 C ATOM 0 H ALA A 70 3.092 -14.367 -7.648 1.00 0.00 H new ATOM 0 HA ALA A 70 3.290 -13.407 -10.178 1.00 0.00 H new ATOM 0 HB1 ALA A 70 1.112 -14.569 -10.649 1.00 0.00 H new ATOM 0 HB2 ALA A 70 2.257 -15.549 -9.701 1.00 0.00 H new ATOM 0 HB3 ALA A 70 0.887 -14.750 -8.893 1.00 0.00 H new ATOM 1108 N VAL A 71 0.633 -11.829 -8.813 1.00 0.00 N ATOM 1109 CA VAL A 71 -0.044 -10.512 -8.620 1.00 0.00 C ATOM 1110 C VAL A 71 0.789 -9.198 -8.406 1.00 0.00 C ATOM 1111 O VAL A 71 0.526 -8.123 -8.971 1.00 0.00 O ATOM 1112 CB VAL A 71 -1.280 -10.587 -7.721 1.00 0.00 C ATOM 1113 CG1 VAL A 71 -0.934 -10.953 -6.284 1.00 0.00 C ATOM 1114 CG2 VAL A 71 -2.137 -9.309 -7.610 1.00 0.00 C ATOM 0 H VAL A 71 0.268 -12.522 -8.160 1.00 0.00 H new ATOM 0 HA VAL A 71 -0.350 -10.348 -9.653 1.00 0.00 H new ATOM 0 HB VAL A 71 -1.857 -11.354 -8.237 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -1.846 -10.993 -5.689 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -0.445 -11.927 -6.264 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -0.262 -10.202 -5.869 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -2.981 -9.493 -6.945 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -1.530 -8.497 -7.209 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -2.507 -9.032 -8.597 1.00 0.00 H new ATOM 1124 N ALA A 72 1.768 -9.194 -7.460 1.00 0.00 N ATOM 1125 CA ALA A 72 2.772 -8.098 -7.283 1.00 0.00 C ATOM 1126 C ALA A 72 3.415 -7.682 -8.572 1.00 0.00 C ATOM 1127 O ALA A 72 3.209 -6.558 -8.978 1.00 0.00 O ATOM 1128 CB ALA A 72 3.777 -8.425 -6.182 1.00 0.00 C ATOM 0 H ALA A 72 1.887 -9.956 -6.792 1.00 0.00 H new ATOM 0 HA ALA A 72 2.224 -7.218 -6.946 1.00 0.00 H new ATOM 0 HB1 ALA A 72 4.489 -7.605 -6.084 1.00 0.00 H new ATOM 0 HB2 ALA A 72 3.250 -8.563 -5.238 1.00 0.00 H new ATOM 0 HB3 ALA A 72 4.311 -9.341 -6.437 1.00 0.00 H new ATOM 1134 N GLU A 73 3.901 -8.690 -9.331 1.00 0.00 N ATOM 1135 CA GLU A 73 4.401 -8.522 -10.738 1.00 0.00 C ATOM 1136 C GLU A 73 3.344 -7.849 -11.584 1.00 0.00 C ATOM 1137 O GLU A 73 3.685 -6.757 -12.003 1.00 0.00 O ATOM 1138 CB GLU A 73 4.905 -9.895 -11.213 1.00 0.00 C ATOM 1139 CG GLU A 73 6.218 -10.253 -10.580 1.00 0.00 C ATOM 1140 CD GLU A 73 6.697 -11.626 -10.945 1.00 0.00 C ATOM 1141 OE1 GLU A 73 7.423 -11.888 -11.930 1.00 0.00 O ATOM 1142 OE2 GLU A 73 6.177 -12.586 -10.133 1.00 0.00 O ATOM 0 H GLU A 73 3.963 -9.651 -8.995 1.00 0.00 H new ATOM 0 HA GLU A 73 5.252 -7.846 -10.820 1.00 0.00 H new ATOM 0 HB2 GLU A 73 4.165 -10.658 -10.972 1.00 0.00 H new ATOM 0 HB3 GLU A 73 5.014 -9.888 -12.298 1.00 0.00 H new ATOM 0 HG2 GLU A 73 6.969 -9.522 -10.879 1.00 0.00 H new ATOM 0 HG3 GLU A 73 6.122 -10.185 -9.496 1.00 0.00 H new ATOM 1150 N GLU A 74 2.119 -8.325 -11.656 1.00 0.00 N ATOM 1151 CA GLU A 74 0.962 -7.697 -12.373 1.00 0.00 C ATOM 1152 C GLU A 74 0.685 -6.144 -12.233 1.00 0.00 C ATOM 1153 O GLU A 74 0.578 -5.340 -13.217 1.00 0.00 O ATOM 1154 CB GLU A 74 -0.233 -8.587 -12.730 1.00 0.00 C ATOM 1155 CG GLU A 74 -1.462 -8.449 -11.832 1.00 0.00 C ATOM 1156 CD GLU A 74 -2.533 -9.508 -11.931 1.00 0.00 C ATOM 1157 OE1 GLU A 74 -2.506 -10.613 -11.401 1.00 0.00 O ATOM 1158 OE2 GLU A 74 -3.573 -9.103 -12.654 1.00 0.00 O ATOM 0 H GLU A 74 1.861 -9.202 -11.204 1.00 0.00 H new ATOM 0 HA GLU A 74 1.485 -7.642 -13.327 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -0.530 -8.368 -13.756 1.00 0.00 H new ATOM 0 HB3 GLU A 74 0.094 -9.627 -12.708 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -1.118 -8.417 -10.798 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -1.925 -7.485 -12.044 1.00 0.00 H new ATOM 1166 N TRP A 75 0.462 -5.596 -11.004 1.00 0.00 N ATOM 1167 CA TRP A 75 0.350 -4.141 -10.668 1.00 0.00 C ATOM 1168 C TRP A 75 1.585 -3.279 -11.042 1.00 0.00 C ATOM 1169 O TRP A 75 1.424 -2.202 -11.592 1.00 0.00 O ATOM 1170 CB TRP A 75 0.108 -3.822 -9.205 1.00 0.00 C ATOM 1171 CG TRP A 75 -0.945 -4.553 -8.424 1.00 0.00 C ATOM 1172 CD1 TRP A 75 -0.624 -5.356 -7.357 1.00 0.00 C ATOM 1173 CD2 TRP A 75 -2.277 -4.745 -8.790 1.00 0.00 C ATOM 1174 NE1 TRP A 75 -1.829 -6.018 -6.899 1.00 0.00 N ATOM 1175 CE2 TRP A 75 -2.730 -5.730 -7.919 1.00 0.00 C ATOM 1176 CE3 TRP A 75 -3.110 -4.270 -9.843 1.00 0.00 C ATOM 1177 CZ2 TRP A 75 -3.948 -6.372 -8.162 1.00 0.00 C ATOM 1178 CZ3 TRP A 75 -4.354 -4.812 -10.021 1.00 0.00 C ATOM 1179 CH2 TRP A 75 -4.756 -5.884 -9.223 1.00 0.00 C ATOM 0 H TRP A 75 0.350 -6.184 -10.178 1.00 0.00 H new ATOM 0 HA TRP A 75 -0.518 -3.890 -11.277 1.00 0.00 H new ATOM 0 HB2 TRP A 75 1.054 -3.970 -8.684 1.00 0.00 H new ATOM 0 HB3 TRP A 75 -0.127 -2.759 -9.143 1.00 0.00 H new ATOM 0 HD1 TRP A 75 0.361 -5.474 -6.931 1.00 0.00 H new ATOM 0 HE1 TRP A 75 -1.978 -6.557 -6.046 1.00 0.00 H new ATOM 0 HE3 TRP A 75 -2.761 -3.485 -10.498 1.00 0.00 H new ATOM 0 HZ2 TRP A 75 -4.264 -7.212 -7.562 1.00 0.00 H new ATOM 0 HZ3 TRP A 75 -5.019 -4.413 -10.773 1.00 0.00 H new ATOM 0 HH2 TRP A 75 -5.708 -6.356 -9.418 1.00 0.00 H new ATOM 1190 N ASN A 76 2.804 -3.803 -10.760 1.00 0.00 N ATOM 1191 CA ASN A 76 4.080 -3.604 -11.564 1.00 0.00 C ATOM 1192 C ASN A 76 5.238 -3.611 -10.440 1.00 0.00 C ATOM 1193 O ASN A 76 5.719 -2.628 -9.896 1.00 0.00 O ATOM 1194 CB ASN A 76 4.238 -2.455 -12.552 1.00 0.00 C ATOM 1195 CG ASN A 76 5.580 -2.461 -13.398 1.00 0.00 C ATOM 1196 OD1 ASN A 76 5.687 -3.075 -14.455 1.00 0.00 O ATOM 1197 ND2 ASN A 76 6.566 -1.782 -12.946 1.00 0.00 N ATOM 0 H ASN A 76 2.952 -4.398 -9.945 1.00 0.00 H new ATOM 0 HA ASN A 76 4.103 -4.401 -12.307 1.00 0.00 H new ATOM 0 HB2 ASN A 76 3.394 -2.473 -13.242 1.00 0.00 H new ATOM 0 HB3 ASN A 76 4.180 -1.516 -12.002 1.00 0.00 H new ATOM 0 HD21 ASN A 76 7.444 -1.750 -13.465 1.00 0.00 H new ATOM 0 HD22 ASN A 76 6.474 -1.273 -12.067 1.00 0.00 H new ATOM 1204 N VAL A 77 5.648 -4.793 -10.172 1.00 0.00 N ATOM 1205 CA VAL A 77 6.591 -5.154 -9.132 1.00 0.00 C ATOM 1206 C VAL A 77 7.692 -6.186 -9.697 1.00 0.00 C ATOM 1207 O VAL A 77 7.671 -7.365 -9.266 1.00 0.00 O ATOM 1208 CB VAL A 77 6.010 -5.479 -7.711 1.00 0.00 C ATOM 1209 CG1 VAL A 77 7.006 -5.545 -6.582 1.00 0.00 C ATOM 1210 CG2 VAL A 77 4.818 -4.699 -7.116 1.00 0.00 C ATOM 0 H VAL A 77 5.323 -5.604 -10.698 1.00 0.00 H new ATOM 0 HA VAL A 77 7.112 -4.230 -8.881 1.00 0.00 H new ATOM 0 HB VAL A 77 5.635 -6.447 -8.043 1.00 0.00 H new ATOM 0 HG11 VAL A 77 6.487 -5.776 -5.652 1.00 0.00 H new ATOM 0 HG12 VAL A 77 7.741 -6.323 -6.790 1.00 0.00 H new ATOM 0 HG13 VAL A 77 7.512 -4.584 -6.486 1.00 0.00 H new ATOM 0 HG21 VAL A 77 4.585 -5.091 -6.126 1.00 0.00 H new ATOM 0 HG22 VAL A 77 5.077 -3.643 -7.037 1.00 0.00 H new ATOM 0 HG23 VAL A 77 3.949 -4.811 -7.765 1.00 0.00 H new ATOM 1220 N GLU A 78 8.630 -5.637 -10.523 1.00 0.00 N ATOM 1221 CA GLU A 78 9.998 -6.081 -10.640 1.00 0.00 C ATOM 1222 C GLU A 78 10.997 -5.968 -9.412 1.00 0.00 C ATOM 1223 O GLU A 78 12.000 -6.670 -9.455 1.00 0.00 O ATOM 1224 CB GLU A 78 10.613 -5.581 -11.985 1.00 0.00 C ATOM 1225 CG GLU A 78 10.218 -4.034 -12.421 1.00 0.00 C ATOM 1226 CD GLU A 78 10.466 -2.969 -11.287 1.00 0.00 C ATOM 1227 OE1 GLU A 78 9.600 -2.626 -10.510 1.00 0.00 O ATOM 1228 OE2 GLU A 78 11.724 -2.482 -11.289 1.00 0.00 O ATOM 0 H GLU A 78 8.419 -4.848 -11.134 1.00 0.00 H new ATOM 0 HA GLU A 78 9.881 -7.165 -10.630 1.00 0.00 H new ATOM 0 HB2 GLU A 78 11.698 -5.654 -11.917 1.00 0.00 H new ATOM 0 HB3 GLU A 78 10.297 -6.255 -12.781 1.00 0.00 H new ATOM 0 HG2 GLU A 78 10.798 -3.755 -13.301 1.00 0.00 H new ATOM 0 HG3 GLU A 78 9.167 -4.005 -12.710 1.00 0.00 H new ATOM 1236 N ALA A 79 10.755 -5.146 -8.411 1.00 0.00 N ATOM 1237 CA ALA A 79 11.792 -4.665 -7.443 1.00 0.00 C ATOM 1238 C ALA A 79 11.158 -4.388 -6.082 1.00 0.00 C ATOM 1239 O ALA A 79 10.125 -3.772 -5.927 1.00 0.00 O ATOM 1240 CB ALA A 79 12.621 -3.428 -8.002 1.00 0.00 C ATOM 0 H ALA A 79 9.825 -4.772 -8.221 1.00 0.00 H new ATOM 0 HA ALA A 79 12.524 -5.462 -7.310 1.00 0.00 H new ATOM 0 HB1 ALA A 79 13.358 -3.120 -7.261 1.00 0.00 H new ATOM 0 HB2 ALA A 79 13.130 -3.717 -8.922 1.00 0.00 H new ATOM 0 HB3 ALA A 79 11.944 -2.599 -8.207 1.00 0.00 H new ATOM 1246 N MET A 80 11.960 -4.761 -5.130 1.00 0.00 N ATOM 1247 CA MET A 80 11.696 -4.454 -3.687 1.00 0.00 C ATOM 1248 C MET A 80 12.245 -3.005 -3.439 1.00 0.00 C ATOM 1249 O MET A 80 13.467 -2.803 -3.698 1.00 0.00 O ATOM 1250 CB MET A 80 12.442 -5.586 -2.807 1.00 0.00 C ATOM 1251 CG MET A 80 11.676 -6.929 -2.516 1.00 0.00 C ATOM 1252 SD MET A 80 10.654 -7.624 -3.800 1.00 0.00 S ATOM 1253 CE MET A 80 9.066 -6.864 -3.494 1.00 0.00 C ATOM 0 H MET A 80 12.820 -5.285 -5.292 1.00 0.00 H new ATOM 0 HA MET A 80 10.642 -4.473 -3.409 1.00 0.00 H new ATOM 0 HB2 MET A 80 13.375 -5.838 -3.311 1.00 0.00 H new ATOM 0 HB3 MET A 80 12.708 -5.140 -1.848 1.00 0.00 H new ATOM 0 HG2 MET A 80 12.417 -7.679 -2.240 1.00 0.00 H new ATOM 0 HG3 MET A 80 11.045 -6.767 -1.642 1.00 0.00 H new ATOM 0 HE1 MET A 80 8.424 -7.000 -4.364 1.00 0.00 H new ATOM 0 HE2 MET A 80 8.602 -7.329 -2.624 1.00 0.00 H new ATOM 0 HE3 MET A 80 9.202 -5.799 -3.307 1.00 0.00 H new ATOM 1263 N PRO A 81 11.457 -1.929 -3.015 1.00 0.00 N ATOM 1264 CA PRO A 81 10.034 -2.108 -2.856 1.00 0.00 C ATOM 1265 C PRO A 81 9.076 -0.881 -2.904 1.00 0.00 C ATOM 1266 O PRO A 81 9.437 0.264 -2.732 1.00 0.00 O ATOM 1267 CB PRO A 81 10.143 -2.493 -1.357 1.00 0.00 C ATOM 1268 CG PRO A 81 11.254 -1.488 -0.776 1.00 0.00 C ATOM 1269 CD PRO A 81 12.032 -1.058 -1.950 1.00 0.00 C ATOM 0 HA PRO A 81 9.615 -2.739 -3.640 1.00 0.00 H new ATOM 0 HB2 PRO A 81 9.189 -2.373 -0.844 1.00 0.00 H new ATOM 0 HB3 PRO A 81 10.443 -3.534 -1.233 1.00 0.00 H new ATOM 0 HG2 PRO A 81 10.793 -0.637 -0.275 1.00 0.00 H new ATOM 0 HG3 PRO A 81 11.889 -1.984 -0.042 1.00 0.00 H new ATOM 0 HD2 PRO A 81 11.897 0.001 -2.168 1.00 0.00 H new ATOM 0 HD3 PRO A 81 13.101 -1.222 -1.817 1.00 0.00 H new ATOM 1277 N THR A 82 7.935 -1.387 -3.397 1.00 0.00 N ATOM 1278 CA THR A 82 6.985 -0.728 -4.346 1.00 0.00 C ATOM 1279 C THR A 82 5.676 -0.625 -3.615 1.00 0.00 C ATOM 1280 O THR A 82 5.104 -1.626 -3.239 1.00 0.00 O ATOM 1281 CB THR A 82 6.921 -1.529 -5.673 1.00 0.00 C ATOM 1282 OG1 THR A 82 8.253 -1.762 -6.251 1.00 0.00 O ATOM 1283 CG2 THR A 82 6.181 -0.808 -6.690 1.00 0.00 C ATOM 0 H THR A 82 7.620 -2.322 -3.137 1.00 0.00 H new ATOM 0 HA THR A 82 7.297 0.273 -4.645 1.00 0.00 H new ATOM 0 HB THR A 82 6.440 -2.471 -5.410 1.00 0.00 H new ATOM 0 HG1 THR A 82 8.625 -2.595 -5.892 1.00 0.00 H new ATOM 0 HG21 THR A 82 6.155 -1.397 -7.607 1.00 0.00 H new ATOM 0 HG22 THR A 82 5.163 -0.632 -6.343 1.00 0.00 H new ATOM 0 HG23 THR A 82 6.668 0.147 -6.886 1.00 0.00 H new ATOM 1291 N PHE A 83 5.354 0.651 -3.345 1.00 0.00 N ATOM 1292 CA PHE A 83 4.112 1.172 -2.864 1.00 0.00 C ATOM 1293 C PHE A 83 3.316 1.577 -4.093 1.00 0.00 C ATOM 1294 O PHE A 83 3.678 2.458 -4.980 1.00 0.00 O ATOM 1295 CB PHE A 83 4.285 2.542 -2.056 1.00 0.00 C ATOM 1296 CG PHE A 83 5.244 2.569 -0.794 1.00 0.00 C ATOM 1297 CD1 PHE A 83 6.640 2.884 -1.001 1.00 0.00 C ATOM 1298 CD2 PHE A 83 4.800 2.134 0.415 1.00 0.00 C ATOM 1299 CE1 PHE A 83 7.505 2.832 0.087 1.00 0.00 C ATOM 1300 CE2 PHE A 83 5.659 2.099 1.468 1.00 0.00 C ATOM 1301 CZ PHE A 83 7.027 2.423 1.314 1.00 0.00 C ATOM 0 H PHE A 83 6.038 1.396 -3.479 1.00 0.00 H new ATOM 0 HA PHE A 83 3.660 0.414 -2.224 1.00 0.00 H new ATOM 0 HB2 PHE A 83 4.642 3.296 -2.758 1.00 0.00 H new ATOM 0 HB3 PHE A 83 3.295 2.857 -1.725 1.00 0.00 H new ATOM 0 HD1 PHE A 83 7.004 3.154 -1.981 1.00 0.00 H new ATOM 0 HD2 PHE A 83 3.774 1.819 0.538 1.00 0.00 H new ATOM 0 HE1 PHE A 83 8.542 3.110 -0.028 1.00 0.00 H new ATOM 0 HE2 PHE A 83 5.289 1.818 2.443 1.00 0.00 H new ATOM 0 HZ PHE A 83 7.697 2.350 2.158 1.00 0.00 H new ATOM 1311 N ILE A 84 2.160 0.972 -4.248 1.00 0.00 N ATOM 1312 CA ILE A 84 1.143 1.116 -5.291 1.00 0.00 C ATOM 1313 C ILE A 84 -0.156 1.885 -4.668 1.00 0.00 C ATOM 1314 O ILE A 84 -0.519 1.737 -3.469 1.00 0.00 O ATOM 1315 CB ILE A 84 0.731 -0.310 -5.911 1.00 0.00 C ATOM 1316 CG1 ILE A 84 1.506 -0.585 -7.327 1.00 0.00 C ATOM 1317 CG2 ILE A 84 -0.799 -0.545 -6.375 1.00 0.00 C ATOM 1318 CD1 ILE A 84 2.577 -1.636 -7.109 1.00 0.00 C ATOM 0 H ILE A 84 1.864 0.277 -3.563 1.00 0.00 H new ATOM 0 HA ILE A 84 1.554 1.709 -6.108 1.00 0.00 H new ATOM 0 HB ILE A 84 0.972 -0.947 -5.060 1.00 0.00 H new ATOM 0 HG12 ILE A 84 0.798 -0.921 -8.084 1.00 0.00 H new ATOM 0 HG13 ILE A 84 1.954 0.338 -7.696 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -0.909 -1.555 -6.769 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -1.463 -0.415 -5.520 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -1.059 0.177 -7.149 1.00 0.00 H new ATOM 0 HD11 ILE A 84 3.098 -1.825 -8.048 1.00 0.00 H new ATOM 0 HD12 ILE A 84 3.289 -1.281 -6.364 1.00 0.00 H new ATOM 0 HD13 ILE A 84 2.115 -2.559 -6.758 1.00 0.00 H new ATOM 1330 N PHE A 85 -0.715 2.669 -5.542 1.00 0.00 N ATOM 1331 CA PHE A 85 -1.648 3.775 -5.247 1.00 0.00 C ATOM 1332 C PHE A 85 -2.815 3.432 -6.204 1.00 0.00 C ATOM 1333 O PHE A 85 -2.691 3.624 -7.423 1.00 0.00 O ATOM 1334 CB PHE A 85 -1.156 5.300 -5.455 1.00 0.00 C ATOM 1335 CG PHE A 85 -0.177 5.781 -4.364 1.00 0.00 C ATOM 1336 CD1 PHE A 85 1.108 5.299 -4.220 1.00 0.00 C ATOM 1337 CD2 PHE A 85 -0.613 6.748 -3.458 1.00 0.00 C ATOM 1338 CE1 PHE A 85 1.910 5.642 -3.181 1.00 0.00 C ATOM 1339 CE2 PHE A 85 0.223 7.174 -2.411 1.00 0.00 C ATOM 1340 CZ PHE A 85 1.485 6.535 -2.221 1.00 0.00 C ATOM 0 H PHE A 85 -0.538 2.568 -6.542 1.00 0.00 H new ATOM 0 HA PHE A 85 -1.854 3.805 -4.177 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -0.675 5.389 -6.429 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -2.026 5.956 -5.467 1.00 0.00 H new ATOM 0 HD1 PHE A 85 1.492 4.619 -4.967 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -1.601 7.173 -3.562 1.00 0.00 H new ATOM 0 HE1 PHE A 85 2.896 5.209 -3.105 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -0.086 7.976 -1.757 1.00 0.00 H new ATOM 0 HZ PHE A 85 2.089 6.745 -1.351 1.00 0.00 H new ATOM 1350 N LEU A 86 -3.961 3.038 -5.612 1.00 0.00 N ATOM 1351 CA LEU A 86 -5.181 2.443 -6.218 1.00 0.00 C ATOM 1352 C LEU A 86 -6.353 3.126 -5.436 1.00 0.00 C ATOM 1353 O LEU A 86 -6.666 3.096 -4.258 1.00 0.00 O ATOM 1354 CB LEU A 86 -4.998 0.849 -6.006 1.00 0.00 C ATOM 1355 CG LEU A 86 -5.779 -0.142 -6.865 1.00 0.00 C ATOM 1356 CD1 LEU A 86 -7.246 0.096 -7.022 1.00 0.00 C ATOM 1357 CD2 LEU A 86 -5.011 -0.309 -8.214 1.00 0.00 C ATOM 0 H LEU A 86 -4.071 3.135 -4.603 1.00 0.00 H new ATOM 0 HA LEU A 86 -5.371 2.595 -7.281 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -3.939 0.626 -6.140 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -5.240 0.633 -4.965 1.00 0.00 H new ATOM 0 HG LEU A 86 -5.808 -1.085 -6.319 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -7.675 -0.681 -7.655 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -7.725 0.072 -6.043 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -7.409 1.070 -7.482 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -5.545 -1.013 -8.852 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -4.943 0.656 -8.716 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -4.008 -0.687 -8.017 1.00 0.00 H new ATOM 1369 N LYS A 87 -7.271 3.700 -6.258 1.00 0.00 N ATOM 1370 CA LYS A 87 -8.501 4.410 -5.959 1.00 0.00 C ATOM 1371 C LYS A 87 -9.695 3.802 -6.776 1.00 0.00 C ATOM 1372 O LYS A 87 -9.560 2.822 -7.592 1.00 0.00 O ATOM 1373 CB LYS A 87 -8.168 5.965 -6.218 1.00 0.00 C ATOM 1374 CG LYS A 87 -9.183 7.075 -5.806 1.00 0.00 C ATOM 1375 CD LYS A 87 -8.691 8.544 -5.919 1.00 0.00 C ATOM 1376 CE LYS A 87 -9.811 9.608 -5.607 1.00 0.00 C ATOM 1377 NZ LYS A 87 -9.476 10.974 -6.089 1.00 0.00 N ATOM 0 H LYS A 87 -7.129 3.659 -7.267 1.00 0.00 H new ATOM 0 HA LYS A 87 -8.842 4.307 -4.929 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -7.230 6.182 -5.707 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -7.983 6.080 -7.286 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -10.075 6.966 -6.422 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -9.484 6.895 -4.774 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -7.858 8.693 -5.233 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -8.309 8.715 -6.926 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -10.745 9.287 -6.067 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -9.981 9.642 -4.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -10.252 11.625 -5.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -8.600 11.299 -5.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -9.341 10.955 -7.120 1.00 0.00 H new ATOM 1390 N ASP A 88 -10.844 4.341 -6.499 1.00 0.00 N ATOM 1391 CA ASP A 88 -12.006 4.255 -7.513 1.00 0.00 C ATOM 1392 C ASP A 88 -11.847 4.885 -8.927 1.00 0.00 C ATOM 1393 O ASP A 88 -12.611 5.628 -9.479 1.00 0.00 O ATOM 1394 CB ASP A 88 -13.274 4.832 -6.718 1.00 0.00 C ATOM 1395 CG ASP A 88 -13.281 6.342 -6.377 1.00 0.00 C ATOM 1396 OD1 ASP A 88 -13.649 7.214 -7.124 1.00 0.00 O ATOM 1397 OD2 ASP A 88 -12.749 6.617 -5.142 1.00 0.00 O ATOM 0 H ASP A 88 -11.059 4.838 -5.635 1.00 0.00 H new ATOM 0 HA ASP A 88 -12.087 3.213 -7.822 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -14.166 4.617 -7.307 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -13.366 4.277 -5.785 1.00 0.00 H new ATOM 1403 N GLY A 89 -10.645 4.671 -9.454 1.00 0.00 N ATOM 1404 CA GLY A 89 -10.210 5.109 -10.813 1.00 0.00 C ATOM 1405 C GLY A 89 -8.977 4.338 -11.285 1.00 0.00 C ATOM 1406 O GLY A 89 -8.055 4.921 -11.790 1.00 0.00 O ATOM 0 H GLY A 89 -9.912 4.175 -8.947 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -11.025 4.962 -11.522 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -9.989 6.176 -10.799 1.00 0.00 H new ATOM 1410 N LYS A 90 -9.021 2.982 -11.066 1.00 0.00 N ATOM 1411 CA LYS A 90 -7.867 2.010 -11.299 1.00 0.00 C ATOM 1412 C LYS A 90 -6.505 2.475 -10.604 1.00 0.00 C ATOM 1413 O LYS A 90 -6.540 3.337 -9.744 1.00 0.00 O ATOM 1414 CB LYS A 90 -7.794 1.568 -12.814 1.00 0.00 C ATOM 1415 CG LYS A 90 -9.039 0.675 -13.166 1.00 0.00 C ATOM 1416 CD LYS A 90 -9.110 0.093 -14.586 1.00 0.00 C ATOM 1417 CE LYS A 90 -9.522 0.966 -15.771 1.00 0.00 C ATOM 1418 NZ LYS A 90 -9.420 0.428 -17.092 1.00 0.00 N ATOM 0 H LYS A 90 -9.861 2.518 -10.720 1.00 0.00 H new ATOM 0 HA LYS A 90 -8.071 1.081 -10.766 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -7.771 2.447 -13.458 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -6.873 1.014 -12.997 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -9.070 -0.155 -12.460 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -9.938 1.269 -13.000 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -8.125 -0.313 -14.815 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -9.802 -0.749 -14.553 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -10.559 1.265 -15.616 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -8.920 1.874 -15.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -9.735 1.139 -17.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -8.431 0.171 -17.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -10.019 -0.419 -17.169 1.00 0.00 H new ATOM 1431 N LEU A 91 -5.379 1.997 -11.100 1.00 0.00 N ATOM 1432 CA LEU A 91 -4.039 2.440 -10.742 1.00 0.00 C ATOM 1433 C LEU A 91 -3.606 3.920 -11.146 1.00 0.00 C ATOM 1434 O LEU A 91 -3.154 4.144 -12.263 1.00 0.00 O ATOM 1435 CB LEU A 91 -3.129 1.356 -11.438 1.00 0.00 C ATOM 1436 CG LEU A 91 -1.581 1.398 -11.268 1.00 0.00 C ATOM 1437 CD1 LEU A 91 -1.126 1.323 -9.795 1.00 0.00 C ATOM 1438 CD2 LEU A 91 -0.949 0.219 -12.073 1.00 0.00 C ATOM 0 H LEU A 91 -5.371 1.253 -11.798 1.00 0.00 H new ATOM 0 HA LEU A 91 -3.956 2.513 -9.658 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -3.465 0.380 -11.087 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -3.337 1.399 -12.507 1.00 0.00 H new ATOM 0 HG LEU A 91 -1.240 2.360 -11.650 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -0.038 1.357 -9.748 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -1.539 2.167 -9.243 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -1.479 0.392 -9.352 1.00 0.00 H new ATOM 0 HD21 LEU A 91 0.135 0.241 -11.960 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -1.335 -0.728 -11.695 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -1.206 0.320 -13.128 1.00 0.00 H new ATOM 1450 N VAL A 92 -3.817 4.852 -10.198 1.00 0.00 N ATOM 1451 CA VAL A 92 -3.350 6.271 -10.199 1.00 0.00 C ATOM 1452 C VAL A 92 -1.873 6.653 -10.071 1.00 0.00 C ATOM 1453 O VAL A 92 -1.475 7.702 -10.550 1.00 0.00 O ATOM 1454 CB VAL A 92 -4.304 7.048 -9.114 1.00 0.00 C ATOM 1455 CG1 VAL A 92 -5.655 7.417 -9.669 1.00 0.00 C ATOM 1456 CG2 VAL A 92 -4.358 6.405 -7.671 1.00 0.00 C ATOM 0 H VAL A 92 -4.349 4.632 -9.356 1.00 0.00 H new ATOM 0 HA VAL A 92 -3.448 6.587 -11.238 1.00 0.00 H new ATOM 0 HB VAL A 92 -3.786 7.991 -8.940 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -6.237 7.928 -8.901 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -5.528 8.077 -10.527 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -6.179 6.514 -9.981 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -5.016 6.996 -7.034 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -4.739 5.386 -7.741 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -3.356 6.389 -7.242 1.00 0.00 H new ATOM 1466 N ASP A 93 -1.032 5.868 -9.380 1.00 0.00 N ATOM 1467 CA ASP A 93 0.409 6.150 -9.133 1.00 0.00 C ATOM 1468 C ASP A 93 1.179 4.936 -8.566 1.00 0.00 C ATOM 1469 O ASP A 93 0.575 3.955 -8.118 1.00 0.00 O ATOM 1470 CB ASP A 93 0.469 7.367 -8.166 1.00 0.00 C ATOM 1471 CG ASP A 93 1.869 7.922 -7.924 1.00 0.00 C ATOM 1472 OD1 ASP A 93 2.542 7.708 -6.910 1.00 0.00 O ATOM 1473 OD2 ASP A 93 2.301 8.633 -8.993 1.00 0.00 O ATOM 0 H ASP A 93 -1.336 4.989 -8.960 1.00 0.00 H new ATOM 0 HA ASP A 93 0.904 6.371 -10.078 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -0.158 8.163 -8.567 1.00 0.00 H new ATOM 0 HB3 ASP A 93 0.039 7.074 -7.208 1.00 0.00 H new ATOM 1479 N LYS A 94 2.476 4.998 -8.623 1.00 0.00 N ATOM 1480 CA LYS A 94 3.414 3.913 -8.277 1.00 0.00 C ATOM 1481 C LYS A 94 4.853 4.527 -7.903 1.00 0.00 C ATOM 1482 O LYS A 94 5.239 5.524 -8.557 1.00 0.00 O ATOM 1483 CB LYS A 94 3.469 2.650 -9.239 1.00 0.00 C ATOM 1484 CG LYS A 94 3.643 2.921 -10.718 1.00 0.00 C ATOM 1485 CD LYS A 94 3.125 1.713 -11.544 1.00 0.00 C ATOM 1486 CE LYS A 94 3.378 1.836 -13.116 1.00 0.00 C ATOM 1487 NZ LYS A 94 2.611 3.043 -13.672 1.00 0.00 N ATOM 0 H LYS A 94 2.958 5.844 -8.926 1.00 0.00 H new ATOM 0 HA LYS A 94 2.986 3.443 -7.391 1.00 0.00 H new ATOM 0 HB2 LYS A 94 4.289 2.011 -8.913 1.00 0.00 H new ATOM 0 HB3 LYS A 94 2.549 2.081 -9.105 1.00 0.00 H new ATOM 0 HG2 LYS A 94 3.099 3.823 -10.997 1.00 0.00 H new ATOM 0 HG3 LYS A 94 4.694 3.101 -10.942 1.00 0.00 H new ATOM 0 HD2 LYS A 94 3.607 0.805 -11.180 1.00 0.00 H new ATOM 0 HD3 LYS A 94 2.055 1.599 -11.368 1.00 0.00 H new ATOM 0 HE2 LYS A 94 4.444 1.948 -13.315 1.00 0.00 H new ATOM 0 HE3 LYS A 94 3.054 0.925 -13.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 2.779 3.119 -14.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 1.594 2.919 -13.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 2.940 3.910 -13.202 1.00 0.00 H new ATOM 1500 N THR A 95 5.515 4.036 -6.913 1.00 0.00 N ATOM 1501 CA THR A 95 6.826 4.520 -6.411 1.00 0.00 C ATOM 1502 C THR A 95 7.481 3.417 -5.522 1.00 0.00 C ATOM 1503 O THR A 95 6.871 2.611 -4.876 1.00 0.00 O ATOM 1504 CB THR A 95 6.614 5.787 -5.527 1.00 0.00 C ATOM 1505 OG1 THR A 95 5.861 6.858 -6.186 1.00 0.00 O ATOM 1506 CG2 THR A 95 7.945 6.418 -5.209 1.00 0.00 C ATOM 0 H THR A 95 5.166 3.240 -6.379 1.00 0.00 H new ATOM 0 HA THR A 95 7.465 4.755 -7.262 1.00 0.00 H new ATOM 0 HB THR A 95 6.068 5.423 -4.657 1.00 0.00 H new ATOM 0 HG1 THR A 95 5.681 6.607 -7.116 1.00 0.00 H new ATOM 0 HG21 THR A 95 7.790 7.303 -4.591 1.00 0.00 H new ATOM 0 HG22 THR A 95 8.567 5.703 -4.670 1.00 0.00 H new ATOM 0 HG23 THR A 95 8.442 6.705 -6.136 1.00 0.00 H new ATOM 1514 N VAL A 96 8.779 3.428 -5.564 1.00 0.00 N ATOM 1515 CA VAL A 96 9.662 2.283 -5.116 1.00 0.00 C ATOM 1516 C VAL A 96 10.886 2.829 -4.455 1.00 0.00 C ATOM 1517 O VAL A 96 11.853 3.345 -5.010 1.00 0.00 O ATOM 1518 CB VAL A 96 9.937 1.212 -6.339 1.00 0.00 C ATOM 1519 CG1 VAL A 96 10.373 1.918 -7.686 1.00 0.00 C ATOM 1520 CG2 VAL A 96 10.934 -0.036 -6.240 1.00 0.00 C ATOM 0 H VAL A 96 9.308 4.228 -5.910 1.00 0.00 H new ATOM 0 HA VAL A 96 9.152 1.684 -4.361 1.00 0.00 H new ATOM 0 HB VAL A 96 8.938 0.781 -6.274 1.00 0.00 H new ATOM 0 HG11 VAL A 96 10.540 1.163 -8.455 1.00 0.00 H new ATOM 0 HG12 VAL A 96 9.586 2.599 -8.011 1.00 0.00 H new ATOM 0 HG13 VAL A 96 11.293 2.479 -7.522 1.00 0.00 H new ATOM 0 HG21 VAL A 96 10.930 -0.580 -7.184 1.00 0.00 H new ATOM 0 HG22 VAL A 96 11.943 0.320 -6.030 1.00 0.00 H new ATOM 0 HG23 VAL A 96 10.609 -0.699 -5.438 1.00 0.00 H new ATOM 1530 N GLY A 97 10.855 2.833 -3.091 1.00 0.00 N ATOM 1531 CA GLY A 97 11.922 3.382 -2.213 1.00 0.00 C ATOM 1532 C GLY A 97 11.832 2.984 -0.731 1.00 0.00 C ATOM 1533 O GLY A 97 11.290 1.876 -0.417 1.00 0.00 O ATOM 0 H GLY A 97 10.071 2.447 -2.565 1.00 0.00 H new ATOM 0 HA2 GLY A 97 12.888 3.058 -2.600 1.00 0.00 H new ATOM 0 HA3 GLY A 97 11.900 4.470 -2.281 1.00 0.00 H new ATOM 1537 N ALA A 98 12.270 3.783 0.276 1.00 0.00 N ATOM 1538 CA ALA A 98 12.182 3.523 1.720 1.00 0.00 C ATOM 1539 C ALA A 98 12.741 4.753 2.492 1.00 0.00 C ATOM 1540 O ALA A 98 13.955 4.861 2.484 1.00 0.00 O ATOM 1541 CB ALA A 98 12.867 2.285 2.237 1.00 0.00 C ATOM 0 H ALA A 98 12.720 4.677 0.080 1.00 0.00 H new ATOM 0 HA ALA A 98 11.121 3.346 1.894 1.00 0.00 H new ATOM 0 HB1 ALA A 98 12.724 2.214 3.315 1.00 0.00 H new ATOM 0 HB2 ALA A 98 12.440 1.405 1.756 1.00 0.00 H new ATOM 0 HB3 ALA A 98 13.933 2.339 2.015 1.00 0.00 H new ATOM 1547 N ASP A 99 11.891 5.664 3.090 1.00 0.00 N ATOM 1548 CA ASP A 99 12.390 6.912 3.703 1.00 0.00 C ATOM 1549 C ASP A 99 11.252 7.538 4.603 1.00 0.00 C ATOM 1550 O ASP A 99 10.154 7.771 4.078 1.00 0.00 O ATOM 1551 CB ASP A 99 12.936 7.961 2.639 1.00 0.00 C ATOM 1552 CG ASP A 99 13.678 9.230 3.220 1.00 0.00 C ATOM 1553 OD1 ASP A 99 14.514 9.205 4.087 1.00 0.00 O ATOM 1554 OD2 ASP A 99 13.207 10.337 2.707 1.00 0.00 O ATOM 0 H ASP A 99 10.880 5.543 3.150 1.00 0.00 H new ATOM 0 HA ASP A 99 13.250 6.658 4.322 1.00 0.00 H new ATOM 0 HB2 ASP A 99 13.621 7.442 1.968 1.00 0.00 H new ATOM 0 HB3 ASP A 99 12.096 8.303 2.035 1.00 0.00 H new ATOM 1560 N LYS A 100 11.531 7.955 5.862 1.00 0.00 N ATOM 1561 CA LYS A 100 10.526 8.580 6.758 1.00 0.00 C ATOM 1562 C LYS A 100 9.622 9.717 6.205 1.00 0.00 C ATOM 1563 O LYS A 100 8.398 9.603 6.333 1.00 0.00 O ATOM 1564 CB LYS A 100 11.124 8.751 8.185 1.00 0.00 C ATOM 1565 CG LYS A 100 12.284 9.842 8.193 1.00 0.00 C ATOM 1566 CD LYS A 100 13.206 9.878 9.463 1.00 0.00 C ATOM 1567 CE LYS A 100 14.365 10.874 9.298 1.00 0.00 C ATOM 1568 NZ LYS A 100 14.875 11.202 10.616 1.00 0.00 N ATOM 0 H LYS A 100 12.455 7.868 6.284 1.00 0.00 H new ATOM 0 HA LYS A 100 9.708 7.863 6.831 1.00 0.00 H new ATOM 0 HB2 LYS A 100 10.337 9.047 8.879 1.00 0.00 H new ATOM 0 HB3 LYS A 100 11.516 7.796 8.535 1.00 0.00 H new ATOM 0 HG2 LYS A 100 12.914 9.676 7.319 1.00 0.00 H new ATOM 0 HG3 LYS A 100 11.828 10.825 8.075 1.00 0.00 H new ATOM 0 HD2 LYS A 100 12.613 10.152 10.335 1.00 0.00 H new ATOM 0 HD3 LYS A 100 13.607 8.882 9.650 1.00 0.00 H new ATOM 0 HE2 LYS A 100 15.154 10.440 8.683 1.00 0.00 H new ATOM 0 HE3 LYS A 100 14.022 11.775 8.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 15.662 11.876 10.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 14.117 11.629 11.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 15.213 10.336 11.083 1.00 0.00 H new ATOM 1581 N ASP A 101 10.239 10.862 5.881 1.00 0.00 N ATOM 1582 CA ASP A 101 9.655 11.996 5.105 1.00 0.00 C ATOM 1583 C ASP A 101 9.092 11.655 3.656 1.00 0.00 C ATOM 1584 O ASP A 101 8.069 12.209 3.279 1.00 0.00 O ATOM 1585 CB ASP A 101 10.506 13.308 5.249 1.00 0.00 C ATOM 1586 CG ASP A 101 11.886 13.383 4.652 1.00 0.00 C ATOM 1587 OD1 ASP A 101 12.805 12.667 5.024 1.00 0.00 O ATOM 1588 OD2 ASP A 101 11.940 14.242 3.648 1.00 0.00 O ATOM 0 H ASP A 101 11.203 11.044 6.159 1.00 0.00 H new ATOM 0 HA ASP A 101 8.708 12.222 5.594 1.00 0.00 H new ATOM 0 HB2 ASP A 101 9.922 14.121 4.818 1.00 0.00 H new ATOM 0 HB3 ASP A 101 10.603 13.516 6.315 1.00 0.00 H new ATOM 1594 N GLY A 102 9.854 10.822 2.855 1.00 0.00 N ATOM 1595 CA GLY A 102 9.315 10.360 1.501 1.00 0.00 C ATOM 1596 C GLY A 102 7.788 9.981 1.404 1.00 0.00 C ATOM 1597 O GLY A 102 6.919 10.724 0.927 1.00 0.00 O ATOM 0 H GLY A 102 10.782 10.473 3.095 1.00 0.00 H new ATOM 0 HA2 GLY A 102 9.510 11.151 0.776 1.00 0.00 H new ATOM 0 HA3 GLY A 102 9.895 9.492 1.189 1.00 0.00 H new ATOM 1601 N LEU A 103 7.500 8.736 1.836 1.00 0.00 N ATOM 1602 CA LEU A 103 6.067 8.283 1.960 1.00 0.00 C ATOM 1603 C LEU A 103 4.896 9.207 2.450 1.00 0.00 C ATOM 1604 O LEU A 103 3.942 9.412 1.689 1.00 0.00 O ATOM 1605 CB LEU A 103 6.255 6.924 2.687 1.00 0.00 C ATOM 1606 CG LEU A 103 4.907 6.257 3.132 1.00 0.00 C ATOM 1607 CD1 LEU A 103 4.037 5.919 1.932 1.00 0.00 C ATOM 1608 CD2 LEU A 103 5.201 4.993 3.927 1.00 0.00 C ATOM 0 H LEU A 103 8.197 8.039 2.099 1.00 0.00 H new ATOM 0 HA LEU A 103 5.606 8.264 0.972 1.00 0.00 H new ATOM 0 HB2 LEU A 103 6.789 6.240 2.027 1.00 0.00 H new ATOM 0 HB3 LEU A 103 6.883 7.075 3.565 1.00 0.00 H new ATOM 0 HG LEU A 103 4.363 6.967 3.755 1.00 0.00 H new ATOM 0 HD11 LEU A 103 3.110 5.458 2.273 1.00 0.00 H new ATOM 0 HD12 LEU A 103 3.808 6.831 1.381 1.00 0.00 H new ATOM 0 HD13 LEU A 103 4.569 5.225 1.281 1.00 0.00 H new ATOM 0 HD21 LEU A 103 4.263 4.531 4.235 1.00 0.00 H new ATOM 0 HD22 LEU A 103 5.763 4.295 3.306 1.00 0.00 H new ATOM 0 HD23 LEU A 103 5.788 5.247 4.810 1.00 0.00 H new ATOM 1620 N PRO A 104 4.924 9.817 3.639 1.00 0.00 N ATOM 1621 CA PRO A 104 4.073 11.020 3.998 1.00 0.00 C ATOM 1622 C PRO A 104 3.913 12.202 2.949 1.00 0.00 C ATOM 1623 O PRO A 104 2.776 12.630 2.784 1.00 0.00 O ATOM 1624 CB PRO A 104 4.646 11.622 5.323 1.00 0.00 C ATOM 1625 CG PRO A 104 5.378 10.469 5.957 1.00 0.00 C ATOM 1626 CD PRO A 104 5.865 9.639 4.762 1.00 0.00 C ATOM 0 HA PRO A 104 3.065 10.610 4.059 1.00 0.00 H new ATOM 0 HB2 PRO A 104 5.315 12.460 5.125 1.00 0.00 H new ATOM 0 HB3 PRO A 104 3.851 11.995 5.969 1.00 0.00 H new ATOM 0 HG2 PRO A 104 6.211 10.813 6.570 1.00 0.00 H new ATOM 0 HG3 PRO A 104 4.723 9.888 6.606 1.00 0.00 H new ATOM 0 HD2 PRO A 104 6.866 9.954 4.468 1.00 0.00 H new ATOM 0 HD3 PRO A 104 5.929 8.586 5.036 1.00 0.00 H new ATOM 1634 N THR A 105 4.998 12.665 2.373 1.00 0.00 N ATOM 1635 CA THR A 105 4.948 13.636 1.205 1.00 0.00 C ATOM 1636 C THR A 105 4.058 13.229 -0.008 1.00 0.00 C ATOM 1637 O THR A 105 3.178 14.020 -0.413 1.00 0.00 O ATOM 1638 CB THR A 105 6.380 14.252 0.978 1.00 0.00 C ATOM 1639 OG1 THR A 105 6.779 14.915 2.159 1.00 0.00 O ATOM 1640 CG2 THR A 105 6.492 15.266 -0.185 1.00 0.00 C ATOM 0 H THR A 105 5.942 12.411 2.663 1.00 0.00 H new ATOM 0 HA THR A 105 4.324 14.492 1.464 1.00 0.00 H new ATOM 0 HB THR A 105 7.017 13.408 0.715 1.00 0.00 H new ATOM 0 HG1 THR A 105 7.226 14.279 2.756 1.00 0.00 H new ATOM 0 HG21 THR A 105 7.518 15.628 -0.254 1.00 0.00 H new ATOM 0 HG22 THR A 105 6.215 14.779 -1.120 1.00 0.00 H new ATOM 0 HG23 THR A 105 5.822 16.106 -0.001 1.00 0.00 H new ATOM 1648 N LEU A 106 4.380 12.063 -0.651 1.00 0.00 N ATOM 1649 CA LEU A 106 3.633 11.373 -1.736 1.00 0.00 C ATOM 1650 C LEU A 106 2.120 11.080 -1.422 1.00 0.00 C ATOM 1651 O LEU A 106 1.204 11.395 -2.195 1.00 0.00 O ATOM 1652 CB LEU A 106 4.421 10.111 -2.073 1.00 0.00 C ATOM 1653 CG LEU A 106 3.930 9.204 -3.317 1.00 0.00 C ATOM 1654 CD1 LEU A 106 3.926 9.846 -4.718 1.00 0.00 C ATOM 1655 CD2 LEU A 106 4.787 7.948 -3.423 1.00 0.00 C ATOM 0 H LEU A 106 5.227 11.552 -0.403 1.00 0.00 H new ATOM 0 HA LEU A 106 3.564 12.040 -2.595 1.00 0.00 H new ATOM 0 HB2 LEU A 106 5.453 10.406 -2.265 1.00 0.00 H new ATOM 0 HB3 LEU A 106 4.430 9.479 -1.185 1.00 0.00 H new ATOM 0 HG LEU A 106 2.886 9.018 -3.065 1.00 0.00 H new ATOM 0 HD11 LEU A 106 3.573 9.120 -5.450 1.00 0.00 H new ATOM 0 HD12 LEU A 106 3.265 10.713 -4.719 1.00 0.00 H new ATOM 0 HD13 LEU A 106 4.937 10.161 -4.977 1.00 0.00 H new ATOM 0 HD21 LEU A 106 4.446 7.345 -4.265 1.00 0.00 H new ATOM 0 HD22 LEU A 106 5.829 8.230 -3.577 1.00 0.00 H new ATOM 0 HD23 LEU A 106 4.700 7.369 -2.503 1.00 0.00 H new ATOM 1667 N VAL A 107 1.809 10.316 -0.368 1.00 0.00 N ATOM 1668 CA VAL A 107 0.421 10.174 0.228 1.00 0.00 C ATOM 1669 C VAL A 107 -0.360 11.478 0.434 1.00 0.00 C ATOM 1670 O VAL A 107 -1.530 11.532 0.028 1.00 0.00 O ATOM 1671 CB VAL A 107 0.347 9.240 1.477 1.00 0.00 C ATOM 1672 CG1 VAL A 107 -1.021 9.131 2.233 1.00 0.00 C ATOM 1673 CG2 VAL A 107 0.716 7.793 1.067 1.00 0.00 C ATOM 0 H VAL A 107 2.508 9.758 0.123 1.00 0.00 H new ATOM 0 HA VAL A 107 -0.110 9.662 -0.574 1.00 0.00 H new ATOM 0 HB VAL A 107 1.042 9.720 2.166 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -0.917 8.448 3.076 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -1.315 10.115 2.598 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -1.784 8.754 1.552 1.00 0.00 H new ATOM 0 HG21 VAL A 107 0.664 7.143 1.940 1.00 0.00 H new ATOM 0 HG22 VAL A 107 0.016 7.440 0.309 1.00 0.00 H new ATOM 0 HG23 VAL A 107 1.728 7.776 0.662 1.00 0.00 H new ATOM 1683 N ALA A 108 0.234 12.459 1.180 1.00 0.00 N ATOM 1684 CA ALA A 108 -0.338 13.797 1.236 1.00 0.00 C ATOM 1685 C ALA A 108 -0.789 14.464 -0.048 1.00 0.00 C ATOM 1686 O ALA A 108 -1.947 14.906 -0.075 1.00 0.00 O ATOM 1687 CB ALA A 108 0.637 14.759 1.971 1.00 0.00 C ATOM 0 H ALA A 108 1.084 12.332 1.729 1.00 0.00 H new ATOM 0 HA ALA A 108 -1.271 13.616 1.769 1.00 0.00 H new ATOM 0 HB1 ALA A 108 0.203 15.758 2.009 1.00 0.00 H new ATOM 0 HB2 ALA A 108 0.808 14.399 2.985 1.00 0.00 H new ATOM 0 HB3 ALA A 108 1.585 14.796 1.435 1.00 0.00 H new ATOM 1693 N LYS A 109 0.073 14.563 -1.111 1.00 0.00 N ATOM 1694 CA LYS A 109 -0.399 14.832 -2.478 1.00 0.00 C ATOM 1695 C LYS A 109 -1.627 14.005 -2.987 1.00 0.00 C ATOM 1696 O LYS A 109 -2.547 14.552 -3.569 1.00 0.00 O ATOM 1697 CB LYS A 109 0.799 14.671 -3.509 1.00 0.00 C ATOM 1698 CG LYS A 109 1.974 15.646 -3.337 1.00 0.00 C ATOM 1699 CD LYS A 109 3.346 15.129 -3.927 1.00 0.00 C ATOM 1700 CE LYS A 109 4.445 16.176 -3.769 1.00 0.00 C ATOM 1701 NZ LYS A 109 5.766 15.640 -4.182 1.00 0.00 N ATOM 0 H LYS A 109 1.085 14.459 -1.031 1.00 0.00 H new ATOM 0 HA LYS A 109 -0.766 15.857 -2.422 1.00 0.00 H new ATOM 0 HB2 LYS A 109 1.183 13.654 -3.433 1.00 0.00 H new ATOM 0 HB3 LYS A 109 0.402 14.787 -4.517 1.00 0.00 H new ATOM 0 HG2 LYS A 109 1.719 16.591 -3.818 1.00 0.00 H new ATOM 0 HG3 LYS A 109 2.105 15.854 -2.275 1.00 0.00 H new ATOM 0 HD2 LYS A 109 3.640 14.210 -3.419 1.00 0.00 H new ATOM 0 HD3 LYS A 109 3.222 14.885 -4.982 1.00 0.00 H new ATOM 0 HE2 LYS A 109 4.203 17.053 -4.369 1.00 0.00 H new ATOM 0 HE3 LYS A 109 4.492 16.503 -2.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 6.492 16.375 -4.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 6.007 14.818 -3.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 5.727 15.351 -5.180 1.00 0.00 H new ATOM 1714 N HIS A 110 -1.557 12.610 -2.872 1.00 0.00 N ATOM 1715 CA HIS A 110 -2.653 11.714 -3.186 1.00 0.00 C ATOM 1716 C HIS A 110 -4.042 11.926 -2.389 1.00 0.00 C ATOM 1717 O HIS A 110 -4.976 12.486 -2.920 1.00 0.00 O ATOM 1718 CB HIS A 110 -2.165 10.244 -3.205 1.00 0.00 C ATOM 1719 CG HIS A 110 -1.595 9.969 -4.586 1.00 0.00 C ATOM 1720 ND1 HIS A 110 -2.331 9.636 -5.660 1.00 0.00 N ATOM 1721 CD2 HIS A 110 -0.253 10.437 -4.941 1.00 0.00 C ATOM 1722 CE1 HIS A 110 -1.339 9.858 -6.609 1.00 0.00 C ATOM 1723 NE2 HIS A 110 -0.096 10.308 -6.279 1.00 0.00 N ATOM 0 H HIS A 110 -0.718 12.124 -2.555 1.00 0.00 H new ATOM 0 HA HIS A 110 -2.957 12.002 -4.192 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -1.407 10.082 -2.438 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -2.989 9.564 -2.988 1.00 0.00 H new ATOM 0 HD2 HIS A 110 0.485 10.820 -4.252 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -1.563 9.666 -7.648 1.00 0.00 H new ATOM 0 HE2 HIS A 110 0.716 10.493 -6.868 1.00 0.00 H new ATOM 1731 N ALA A 111 -4.022 11.584 -1.117 1.00 0.00 N ATOM 1732 CA ALA A 111 -5.121 11.721 -0.152 1.00 0.00 C ATOM 1733 C ALA A 111 -5.778 13.146 0.080 1.00 0.00 C ATOM 1734 O ALA A 111 -7.025 13.146 0.004 1.00 0.00 O ATOM 1735 CB ALA A 111 -4.550 10.964 1.101 1.00 0.00 C ATOM 0 H ALA A 111 -3.190 11.176 -0.691 1.00 0.00 H new ATOM 0 HA ALA A 111 -6.048 11.291 -0.533 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -5.283 10.991 1.908 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -4.341 9.928 0.836 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -3.630 11.447 1.430 1.00 0.00 H new