USER MOD reduce.3.24.130724 H: found=0, std=0, add=839, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 839 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 84 SER OG : rot -164:sc= 0.0421 USER MOD Set 1.2: A 86 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 60 TYR OH : rot -150:sc= 1.21 USER MOD Set 2.2: A 81 TYR OH : rot 35:sc= 1.5 USER MOD Single : A 5 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -2.37! C(o=-2.4!,f=-6.1!) USER MOD Single : A 18 ASN : amide:sc= -0.756 K(o=-0.76,f=-1.8) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 MET CE :methyl 143:sc= -3.73 (180deg=-7.68!) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ -142:sc= -3.16! (180deg=-6.14!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0.00138 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ -123:sc= -5.27! (180deg=-6.97!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 LYS NZ :NH3+ -143:sc=-0.000602 (180deg=-0.107) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ -148:sc= 0 (180deg=-0.0414) USER MOD Single : A 65 ASN : amide:sc= -0.367 K(o=-0.37,f=-3.6) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ -173:sc= -0.813 (180deg=-1.04) USER MOD Single : A 72 HIS : no HD1:sc= -0.98 X(o=-0.98,f=-0.86) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 GLN :FLIP amide:sc= -0.632 F(o=-2.4!,f=-0.63) USER MOD Single : A 82 LYS NZ :NH3+ -133:sc= 0.344 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ -157:sc= -0.0302 (180deg=-0.245) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN : amide:sc= -0.601 K(o=-0.6,f=-1.3) USER MOD Single : A 96 LYS NZ :NH3+ 132:sc= -0.0935 (180deg=-1.02) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 73 N ASN A 5 9.026 5.299 -9.367 1.00 0.00 N ATOM 74 CA ASN A 5 7.639 5.395 -9.814 1.00 0.00 C ATOM 75 C ASN A 5 6.959 4.045 -9.765 1.00 0.00 C ATOM 76 O ASN A 5 6.268 3.616 -10.699 1.00 0.00 O ATOM 77 CB ASN A 5 7.598 5.982 -11.255 1.00 0.00 C ATOM 78 CG ASN A 5 8.762 5.619 -12.184 1.00 0.00 C ATOM 79 OD1 ASN A 5 8.766 4.601 -12.860 1.00 0.00 O ATOM 80 ND2 ASN A 5 9.793 6.418 -12.241 1.00 0.00 N ATOM 0 HA ASN A 5 7.097 6.060 -9.142 1.00 0.00 H new ATOM 0 HB2 ASN A 5 6.672 5.656 -11.728 1.00 0.00 H new ATOM 0 HB3 ASN A 5 7.551 7.068 -11.178 1.00 0.00 H new ATOM 0 HD21 ASN A 5 10.584 6.188 -12.843 1.00 0.00 H new ATOM 0 HD22 ASN A 5 9.808 7.272 -11.684 1.00 0.00 H new ATOM 87 N ALA A 6 7.166 3.347 -8.660 1.00 0.00 N ATOM 88 CA ALA A 6 6.601 2.014 -8.472 1.00 0.00 C ATOM 89 C ALA A 6 6.992 1.438 -7.131 1.00 0.00 C ATOM 90 O ALA A 6 7.882 1.943 -6.431 1.00 0.00 O ATOM 91 CB ALA A 6 7.066 1.141 -9.651 1.00 0.00 C ATOM 0 H ALA A 6 7.724 3.681 -7.874 1.00 0.00 H new ATOM 0 HA ALA A 6 5.512 2.055 -8.464 1.00 0.00 H new ATOM 0 HB1 ALA A 6 6.660 0.135 -9.541 1.00 0.00 H new ATOM 0 HB2 ALA A 6 6.713 1.575 -10.586 1.00 0.00 H new ATOM 0 HB3 ALA A 6 8.155 1.094 -9.662 1.00 0.00 H new ATOM 97 N LEU A 7 6.335 0.355 -6.758 1.00 0.00 N ATOM 98 CA LEU A 7 6.685 -0.402 -5.560 1.00 0.00 C ATOM 99 C LEU A 7 6.515 -1.886 -5.797 1.00 0.00 C ATOM 100 O LEU A 7 5.516 -2.506 -5.409 1.00 0.00 O ATOM 101 CB LEU A 7 5.842 0.068 -4.341 1.00 0.00 C ATOM 102 CG LEU A 7 5.706 1.598 -4.103 1.00 0.00 C ATOM 103 CD1 LEU A 7 4.512 1.960 -3.206 1.00 0.00 C ATOM 104 CD2 LEU A 7 6.998 2.153 -3.489 1.00 0.00 C ATOM 0 H LEU A 7 5.543 -0.028 -7.274 1.00 0.00 H new ATOM 0 HA LEU A 7 7.734 -0.214 -5.333 1.00 0.00 H new ATOM 0 HB2 LEU A 7 4.839 -0.345 -4.448 1.00 0.00 H new ATOM 0 HB3 LEU A 7 6.275 -0.374 -3.444 1.00 0.00 H new ATOM 0 HG LEU A 7 5.527 2.052 -5.078 1.00 0.00 H new ATOM 0 HD11 LEU A 7 4.469 3.041 -3.076 1.00 0.00 H new ATOM 0 HD12 LEU A 7 3.589 1.613 -3.671 1.00 0.00 H new ATOM 0 HD13 LEU A 7 4.630 1.482 -2.233 1.00 0.00 H new ATOM 0 HD21 LEU A 7 6.892 3.226 -3.326 1.00 0.00 H new ATOM 0 HD22 LEU A 7 7.190 1.659 -2.537 1.00 0.00 H new ATOM 0 HD23 LEU A 7 7.831 1.969 -4.167 1.00 0.00 H new ATOM 116 N GLU A 8 7.495 -2.469 -6.469 1.00 0.00 N ATOM 117 CA GLU A 8 7.531 -3.907 -6.713 1.00 0.00 C ATOM 118 C GLU A 8 7.242 -4.682 -5.449 1.00 0.00 C ATOM 119 O GLU A 8 8.090 -4.810 -4.552 1.00 0.00 O ATOM 120 CB GLU A 8 8.928 -4.274 -7.288 1.00 0.00 C ATOM 121 CG GLU A 8 9.336 -3.641 -8.659 1.00 0.00 C ATOM 122 CD GLU A 8 10.450 -4.314 -9.466 1.00 0.00 C ATOM 123 OE1 GLU A 8 10.475 -5.669 -9.339 1.00 0.00 O ATOM 124 OE2 GLU A 8 11.242 -3.688 -10.158 1.00 0.00 O ATOM 0 H GLU A 8 8.288 -1.962 -6.861 1.00 0.00 H new ATOM 0 HA GLU A 8 6.757 -4.175 -7.432 1.00 0.00 H new ATOM 0 HB2 GLU A 8 9.679 -3.992 -6.551 1.00 0.00 H new ATOM 0 HB3 GLU A 8 8.975 -5.358 -7.391 1.00 0.00 H new ATOM 0 HG2 GLU A 8 8.446 -3.605 -9.287 1.00 0.00 H new ATOM 0 HG3 GLU A 8 9.637 -2.610 -8.473 1.00 0.00 H new ATOM 131 N THR A 9 6.040 -5.218 -5.354 1.00 0.00 N ATOM 132 CA THR A 9 5.652 -6.055 -4.218 1.00 0.00 C ATOM 133 C THR A 9 5.437 -7.483 -4.665 1.00 0.00 C ATOM 134 O THR A 9 5.243 -7.755 -5.863 1.00 0.00 O ATOM 135 CB THR A 9 4.374 -5.468 -3.529 1.00 0.00 C ATOM 136 OG1 THR A 9 4.565 -5.367 -2.124 1.00 0.00 O ATOM 137 CG2 THR A 9 3.076 -6.289 -3.679 1.00 0.00 C ATOM 0 H THR A 9 5.306 -5.092 -6.051 1.00 0.00 H new ATOM 0 HA THR A 9 6.457 -6.057 -3.484 1.00 0.00 H new ATOM 0 HB THR A 9 4.249 -4.515 -4.043 1.00 0.00 H new ATOM 0 HG1 THR A 9 3.758 -4.997 -1.710 1.00 0.00 H new ATOM 0 HG21 THR A 9 2.263 -5.782 -3.160 1.00 0.00 H new ATOM 0 HG22 THR A 9 2.827 -6.387 -4.736 1.00 0.00 H new ATOM 0 HG23 THR A 9 3.220 -7.279 -3.247 1.00 0.00 H new ATOM 145 N TRP A 10 5.491 -8.422 -3.740 1.00 0.00 N ATOM 146 CA TRP A 10 5.406 -9.848 -4.054 1.00 0.00 C ATOM 147 C TRP A 10 4.731 -10.599 -2.930 1.00 0.00 C ATOM 148 O TRP A 10 4.689 -10.120 -1.776 1.00 0.00 O ATOM 149 CB TRP A 10 6.836 -10.415 -4.273 1.00 0.00 C ATOM 150 CG TRP A 10 7.539 -9.934 -5.546 1.00 0.00 C ATOM 151 CD1 TRP A 10 8.403 -8.823 -5.639 1.00 0.00 C ATOM 152 CD2 TRP A 10 7.417 -10.426 -6.828 1.00 0.00 C ATOM 153 NE1 TRP A 10 8.827 -8.605 -6.965 1.00 0.00 N ATOM 154 CE2 TRP A 10 8.201 -9.612 -7.683 1.00 0.00 C ATOM 155 CE3 TRP A 10 6.687 -11.526 -7.348 1.00 0.00 C ATOM 156 CZ2 TRP A 10 8.245 -9.881 -9.069 1.00 0.00 C ATOM 157 CZ3 TRP A 10 6.675 -11.715 -8.731 1.00 0.00 C ATOM 158 CH2 TRP A 10 7.448 -10.910 -9.579 1.00 0.00 C ATOM 0 H TRP A 10 5.595 -8.224 -2.745 1.00 0.00 H new ATOM 0 HA TRP A 10 4.816 -9.973 -4.962 1.00 0.00 H new ATOM 0 HB2 TRP A 10 7.451 -10.148 -3.414 1.00 0.00 H new ATOM 0 HB3 TRP A 10 6.779 -11.503 -4.298 1.00 0.00 H new ATOM 0 HD1 TRP A 10 8.702 -8.215 -4.798 1.00 0.00 H new ATOM 0 HE1 TRP A 10 9.449 -7.876 -7.315 1.00 0.00 H new ATOM 0 HE3 TRP A 10 6.155 -12.199 -6.692 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 8.882 -9.303 -9.722 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 6.060 -12.495 -9.155 1.00 0.00 H new ATOM 0 HH2 TRP A 10 7.428 -11.088 -10.644 1.00 0.00 H new ATOM 169 N GLY A 11 4.206 -11.782 -3.196 1.00 0.00 N ATOM 170 CA GLY A 11 3.424 -12.514 -2.204 1.00 0.00 C ATOM 171 C GLY A 11 3.334 -13.991 -2.506 1.00 0.00 C ATOM 172 O GLY A 11 4.019 -14.546 -3.376 1.00 0.00 O ATOM 0 H GLY A 11 4.305 -12.261 -4.091 1.00 0.00 H new ATOM 0 HA2 GLY A 11 3.872 -12.375 -1.220 1.00 0.00 H new ATOM 0 HA3 GLY A 11 2.419 -12.095 -2.159 1.00 0.00 H new ATOM 176 N ALA A 12 2.480 -14.672 -1.758 1.00 0.00 N ATOM 177 CA ALA A 12 2.150 -16.076 -1.983 1.00 0.00 C ATOM 178 C ALA A 12 0.657 -16.256 -2.134 1.00 0.00 C ATOM 179 O ALA A 12 -0.138 -15.337 -1.879 1.00 0.00 O ATOM 180 CB ALA A 12 2.740 -16.886 -0.816 1.00 0.00 C ATOM 0 H ALA A 12 1.988 -14.261 -0.965 1.00 0.00 H new ATOM 0 HA ALA A 12 2.584 -16.438 -2.915 1.00 0.00 H new ATOM 0 HB1 ALA A 12 2.511 -17.943 -0.954 1.00 0.00 H new ATOM 0 HB2 ALA A 12 3.821 -16.750 -0.789 1.00 0.00 H new ATOM 0 HB3 ALA A 12 2.307 -16.540 0.123 1.00 0.00 H new ATOM 186 N LEU A 13 0.240 -17.450 -2.529 1.00 0.00 N ATOM 187 CA LEU A 13 -1.171 -17.678 -2.861 1.00 0.00 C ATOM 188 C LEU A 13 -2.003 -18.118 -1.678 1.00 0.00 C ATOM 189 O LEU A 13 -1.638 -18.978 -0.866 1.00 0.00 O ATOM 190 CB LEU A 13 -1.303 -18.696 -4.031 1.00 0.00 C ATOM 191 CG LEU A 13 -1.184 -18.134 -5.476 1.00 0.00 C ATOM 192 CD1 LEU A 13 -0.857 -16.630 -5.515 1.00 0.00 C ATOM 193 CD2 LEU A 13 -0.103 -18.907 -6.241 1.00 0.00 C ATOM 0 H LEU A 13 0.842 -18.268 -2.628 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.570 -16.713 -3.175 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.538 -19.461 -3.902 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.269 -19.193 -3.940 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.159 -18.263 -5.946 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.787 -16.300 -6.551 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.645 -16.073 -5.009 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.094 -16.451 -5.013 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -0.021 -18.512 -7.254 1.00 0.00 H new ATOM 0 HD22 LEU A 13 0.853 -18.797 -5.730 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -0.372 -19.962 -6.284 1.00 0.00 H new ATOM 205 N GLY A 14 -3.167 -17.491 -1.555 1.00 0.00 N ATOM 206 CA GLY A 14 -4.046 -17.660 -0.394 1.00 0.00 C ATOM 207 C GLY A 14 -3.523 -16.786 0.728 1.00 0.00 C ATOM 208 O GLY A 14 -3.403 -17.217 1.884 1.00 0.00 O ATOM 0 H GLY A 14 -3.533 -16.848 -2.257 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -5.069 -17.381 -0.648 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -4.068 -18.704 -0.083 1.00 0.00 H new ATOM 212 N GLN A 15 -3.218 -15.540 0.387 1.00 0.00 N ATOM 213 CA GLN A 15 -2.463 -14.704 1.325 1.00 0.00 C ATOM 214 C GLN A 15 -2.590 -13.205 1.136 1.00 0.00 C ATOM 215 O GLN A 15 -2.608 -12.630 0.041 1.00 0.00 O ATOM 216 CB GLN A 15 -0.975 -15.116 1.202 1.00 0.00 C ATOM 217 CG GLN A 15 0.079 -13.997 1.489 1.00 0.00 C ATOM 218 CD GLN A 15 1.424 -14.379 2.120 1.00 0.00 C ATOM 219 OE1 GLN A 15 2.239 -15.053 1.510 1.00 0.00 O ATOM 220 NE2 GLN A 15 1.713 -13.981 3.333 1.00 0.00 N ATOM 0 H GLN A 15 -3.468 -15.095 -0.496 1.00 0.00 H new ATOM 0 HA GLN A 15 -2.887 -14.882 2.313 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -0.791 -15.943 1.887 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -0.807 -15.494 0.194 1.00 0.00 H new ATOM 0 HG2 GLN A 15 0.290 -13.496 0.545 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -0.392 -13.262 2.141 1.00 0.00 H new ATOM 0 HE21 GLN A 15 1.044 -13.417 3.858 1.00 0.00 H new ATOM 0 HE22 GLN A 15 2.607 -14.235 3.754 1.00 0.00 H new ATOM 229 N ASP A 16 -2.617 -12.514 2.274 1.00 0.00 N ATOM 230 CA ASP A 16 -2.868 -11.079 2.342 1.00 0.00 C ATOM 231 C ASP A 16 -1.613 -10.271 2.098 1.00 0.00 C ATOM 232 O ASP A 16 -0.479 -10.746 2.250 1.00 0.00 O ATOM 233 CB ASP A 16 -3.504 -10.722 3.715 1.00 0.00 C ATOM 234 CG ASP A 16 -3.143 -9.352 4.306 1.00 0.00 C ATOM 235 OD1 ASP A 16 -1.992 -9.381 5.044 1.00 0.00 O ATOM 236 OD2 ASP A 16 -3.830 -8.353 4.148 1.00 0.00 O ATOM 0 H ASP A 16 -2.463 -12.943 3.187 1.00 0.00 H new ATOM 0 HA ASP A 16 -3.567 -10.820 1.546 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -4.588 -10.773 3.612 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -3.216 -11.489 4.433 1.00 0.00 H new ATOM 241 N ILE A 17 -1.810 -9.025 1.703 1.00 0.00 N ATOM 242 CA ILE A 17 -0.711 -8.072 1.568 1.00 0.00 C ATOM 243 C ILE A 17 -1.227 -6.653 1.579 1.00 0.00 C ATOM 244 O ILE A 17 -2.389 -6.373 1.239 1.00 0.00 O ATOM 245 CB ILE A 17 0.161 -8.377 0.283 1.00 0.00 C ATOM 246 CG1 ILE A 17 1.444 -7.496 0.143 1.00 0.00 C ATOM 247 CG2 ILE A 17 -0.662 -8.265 -1.038 1.00 0.00 C ATOM 248 CD1 ILE A 17 2.611 -8.123 -0.646 1.00 0.00 C ATOM 0 H ILE A 17 -2.726 -8.643 1.468 1.00 0.00 H new ATOM 0 HA ILE A 17 -0.054 -8.187 2.430 1.00 0.00 H new ATOM 0 HB ILE A 17 0.481 -9.407 0.438 1.00 0.00 H new ATOM 0 HG12 ILE A 17 1.167 -6.559 -0.340 1.00 0.00 H new ATOM 0 HG13 ILE A 17 1.800 -7.246 1.142 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -0.016 -8.484 -1.889 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -1.486 -8.978 -1.015 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -1.059 -7.255 -1.135 1.00 0.00 H new ATOM 0 HD11 ILE A 17 3.446 -7.423 -0.678 1.00 0.00 H new ATOM 0 HD12 ILE A 17 2.928 -9.044 -0.156 1.00 0.00 H new ATOM 0 HD13 ILE A 17 2.285 -8.346 -1.662 1.00 0.00 H new ATOM 260 N ASN A 18 -0.366 -5.724 1.950 1.00 0.00 N ATOM 261 CA ASN A 18 -0.766 -4.332 2.138 1.00 0.00 C ATOM 262 C ASN A 18 -0.062 -3.417 1.164 1.00 0.00 C ATOM 263 O ASN A 18 1.173 -3.316 1.126 1.00 0.00 O ATOM 264 CB ASN A 18 -0.467 -3.904 3.606 1.00 0.00 C ATOM 265 CG ASN A 18 0.995 -3.616 3.964 1.00 0.00 C ATOM 266 OD1 ASN A 18 1.916 -4.309 3.558 1.00 0.00 O ATOM 267 ND2 ASN A 18 1.262 -2.608 4.749 1.00 0.00 N ATOM 0 H ASN A 18 0.622 -5.905 2.129 1.00 0.00 H new ATOM 0 HA ASN A 18 -1.835 -4.249 1.944 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -1.051 -3.010 3.824 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -0.829 -4.690 4.268 1.00 0.00 H new ATOM 0 HD21 ASN A 18 2.227 -2.410 5.014 1.00 0.00 H new ATOM 0 HD22 ASN A 18 0.506 -2.019 5.097 1.00 0.00 H new ATOM 274 N LEU A 19 -0.845 -2.711 0.368 1.00 0.00 N ATOM 275 CA LEU A 19 -0.341 -1.665 -0.520 1.00 0.00 C ATOM 276 C LEU A 19 -0.100 -0.392 0.260 1.00 0.00 C ATOM 277 O LEU A 19 -1.034 0.307 0.679 1.00 0.00 O ATOM 278 CB LEU A 19 -1.325 -1.436 -1.702 1.00 0.00 C ATOM 279 CG LEU A 19 -1.349 -2.490 -2.842 1.00 0.00 C ATOM 280 CD1 LEU A 19 -1.910 -1.930 -4.160 1.00 0.00 C ATOM 281 CD2 LEU A 19 0.062 -3.047 -3.075 1.00 0.00 C ATOM 0 H LEU A 19 -1.855 -2.844 0.315 1.00 0.00 H new ATOM 0 HA LEU A 19 0.612 -1.983 -0.943 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.332 -1.366 -1.290 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.094 -0.468 -2.146 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.018 -3.288 -2.520 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.902 -2.711 -4.920 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.932 -1.586 -4.003 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.293 -1.095 -4.492 1.00 0.00 H new ATOM 0 HD21 LEU A 19 0.034 -3.785 -3.876 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.733 -2.234 -3.354 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.423 -3.518 -2.161 1.00 0.00 H new ATOM 293 N ASP A 20 1.163 -0.074 0.468 1.00 0.00 N ATOM 294 CA ASP A 20 1.559 1.023 1.346 1.00 0.00 C ATOM 295 C ASP A 20 1.461 2.350 0.630 1.00 0.00 C ATOM 296 O ASP A 20 0.629 2.536 -0.278 1.00 0.00 O ATOM 297 CB ASP A 20 2.973 0.740 1.926 1.00 0.00 C ATOM 298 CG ASP A 20 3.333 -0.731 2.180 1.00 0.00 C ATOM 299 OD1 ASP A 20 3.100 -1.301 3.236 1.00 0.00 O ATOM 300 OD2 ASP A 20 3.958 -1.316 1.114 1.00 0.00 O ATOM 0 H ASP A 20 1.946 -0.565 0.036 1.00 0.00 H new ATOM 0 HA ASP A 20 0.871 1.089 2.189 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.711 1.158 1.241 1.00 0.00 H new ATOM 0 HB3 ASP A 20 3.069 1.281 2.867 1.00 0.00 H new ATOM 305 N ILE A 21 2.277 3.308 1.023 1.00 0.00 N ATOM 306 CA ILE A 21 2.169 4.681 0.524 1.00 0.00 C ATOM 307 C ILE A 21 3.418 5.464 0.863 1.00 0.00 C ATOM 308 O ILE A 21 4.102 5.182 1.862 1.00 0.00 O ATOM 309 CB ILE A 21 0.826 5.346 1.056 1.00 0.00 C ATOM 310 CG1 ILE A 21 0.753 6.907 1.012 1.00 0.00 C ATOM 311 CG2 ILE A 21 0.488 4.899 2.515 1.00 0.00 C ATOM 312 CD1 ILE A 21 1.384 7.644 2.212 1.00 0.00 C ATOM 0 H ILE A 21 3.033 3.167 1.693 1.00 0.00 H new ATOM 0 HA ILE A 21 2.103 4.683 -0.564 1.00 0.00 H new ATOM 0 HB ILE A 21 0.094 4.976 0.338 1.00 0.00 H new ATOM 0 HG12 ILE A 21 1.244 7.249 0.101 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -0.294 7.201 0.939 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -0.437 5.378 2.837 1.00 0.00 H new ATOM 0 HG22 ILE A 21 0.366 3.816 2.545 1.00 0.00 H new ATOM 0 HG23 ILE A 21 1.299 5.191 3.182 1.00 0.00 H new ATOM 0 HD11 ILE A 21 1.276 8.720 2.076 1.00 0.00 H new ATOM 0 HD12 ILE A 21 0.880 7.342 3.130 1.00 0.00 H new ATOM 0 HD13 ILE A 21 2.442 7.391 2.279 1.00 0.00 H new ATOM 324 N PRO A 22 3.757 6.435 0.037 1.00 0.00 N ATOM 325 CA PRO A 22 4.931 7.399 0.187 1.00 0.00 C ATOM 326 C PRO A 22 5.193 7.919 1.585 1.00 0.00 C ATOM 327 O PRO A 22 4.475 7.681 2.565 1.00 0.00 O ATOM 328 CB PRO A 22 4.596 8.589 -0.707 1.00 0.00 C ATOM 329 CG PRO A 22 3.921 7.872 -1.889 1.00 0.00 C ATOM 330 CD PRO A 22 3.063 6.787 -1.230 1.00 0.00 C ATOM 0 HA PRO A 22 5.836 6.853 -0.078 1.00 0.00 H new ATOM 0 HB2 PRO A 22 3.930 9.300 -0.218 1.00 0.00 H new ATOM 0 HB3 PRO A 22 5.485 9.142 -1.011 1.00 0.00 H new ATOM 0 HG2 PRO A 22 3.312 8.559 -2.476 1.00 0.00 H new ATOM 0 HG3 PRO A 22 4.658 7.440 -2.566 1.00 0.00 H new ATOM 0 HD2 PRO A 22 2.054 7.151 -1.035 1.00 0.00 H new ATOM 0 HD3 PRO A 22 2.968 5.916 -1.879 1.00 0.00 H new ATOM 338 N SER A 23 6.258 8.709 1.692 1.00 0.00 N ATOM 339 CA SER A 23 6.753 9.175 2.984 1.00 0.00 C ATOM 340 C SER A 23 6.085 10.453 3.438 1.00 0.00 C ATOM 341 O SER A 23 6.689 11.282 4.144 1.00 0.00 O ATOM 342 CB SER A 23 8.296 9.335 2.946 1.00 0.00 C ATOM 343 OG SER A 23 8.914 9.057 4.207 1.00 0.00 O ATOM 0 H SER A 23 6.798 9.042 0.893 1.00 0.00 H new ATOM 0 HA SER A 23 6.495 8.414 3.721 1.00 0.00 H new ATOM 0 HB2 SER A 23 8.707 8.667 2.190 1.00 0.00 H new ATOM 0 HB3 SER A 23 8.544 10.352 2.641 1.00 0.00 H new ATOM 0 HG SER A 23 9.884 9.171 4.128 1.00 0.00 H new ATOM 349 N PHE A 24 4.833 10.643 3.072 1.00 0.00 N ATOM 350 CA PHE A 24 4.026 11.749 3.586 1.00 0.00 C ATOM 351 C PHE A 24 2.990 11.241 4.563 1.00 0.00 C ATOM 352 O PHE A 24 2.689 10.035 4.624 1.00 0.00 O ATOM 353 CB PHE A 24 3.301 12.480 2.416 1.00 0.00 C ATOM 354 CG PHE A 24 4.150 12.799 1.176 1.00 0.00 C ATOM 355 CD1 PHE A 24 4.990 13.918 1.180 1.00 0.00 C ATOM 356 CD2 PHE A 24 4.079 11.996 0.035 1.00 0.00 C ATOM 357 CE1 PHE A 24 5.757 14.224 0.062 1.00 0.00 C ATOM 358 CE2 PHE A 24 4.846 12.304 -1.085 1.00 0.00 C ATOM 359 CZ PHE A 24 5.685 13.418 -1.072 1.00 0.00 C ATOM 0 H PHE A 24 4.341 10.041 2.412 1.00 0.00 H new ATOM 0 HA PHE A 24 4.694 12.444 4.095 1.00 0.00 H new ATOM 0 HB2 PHE A 24 2.456 11.867 2.102 1.00 0.00 H new ATOM 0 HB3 PHE A 24 2.892 13.415 2.799 1.00 0.00 H new ATOM 0 HD1 PHE A 24 5.043 14.547 2.056 1.00 0.00 H new ATOM 0 HD2 PHE A 24 3.428 11.135 0.022 1.00 0.00 H new ATOM 0 HE1 PHE A 24 6.408 15.086 0.072 1.00 0.00 H new ATOM 0 HE2 PHE A 24 4.791 11.680 -1.965 1.00 0.00 H new ATOM 0 HZ PHE A 24 6.279 13.656 -1.942 1.00 0.00 H new ATOM 369 N GLN A 25 2.403 12.138 5.332 1.00 0.00 N ATOM 370 CA GLN A 25 1.373 11.764 6.301 1.00 0.00 C ATOM 371 C GLN A 25 0.254 12.778 6.322 1.00 0.00 C ATOM 372 O GLN A 25 0.430 13.941 6.710 1.00 0.00 O ATOM 373 CB GLN A 25 2.020 11.626 7.696 1.00 0.00 C ATOM 374 CG GLN A 25 1.226 10.781 8.746 1.00 0.00 C ATOM 375 CD GLN A 25 1.928 10.336 10.035 1.00 0.00 C ATOM 376 OE1 GLN A 25 2.041 11.094 10.985 1.00 0.00 O ATOM 377 NE2 GLN A 25 2.396 9.118 10.138 1.00 0.00 N ATOM 0 H GLN A 25 2.618 13.135 5.309 1.00 0.00 H new ATOM 0 HA GLN A 25 0.937 10.808 6.010 1.00 0.00 H new ATOM 0 HB2 GLN A 25 3.007 11.180 7.573 1.00 0.00 H new ATOM 0 HB3 GLN A 25 2.171 12.625 8.104 1.00 0.00 H new ATOM 0 HG2 GLN A 25 0.347 11.358 9.034 1.00 0.00 H new ATOM 0 HG3 GLN A 25 0.868 9.884 8.241 1.00 0.00 H new ATOM 0 HE21 GLN A 25 2.310 8.471 9.354 1.00 0.00 H new ATOM 0 HE22 GLN A 25 2.846 8.816 11.002 1.00 0.00 H new ATOM 386 N MET A 26 -0.922 12.348 5.902 1.00 0.00 N ATOM 387 CA MET A 26 -2.108 13.201 5.919 1.00 0.00 C ATOM 388 C MET A 26 -2.713 13.252 7.302 1.00 0.00 C ATOM 389 O MET A 26 -2.332 12.499 8.212 1.00 0.00 O ATOM 390 CB MET A 26 -3.144 12.691 4.880 1.00 0.00 C ATOM 391 CG MET A 26 -2.650 11.612 3.894 1.00 0.00 C ATOM 392 SD MET A 26 -3.150 9.981 4.473 1.00 0.00 S ATOM 393 CE MET A 26 -4.685 9.832 3.548 1.00 0.00 C ATOM 0 H MET A 26 -1.087 11.408 5.542 1.00 0.00 H new ATOM 0 HA MET A 26 -1.813 14.215 5.648 1.00 0.00 H new ATOM 0 HB2 MET A 26 -4.003 12.293 5.420 1.00 0.00 H new ATOM 0 HB3 MET A 26 -3.498 13.545 4.303 1.00 0.00 H new ATOM 0 HG2 MET A 26 -3.061 11.798 2.902 1.00 0.00 H new ATOM 0 HG3 MET A 26 -1.565 11.659 3.803 1.00 0.00 H new ATOM 0 HE1 MET A 26 -4.814 8.800 3.221 1.00 0.00 H new ATOM 0 HE2 MET A 26 -5.522 10.119 4.184 1.00 0.00 H new ATOM 0 HE3 MET A 26 -4.650 10.487 2.677 1.00 0.00 H new ATOM 403 N SER A 27 -3.685 14.128 7.486 1.00 0.00 N ATOM 404 CA SER A 27 -4.423 14.200 8.744 1.00 0.00 C ATOM 405 C SER A 27 -5.684 15.025 8.580 1.00 0.00 C ATOM 406 O SER A 27 -6.726 14.548 8.110 1.00 0.00 O ATOM 407 CB SER A 27 -3.495 14.704 9.886 1.00 0.00 C ATOM 408 OG SER A 27 -2.406 15.500 9.408 1.00 0.00 O ATOM 0 H SER A 27 -3.985 14.802 6.782 1.00 0.00 H new ATOM 0 HA SER A 27 -4.752 13.201 9.031 1.00 0.00 H new ATOM 0 HB2 SER A 27 -4.083 15.289 10.594 1.00 0.00 H new ATOM 0 HB3 SER A 27 -3.100 13.847 10.431 1.00 0.00 H new ATOM 0 HG SER A 27 -1.857 15.791 10.165 1.00 0.00 H new ATOM 414 N ASP A 28 -5.597 16.283 8.968 1.00 0.00 N ATOM 415 CA ASP A 28 -6.753 17.173 9.015 1.00 0.00 C ATOM 416 C ASP A 28 -7.008 17.842 7.685 1.00 0.00 C ATOM 417 O ASP A 28 -8.158 18.205 7.360 1.00 0.00 O ATOM 418 CB ASP A 28 -6.572 18.216 10.152 1.00 0.00 C ATOM 419 CG ASP A 28 -5.506 19.299 9.931 1.00 0.00 C ATOM 420 OD1 ASP A 28 -4.240 18.861 10.205 1.00 0.00 O ATOM 421 OD2 ASP A 28 -5.775 20.433 9.564 1.00 0.00 O ATOM 0 H ASP A 28 -4.724 16.722 9.261 1.00 0.00 H new ATOM 0 HA ASP A 28 -7.636 16.571 9.231 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -7.530 18.710 10.316 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -6.328 17.680 11.069 1.00 0.00 H new ATOM 426 N ASP A 29 -5.980 18.024 6.879 1.00 0.00 N ATOM 427 CA ASP A 29 -6.107 18.796 5.637 1.00 0.00 C ATOM 428 C ASP A 29 -6.640 17.977 4.480 1.00 0.00 C ATOM 429 O ASP A 29 -7.298 18.492 3.565 1.00 0.00 O ATOM 430 CB ASP A 29 -4.746 19.453 5.287 1.00 0.00 C ATOM 431 CG ASP A 29 -4.272 20.587 6.207 1.00 0.00 C ATOM 432 OD1 ASP A 29 -5.005 21.492 6.581 1.00 0.00 O ATOM 433 OD2 ASP A 29 -2.962 20.460 6.575 1.00 0.00 O ATOM 0 H ASP A 29 -5.046 17.653 7.052 1.00 0.00 H new ATOM 0 HA ASP A 29 -6.849 19.576 5.811 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -3.983 18.675 5.285 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -4.807 19.842 4.271 1.00 0.00 H new ATOM 438 N ILE A 30 -6.382 16.684 4.519 1.00 0.00 N ATOM 439 CA ILE A 30 -6.747 15.790 3.422 1.00 0.00 C ATOM 440 C ILE A 30 -8.167 15.298 3.588 1.00 0.00 C ATOM 441 O ILE A 30 -8.615 15.000 4.711 1.00 0.00 O ATOM 442 CB ILE A 30 -5.704 14.610 3.273 1.00 0.00 C ATOM 443 CG1 ILE A 30 -4.362 15.017 2.582 1.00 0.00 C ATOM 444 CG2 ILE A 30 -6.285 13.376 2.516 1.00 0.00 C ATOM 445 CD1 ILE A 30 -3.593 13.881 1.876 1.00 0.00 C ATOM 0 H ILE A 30 -5.918 16.221 5.301 1.00 0.00 H new ATOM 0 HA ILE A 30 -6.710 16.350 2.488 1.00 0.00 H new ATOM 0 HB ILE A 30 -5.489 14.343 4.308 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -4.575 15.795 1.849 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -3.708 15.459 3.334 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -5.523 12.600 2.446 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -7.147 12.989 3.059 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -6.592 13.675 1.514 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -2.680 14.280 1.434 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -3.337 13.109 2.602 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -4.218 13.451 1.093 1.00 0.00 H new ATOM 457 N ASP A 31 -8.891 15.177 2.492 1.00 0.00 N ATOM 458 CA ASP A 31 -10.322 14.883 2.536 1.00 0.00 C ATOM 459 C ASP A 31 -10.692 13.619 1.794 1.00 0.00 C ATOM 460 O ASP A 31 -11.675 12.936 2.183 1.00 0.00 O ATOM 461 CB ASP A 31 -11.120 16.106 1.999 1.00 0.00 C ATOM 462 CG ASP A 31 -11.738 17.037 3.051 1.00 0.00 C ATOM 463 OD1 ASP A 31 -10.890 17.299 4.091 1.00 0.00 O ATOM 464 OD2 ASP A 31 -12.872 17.486 2.962 1.00 0.00 O ATOM 0 H ASP A 31 -8.513 15.278 1.550 1.00 0.00 H new ATOM 0 HA ASP A 31 -10.588 14.701 3.577 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -10.455 16.697 1.369 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -11.921 15.736 1.358 1.00 0.00 H new ATOM 469 N ASP A 32 -9.979 13.243 0.751 1.00 0.00 N ATOM 470 CA ASP A 32 -10.392 12.125 -0.099 1.00 0.00 C ATOM 471 C ASP A 32 -9.246 11.179 -0.382 1.00 0.00 C ATOM 472 O ASP A 32 -8.068 11.439 -0.102 1.00 0.00 O ATOM 473 CB ASP A 32 -11.028 12.666 -1.406 1.00 0.00 C ATOM 474 CG ASP A 32 -12.002 13.845 -1.260 1.00 0.00 C ATOM 475 OD1 ASP A 32 -12.638 14.060 -0.239 1.00 0.00 O ATOM 476 OD2 ASP A 32 -12.057 14.629 -2.378 1.00 0.00 O ATOM 0 H ASP A 32 -9.108 13.691 0.465 1.00 0.00 H new ATOM 0 HA ASP A 32 -11.143 11.544 0.437 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -10.224 12.970 -2.076 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -11.556 11.846 -1.893 1.00 0.00 H new ATOM 481 N ILE A 33 -9.598 10.029 -0.936 1.00 0.00 N ATOM 482 CA ILE A 33 -8.663 8.931 -1.153 1.00 0.00 C ATOM 483 C ILE A 33 -9.044 8.146 -2.386 1.00 0.00 C ATOM 484 O ILE A 33 -10.230 8.140 -2.791 1.00 0.00 O ATOM 485 CB ILE A 33 -8.569 7.999 0.126 1.00 0.00 C ATOM 486 CG1 ILE A 33 -8.724 8.743 1.492 1.00 0.00 C ATOM 487 CG2 ILE A 33 -7.253 7.163 0.180 1.00 0.00 C ATOM 488 CD1 ILE A 33 -7.412 9.209 2.157 1.00 0.00 C ATOM 0 H ILE A 33 -10.547 9.828 -1.251 1.00 0.00 H new ATOM 0 HA ILE A 33 -7.672 9.353 -1.319 1.00 0.00 H new ATOM 0 HB ILE A 33 -9.426 7.338 -0.001 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -9.361 9.614 1.339 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -9.246 8.084 2.186 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -7.250 6.546 1.079 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -7.193 6.522 -0.700 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -6.395 7.835 0.199 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -7.639 9.712 3.097 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -6.776 8.345 2.352 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -6.892 9.899 1.492 1.00 0.00 H new ATOM 500 N LYS A 34 -8.095 7.499 -3.034 1.00 0.00 N ATOM 501 CA LYS A 34 -8.415 6.590 -4.136 1.00 0.00 C ATOM 502 C LYS A 34 -7.317 5.581 -4.395 1.00 0.00 C ATOM 503 O LYS A 34 -6.110 5.836 -4.290 1.00 0.00 O ATOM 504 CB LYS A 34 -8.705 7.422 -5.416 1.00 0.00 C ATOM 505 CG LYS A 34 -9.818 6.829 -6.316 1.00 0.00 C ATOM 506 CD LYS A 34 -9.808 7.328 -7.764 1.00 0.00 C ATOM 507 CE LYS A 34 -10.604 8.637 -7.863 1.00 0.00 C ATOM 508 NZ LYS A 34 -11.800 8.552 -7.007 1.00 0.00 N ATOM 0 H LYS A 34 -7.100 7.580 -2.824 1.00 0.00 H new ATOM 0 HA LYS A 34 -9.299 6.018 -3.853 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -8.989 8.433 -5.123 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -7.787 7.505 -5.998 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -9.722 5.743 -6.320 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -10.786 7.062 -5.873 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -8.783 7.488 -8.097 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -10.243 6.575 -8.422 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -9.982 9.477 -7.554 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -10.896 8.820 -8.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -12.599 9.020 -7.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -12.035 7.553 -6.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -11.611 9.023 -6.099 1.00 0.00 H new ATOM 522 N TRP A 35 -7.746 4.385 -4.765 1.00 0.00 N ATOM 523 CA TRP A 35 -6.864 3.308 -5.200 1.00 0.00 C ATOM 524 C TRP A 35 -7.449 2.611 -6.410 1.00 0.00 C ATOM 525 O TRP A 35 -8.469 1.909 -6.308 1.00 0.00 O ATOM 526 CB TRP A 35 -6.693 2.283 -4.047 1.00 0.00 C ATOM 527 CG TRP A 35 -5.524 2.553 -3.097 1.00 0.00 C ATOM 528 CD1 TRP A 35 -5.612 3.258 -1.875 1.00 0.00 C ATOM 529 CD2 TRP A 35 -4.225 2.099 -3.188 1.00 0.00 C ATOM 530 NE1 TRP A 35 -4.383 3.243 -1.185 1.00 0.00 N ATOM 531 CE2 TRP A 35 -3.543 2.516 -2.015 1.00 0.00 C ATOM 532 CE3 TRP A 35 -3.547 1.367 -4.198 1.00 0.00 C ATOM 533 CZ2 TRP A 35 -2.196 2.142 -1.811 1.00 0.00 C ATOM 534 CZ3 TRP A 35 -2.228 0.976 -3.952 1.00 0.00 C ATOM 535 CH2 TRP A 35 -1.574 1.330 -2.763 1.00 0.00 C ATOM 0 H TRP A 35 -8.733 4.129 -4.772 1.00 0.00 H new ATOM 0 HA TRP A 35 -5.894 3.729 -5.466 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -7.614 2.259 -3.465 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -6.565 1.291 -4.481 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -6.506 3.746 -1.516 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -4.163 3.668 -0.284 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -4.036 1.120 -5.129 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -1.658 2.477 -0.937 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -1.702 0.390 -4.692 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -0.573 0.969 -2.580 1.00 0.00 H new ATOM 546 N GLU A 36 -6.829 2.813 -7.556 1.00 0.00 N ATOM 547 CA GLU A 36 -7.372 2.325 -8.821 1.00 0.00 C ATOM 548 C GLU A 36 -6.653 1.074 -9.266 1.00 0.00 C ATOM 549 O GLU A 36 -5.587 0.707 -8.751 1.00 0.00 O ATOM 550 CB GLU A 36 -7.254 3.449 -9.888 1.00 0.00 C ATOM 551 CG GLU A 36 -7.138 4.925 -9.386 1.00 0.00 C ATOM 552 CD GLU A 36 -6.437 5.945 -10.288 1.00 0.00 C ATOM 553 OE1 GLU A 36 -5.596 5.629 -11.119 1.00 0.00 O ATOM 554 OE2 GLU A 36 -6.837 7.229 -10.079 1.00 0.00 O ATOM 0 H GLU A 36 -5.944 3.313 -7.643 1.00 0.00 H new ATOM 0 HA GLU A 36 -8.422 2.065 -8.690 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -6.380 3.235 -10.503 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -8.126 3.385 -10.539 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -8.146 5.290 -9.192 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -6.614 4.911 -8.430 1.00 0.00 H new ATOM 561 N LYS A 37 -7.219 0.405 -10.256 1.00 0.00 N ATOM 562 CA LYS A 37 -6.633 -0.823 -10.782 1.00 0.00 C ATOM 563 C LYS A 37 -5.763 -0.539 -11.987 1.00 0.00 C ATOM 564 O LYS A 37 -5.523 0.610 -12.375 1.00 0.00 O ATOM 565 CB LYS A 37 -7.761 -1.830 -11.137 1.00 0.00 C ATOM 566 CG LYS A 37 -8.028 -2.889 -10.036 1.00 0.00 C ATOM 567 CD LYS A 37 -8.419 -4.274 -10.558 1.00 0.00 C ATOM 568 CE LYS A 37 -9.637 -4.788 -9.779 1.00 0.00 C ATOM 569 NZ LYS A 37 -10.534 -5.516 -10.694 1.00 0.00 N ATOM 0 H LYS A 37 -8.085 0.689 -10.714 1.00 0.00 H new ATOM 0 HA LYS A 37 -5.995 -1.263 -10.015 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -8.681 -1.277 -11.327 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -7.500 -2.341 -12.063 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -7.133 -2.987 -9.422 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -8.823 -2.524 -9.386 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -8.650 -4.222 -11.622 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -7.584 -4.966 -10.447 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -9.315 -5.444 -8.970 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -10.167 -3.953 -9.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -11.360 -5.865 -10.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -10.851 -4.877 -11.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -10.025 -6.321 -11.112 1.00 0.00 H new ATOM 583 N THR A 38 -5.219 -1.597 -12.560 1.00 0.00 N ATOM 584 CA THR A 38 -4.475 -1.602 -13.823 1.00 0.00 C ATOM 585 C THR A 38 -5.100 -0.825 -14.971 1.00 0.00 C ATOM 586 O THR A 38 -5.254 0.418 -14.872 1.00 0.00 O ATOM 587 CB THR A 38 -4.231 -3.091 -14.270 1.00 0.00 C ATOM 588 OG1 THR A 38 -5.466 -3.799 -14.305 1.00 0.00 O ATOM 589 CG2 THR A 38 -3.331 -3.953 -13.361 1.00 0.00 C ATOM 0 H THR A 38 -5.283 -2.526 -12.143 1.00 0.00 H new ATOM 0 HA THR A 38 -3.545 -1.076 -13.607 1.00 0.00 H new ATOM 0 HB THR A 38 -3.734 -2.967 -15.232 1.00 0.00 H new ATOM 0 HG1 THR A 38 -5.305 -4.724 -14.586 1.00 0.00 H new ATOM 0 HG21 THR A 38 -3.244 -4.955 -13.780 1.00 0.00 H new ATOM 0 HG22 THR A 38 -2.342 -3.500 -13.294 1.00 0.00 H new ATOM 0 HG23 THR A 38 -3.771 -4.013 -12.365 1.00 0.00 H new ATOM 597 N SER A 39 -5.413 -1.437 -16.099 1.00 0.00 N ATOM 598 CA SER A 39 -5.876 -0.702 -17.287 1.00 0.00 C ATOM 599 C SER A 39 -7.298 -0.238 -17.098 1.00 0.00 C ATOM 600 O SER A 39 -7.774 0.702 -17.756 1.00 0.00 O ATOM 601 CB SER A 39 -5.710 -1.551 -18.571 1.00 0.00 C ATOM 602 OG SER A 39 -4.535 -2.369 -18.549 1.00 0.00 O ATOM 0 H SER A 39 -5.358 -2.447 -16.228 1.00 0.00 H new ATOM 0 HA SER A 39 -5.252 0.183 -17.411 1.00 0.00 H new ATOM 0 HB2 SER A 39 -6.587 -2.186 -18.697 1.00 0.00 H new ATOM 0 HB3 SER A 39 -5.670 -0.889 -19.436 1.00 0.00 H new ATOM 0 HG SER A 39 -4.480 -2.884 -19.381 1.00 0.00 H new ATOM 608 N ASP A 40 -8.023 -0.901 -16.214 1.00 0.00 N ATOM 609 CA ASP A 40 -9.355 -0.441 -15.825 1.00 0.00 C ATOM 610 C ASP A 40 -9.270 0.923 -15.177 1.00 0.00 C ATOM 611 O ASP A 40 -10.143 1.785 -15.384 1.00 0.00 O ATOM 612 CB ASP A 40 -10.051 -1.483 -14.912 1.00 0.00 C ATOM 613 CG ASP A 40 -11.145 -2.344 -15.559 1.00 0.00 C ATOM 614 OD1 ASP A 40 -12.162 -1.600 -16.088 1.00 0.00 O ATOM 615 OD2 ASP A 40 -11.099 -3.565 -15.593 1.00 0.00 O ATOM 0 H ASP A 40 -7.718 -1.757 -15.751 1.00 0.00 H new ATOM 0 HA ASP A 40 -9.971 -0.340 -16.718 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -9.287 -2.149 -14.511 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -10.490 -0.955 -14.065 1.00 0.00 H new ATOM 620 N LYS A 41 -8.214 1.157 -14.414 1.00 0.00 N ATOM 621 CA LYS A 41 -8.056 2.439 -13.723 1.00 0.00 C ATOM 622 C LYS A 41 -9.326 2.792 -12.981 1.00 0.00 C ATOM 623 O LYS A 41 -9.831 3.922 -13.017 1.00 0.00 O ATOM 624 CB LYS A 41 -7.680 3.541 -14.750 1.00 0.00 C ATOM 625 CG LYS A 41 -7.480 2.987 -16.187 1.00 0.00 C ATOM 626 CD LYS A 41 -7.754 3.973 -17.322 1.00 0.00 C ATOM 627 CE LYS A 41 -6.776 5.152 -17.232 1.00 0.00 C ATOM 628 NZ LYS A 41 -6.852 5.947 -18.471 1.00 0.00 N ATOM 0 H LYS A 41 -7.459 0.489 -14.255 1.00 0.00 H new ATOM 0 HA LYS A 41 -7.252 2.361 -12.991 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -8.463 4.299 -14.764 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -6.764 4.035 -14.426 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -6.454 2.631 -16.280 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -8.131 2.122 -16.317 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -7.648 3.473 -18.285 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -8.781 4.335 -17.262 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -7.019 5.775 -16.371 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -5.760 4.786 -17.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -6.190 6.747 -18.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -6.600 5.349 -19.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -7.820 6.308 -18.593 1.00 0.00 H new ATOM 642 N LYS A 42 -9.865 1.801 -12.290 1.00 0.00 N ATOM 643 CA LYS A 42 -11.168 1.911 -11.645 1.00 0.00 C ATOM 644 C LYS A 42 -11.047 1.737 -10.148 1.00 0.00 C ATOM 645 O LYS A 42 -10.722 0.663 -9.625 1.00 0.00 O ATOM 646 CB LYS A 42 -12.137 0.862 -12.254 1.00 0.00 C ATOM 647 CG LYS A 42 -13.535 0.855 -11.587 1.00 0.00 C ATOM 648 CD LYS A 42 -14.107 -0.537 -11.305 1.00 0.00 C ATOM 649 CE LYS A 42 -13.557 -1.528 -12.340 1.00 0.00 C ATOM 650 NZ LYS A 42 -12.194 -1.934 -11.953 1.00 0.00 N ATOM 0 H LYS A 42 -9.413 0.896 -12.159 1.00 0.00 H new ATOM 0 HA LYS A 42 -11.570 2.908 -11.824 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -12.252 1.060 -13.320 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -11.693 -0.129 -12.160 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -13.476 1.405 -10.648 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -14.231 1.395 -12.229 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -13.837 -0.857 -10.298 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -15.196 -0.512 -11.351 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -14.205 -2.402 -12.403 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -13.545 -1.069 -13.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -11.534 -1.718 -12.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -11.907 -1.416 -11.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -12.178 -2.956 -11.760 1.00 0.00 H new ATOM 664 N LYS A 43 -11.286 2.821 -9.430 1.00 0.00 N ATOM 665 CA LYS A 43 -11.091 2.893 -7.986 1.00 0.00 C ATOM 666 C LYS A 43 -11.737 1.740 -7.253 1.00 0.00 C ATOM 667 O LYS A 43 -12.944 1.751 -6.956 1.00 0.00 O ATOM 668 CB LYS A 43 -11.662 4.247 -7.462 1.00 0.00 C ATOM 669 CG LYS A 43 -13.172 4.420 -7.766 1.00 0.00 C ATOM 670 CD LYS A 43 -13.594 5.836 -8.169 1.00 0.00 C ATOM 671 CE LYS A 43 -13.946 5.853 -9.663 1.00 0.00 C ATOM 672 NZ LYS A 43 -15.371 5.515 -9.836 1.00 0.00 N ATOM 0 H LYS A 43 -11.627 3.692 -9.838 1.00 0.00 H new ATOM 0 HA LYS A 43 -10.021 2.829 -7.791 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -11.503 4.311 -6.386 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -11.108 5.069 -7.915 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -13.447 3.734 -8.567 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -13.741 4.125 -6.884 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -14.452 6.155 -7.577 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -12.787 6.540 -7.965 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -13.741 6.837 -10.085 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -13.324 5.139 -10.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -15.610 5.526 -10.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -15.553 4.567 -9.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -15.957 6.213 -9.334 1.00 0.00 H new ATOM 686 N ILE A 44 -10.961 0.713 -6.963 1.00 0.00 N ATOM 687 CA ILE A 44 -11.409 -0.374 -6.099 1.00 0.00 C ATOM 688 C ILE A 44 -11.715 0.140 -4.709 1.00 0.00 C ATOM 689 O ILE A 44 -12.594 -0.384 -4.004 1.00 0.00 O ATOM 690 CB ILE A 44 -10.364 -1.564 -6.071 1.00 0.00 C ATOM 691 CG1 ILE A 44 -8.921 -1.151 -5.637 1.00 0.00 C ATOM 692 CG2 ILE A 44 -10.264 -2.316 -7.434 1.00 0.00 C ATOM 693 CD1 ILE A 44 -7.883 -1.033 -6.773 1.00 0.00 C ATOM 0 H ILE A 44 -10.009 0.604 -7.314 1.00 0.00 H new ATOM 0 HA ILE A 44 -12.333 -0.777 -6.515 1.00 0.00 H new ATOM 0 HB ILE A 44 -10.772 -2.227 -5.308 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -8.978 -0.192 -5.122 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -8.557 -1.880 -4.913 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -9.533 -3.120 -7.353 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -11.237 -2.735 -7.691 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -9.952 -1.619 -8.212 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -6.919 -0.741 -6.356 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -7.784 -1.994 -7.277 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -8.211 -0.280 -7.489 1.00 0.00 H new ATOM 705 N ALA A 45 -11.000 1.163 -4.281 1.00 0.00 N ATOM 706 CA ALA A 45 -11.116 1.682 -2.914 1.00 0.00 C ATOM 707 C ALA A 45 -11.052 3.191 -2.912 1.00 0.00 C ATOM 708 O ALA A 45 -10.176 3.777 -3.600 1.00 0.00 O ATOM 709 CB ALA A 45 -10.002 1.034 -2.074 1.00 0.00 C ATOM 0 H ALA A 45 -10.324 1.661 -4.860 1.00 0.00 H new ATOM 0 HA ALA A 45 -12.081 1.426 -2.475 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -10.060 1.400 -1.049 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -10.125 -0.049 -2.081 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -9.031 1.292 -2.497 1.00 0.00 H new ATOM 715 N GLN A 46 -11.903 3.879 -2.170 1.00 0.00 N ATOM 716 CA GLN A 46 -11.974 5.344 -2.262 1.00 0.00 C ATOM 717 C GLN A 46 -12.598 6.003 -1.051 1.00 0.00 C ATOM 718 O GLN A 46 -13.391 5.434 -0.289 1.00 0.00 O ATOM 719 CB GLN A 46 -12.776 5.698 -3.536 1.00 0.00 C ATOM 720 CG GLN A 46 -13.638 7.002 -3.479 1.00 0.00 C ATOM 721 CD GLN A 46 -14.654 7.281 -4.595 1.00 0.00 C ATOM 722 OE1 GLN A 46 -15.627 6.562 -4.757 1.00 0.00 O ATOM 723 NE2 GLN A 46 -14.498 8.319 -5.376 1.00 0.00 N ATOM 0 H GLN A 46 -12.551 3.462 -1.502 1.00 0.00 H new ATOM 0 HA GLN A 46 -10.955 5.728 -2.307 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -12.075 5.788 -4.366 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -13.437 4.862 -3.766 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -14.183 6.993 -2.535 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -12.951 7.847 -3.443 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -13.691 8.931 -5.256 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -15.183 8.516 -6.105 1.00 0.00 H new ATOM 732 N PHE A 47 -12.253 7.272 -0.863 1.00 0.00 N ATOM 733 CA PHE A 47 -12.853 8.142 0.144 1.00 0.00 C ATOM 734 C PHE A 47 -13.493 9.349 -0.513 1.00 0.00 C ATOM 735 O PHE A 47 -12.885 9.995 -1.387 1.00 0.00 O ATOM 736 CB PHE A 47 -11.782 8.659 1.156 1.00 0.00 C ATOM 737 CG PHE A 47 -12.296 9.091 2.539 1.00 0.00 C ATOM 738 CD1 PHE A 47 -13.498 9.792 2.665 1.00 0.00 C ATOM 739 CD2 PHE A 47 -11.524 8.838 3.679 1.00 0.00 C ATOM 740 CE1 PHE A 47 -13.923 10.232 3.915 1.00 0.00 C ATOM 741 CE2 PHE A 47 -11.953 9.273 4.928 1.00 0.00 C ATOM 742 CZ PHE A 47 -13.153 9.969 5.047 1.00 0.00 C ATOM 0 H PHE A 47 -11.533 7.735 -1.418 1.00 0.00 H new ATOM 0 HA PHE A 47 -13.602 7.552 0.672 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -11.040 7.873 1.298 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -11.267 9.506 0.704 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -14.099 9.993 1.790 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -10.591 8.302 3.588 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -14.850 10.778 4.008 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -11.356 9.071 5.805 1.00 0.00 H new ATOM 0 HZ PHE A 47 -13.488 10.305 6.017 1.00 0.00 H new ATOM 752 N ARG A 48 -14.696 9.698 -0.099 1.00 0.00 N ATOM 753 CA ARG A 48 -15.439 10.806 -0.697 1.00 0.00 C ATOM 754 C ARG A 48 -16.564 11.257 0.205 1.00 0.00 C ATOM 755 O ARG A 48 -17.530 10.518 0.455 1.00 0.00 O ATOM 756 CB ARG A 48 -15.969 10.360 -2.088 1.00 0.00 C ATOM 757 CG ARG A 48 -16.930 11.362 -2.783 1.00 0.00 C ATOM 758 CD ARG A 48 -17.668 10.739 -3.976 1.00 0.00 C ATOM 759 NE ARG A 48 -19.015 11.357 -4.074 1.00 0.00 N ATOM 760 CZ ARG A 48 -19.832 11.265 -5.115 1.00 0.00 C ATOM 761 NH1 ARG A 48 -19.554 10.625 -6.212 1.00 0.00 N ATOM 762 NH2 ARG A 48 -20.973 11.851 -5.028 1.00 0.00 N ATOM 0 H ARG A 48 -15.190 9.227 0.659 1.00 0.00 H new ATOM 0 HA ARG A 48 -14.777 11.662 -0.824 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -15.117 10.184 -2.744 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -16.485 9.407 -1.974 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -17.659 11.724 -2.058 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -16.362 12.228 -3.123 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -17.108 10.905 -4.896 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -17.755 9.660 -3.846 1.00 0.00 H new ATOM 0 HE ARG A 48 -19.339 11.898 -3.273 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -18.657 10.151 -6.312 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -20.233 10.597 -6.972 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -21.220 12.362 -4.181 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -21.631 11.805 -5.806 1.00 0.00 H new ATOM 776 N LYS A 49 -16.466 12.472 0.711 1.00 0.00 N ATOM 777 CA LYS A 49 -17.414 12.985 1.699 1.00 0.00 C ATOM 778 C LYS A 49 -17.264 12.251 3.011 1.00 0.00 C ATOM 779 O LYS A 49 -16.968 11.048 3.060 1.00 0.00 O ATOM 780 CB LYS A 49 -18.862 12.863 1.150 1.00 0.00 C ATOM 781 CG LYS A 49 -19.816 13.975 1.657 1.00 0.00 C ATOM 782 CD LYS A 49 -19.960 15.179 0.722 1.00 0.00 C ATOM 783 CE LYS A 49 -21.125 16.057 1.199 1.00 0.00 C ATOM 784 NZ LYS A 49 -22.400 15.460 0.763 1.00 0.00 N ATOM 0 H LYS A 49 -15.733 13.133 0.454 1.00 0.00 H new ATOM 0 HA LYS A 49 -17.202 14.038 1.884 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -18.832 12.891 0.061 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -19.268 11.892 1.433 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -20.802 13.540 1.820 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -19.459 14.326 2.625 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -19.036 15.757 0.710 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -20.139 14.842 -0.299 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -21.106 16.147 2.285 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -21.025 17.064 0.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -23.064 16.215 0.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -22.232 14.843 -0.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -22.805 14.900 1.540 1.00 0.00 H new ATOM 798 N GLU A 50 -17.489 12.962 4.100 1.00 0.00 N ATOM 799 CA GLU A 50 -17.398 12.385 5.439 1.00 0.00 C ATOM 800 C GLU A 50 -18.725 11.826 5.896 1.00 0.00 C ATOM 801 O GLU A 50 -19.067 11.886 7.097 1.00 0.00 O ATOM 802 CB GLU A 50 -16.892 13.488 6.413 1.00 0.00 C ATOM 803 CG GLU A 50 -16.299 13.022 7.783 1.00 0.00 C ATOM 804 CD GLU A 50 -16.487 13.928 9.003 1.00 0.00 C ATOM 805 OE1 GLU A 50 -17.320 14.824 9.045 1.00 0.00 O ATOM 806 OE2 GLU A 50 -15.643 13.644 10.033 1.00 0.00 O ATOM 0 H GLU A 50 -17.739 13.951 4.088 1.00 0.00 H new ATOM 0 HA GLU A 50 -16.698 11.550 5.425 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -16.129 14.069 5.896 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -17.723 14.163 6.618 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -16.734 12.051 8.020 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -15.229 12.867 7.646 1.00 0.00 H new ATOM 813 N LYS A 51 -19.498 11.254 4.995 1.00 0.00 N ATOM 814 CA LYS A 51 -20.787 10.616 5.325 1.00 0.00 C ATOM 815 C LYS A 51 -20.867 9.130 4.976 1.00 0.00 C ATOM 816 O LYS A 51 -21.806 8.417 5.342 1.00 0.00 O ATOM 817 CB LYS A 51 -21.904 11.372 4.555 1.00 0.00 C ATOM 818 CG LYS A 51 -23.184 11.633 5.384 1.00 0.00 C ATOM 819 CD LYS A 51 -24.374 12.166 4.578 1.00 0.00 C ATOM 820 CE LYS A 51 -24.551 11.311 3.317 1.00 0.00 C ATOM 821 NZ LYS A 51 -25.976 11.278 2.943 1.00 0.00 N ATOM 0 H LYS A 51 -19.261 11.211 4.004 1.00 0.00 H new ATOM 0 HA LYS A 51 -20.903 10.677 6.407 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -21.508 12.327 4.209 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -22.171 10.797 3.668 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -23.480 10.704 5.871 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -22.949 12.347 6.174 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -25.281 12.136 5.182 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -24.207 13.208 4.305 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -23.959 11.722 2.500 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -24.187 10.299 3.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -26.097 10.698 2.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -26.530 10.867 3.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -26.308 12.245 2.755 1.00 0.00 H new ATOM 835 N GLU A 52 -19.842 8.682 4.276 1.00 0.00 N ATOM 836 CA GLU A 52 -19.797 7.327 3.741 1.00 0.00 C ATOM 837 C GLU A 52 -18.524 7.094 2.959 1.00 0.00 C ATOM 838 O GLU A 52 -17.992 7.997 2.296 1.00 0.00 O ATOM 839 CB GLU A 52 -21.054 7.106 2.853 1.00 0.00 C ATOM 840 CG GLU A 52 -21.043 5.878 1.883 1.00 0.00 C ATOM 841 CD GLU A 52 -21.145 4.476 2.487 1.00 0.00 C ATOM 842 OE1 GLU A 52 -21.558 4.267 3.620 1.00 0.00 O ATOM 843 OE2 GLU A 52 -20.735 3.486 1.646 1.00 0.00 O ATOM 0 H GLU A 52 -19.017 9.242 4.061 1.00 0.00 H new ATOM 0 HA GLU A 52 -19.800 6.608 4.560 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -21.918 7.008 3.510 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -21.207 8.005 2.256 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -21.870 6.000 1.183 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -20.123 5.923 1.300 1.00 0.00 H new ATOM 850 N THR A 53 -18.012 5.879 3.021 1.00 0.00 N ATOM 851 CA THR A 53 -16.757 5.528 2.359 1.00 0.00 C ATOM 852 C THR A 53 -16.958 4.393 1.381 1.00 0.00 C ATOM 853 O THR A 53 -18.006 3.726 1.363 1.00 0.00 O ATOM 854 CB THR A 53 -15.663 5.161 3.418 1.00 0.00 C ATOM 855 OG1 THR A 53 -15.839 3.827 3.876 1.00 0.00 O ATOM 856 CG2 THR A 53 -15.643 6.013 4.706 1.00 0.00 C ATOM 0 H THR A 53 -18.447 5.107 3.527 1.00 0.00 H new ATOM 0 HA THR A 53 -16.415 6.397 1.797 1.00 0.00 H new ATOM 0 HB THR A 53 -14.738 5.335 2.869 1.00 0.00 H new ATOM 0 HG1 THR A 53 -15.146 3.614 4.536 1.00 0.00 H new ATOM 0 HG21 THR A 53 -14.844 5.664 5.360 1.00 0.00 H new ATOM 0 HG22 THR A 53 -15.471 7.058 4.448 1.00 0.00 H new ATOM 0 HG23 THR A 53 -16.600 5.919 5.220 1.00 0.00 H new ATOM 864 N PHE A 54 -15.958 4.136 0.559 1.00 0.00 N ATOM 865 CA PHE A 54 -16.028 3.080 -0.449 1.00 0.00 C ATOM 866 C PHE A 54 -15.121 1.925 -0.087 1.00 0.00 C ATOM 867 O PHE A 54 -13.913 1.933 -0.369 1.00 0.00 O ATOM 868 CB PHE A 54 -15.601 3.631 -1.843 1.00 0.00 C ATOM 869 CG PHE A 54 -15.803 2.691 -3.043 1.00 0.00 C ATOM 870 CD1 PHE A 54 -16.772 1.684 -2.978 1.00 0.00 C ATOM 871 CD2 PHE A 54 -15.023 2.823 -4.195 1.00 0.00 C ATOM 872 CE1 PHE A 54 -16.959 0.819 -4.052 1.00 0.00 C ATOM 873 CE2 PHE A 54 -15.207 1.953 -5.267 1.00 0.00 C ATOM 874 CZ PHE A 54 -16.174 0.953 -5.195 1.00 0.00 C ATOM 0 H PHE A 54 -15.075 4.647 0.566 1.00 0.00 H new ATOM 0 HA PHE A 54 -17.060 2.730 -0.488 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -16.157 4.550 -2.032 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -14.546 3.901 -1.795 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -17.378 1.577 -2.090 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -14.276 3.601 -4.254 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -17.711 0.046 -3.999 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -14.600 2.054 -6.154 1.00 0.00 H new ATOM 0 HZ PHE A 54 -16.316 0.280 -6.028 1.00 0.00 H new ATOM 884 N LYS A 55 -15.702 0.907 0.521 1.00 0.00 N ATOM 885 CA LYS A 55 -14.989 -0.321 0.859 1.00 0.00 C ATOM 886 C LYS A 55 -15.956 -1.441 1.163 1.00 0.00 C ATOM 887 O LYS A 55 -16.394 -1.631 2.310 1.00 0.00 O ATOM 888 CB LYS A 55 -14.050 -0.058 2.069 1.00 0.00 C ATOM 889 CG LYS A 55 -14.673 0.878 3.136 1.00 0.00 C ATOM 890 CD LYS A 55 -14.288 0.555 4.583 1.00 0.00 C ATOM 891 CE LYS A 55 -15.127 -0.631 5.078 1.00 0.00 C ATOM 892 NZ LYS A 55 -15.448 -0.442 6.504 1.00 0.00 N ATOM 0 H LYS A 55 -16.684 0.904 0.797 1.00 0.00 H new ATOM 0 HA LYS A 55 -14.389 -0.629 0.003 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -13.794 -1.010 2.535 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -13.119 0.381 1.709 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -14.375 1.903 2.917 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -15.758 0.835 3.046 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -13.226 0.315 4.644 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -14.455 1.424 5.219 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -16.044 -0.710 4.495 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -14.579 -1.562 4.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -16.017 -1.245 6.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -14.567 -0.387 7.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -15.987 0.439 6.625 1.00 0.00 H new ATOM 906 N GLU A 56 -16.294 -2.222 0.154 1.00 0.00 N ATOM 907 CA GLU A 56 -17.319 -3.255 0.282 1.00 0.00 C ATOM 908 C GLU A 56 -16.806 -4.455 1.043 1.00 0.00 C ATOM 909 O GLU A 56 -17.566 -5.152 1.741 1.00 0.00 O ATOM 910 CB GLU A 56 -17.794 -3.654 -1.143 1.00 0.00 C ATOM 911 CG GLU A 56 -18.531 -2.560 -1.986 1.00 0.00 C ATOM 912 CD GLU A 56 -18.726 -2.803 -3.484 1.00 0.00 C ATOM 913 OE1 GLU A 56 -18.866 -4.117 -3.814 1.00 0.00 O ATOM 914 OE2 GLU A 56 -18.754 -1.898 -4.307 1.00 0.00 O ATOM 0 H GLU A 56 -15.873 -2.164 -0.773 1.00 0.00 H new ATOM 0 HA GLU A 56 -18.159 -2.862 0.854 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -16.923 -3.986 -1.708 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -18.459 -4.512 -1.049 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -19.516 -2.408 -1.544 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -17.981 -1.626 -1.870 1.00 0.00 H new ATOM 921 N LYS A 57 -15.525 -4.745 0.921 1.00 0.00 N ATOM 922 CA LYS A 57 -14.942 -5.941 1.527 1.00 0.00 C ATOM 923 C LYS A 57 -13.494 -5.711 1.887 1.00 0.00 C ATOM 924 O LYS A 57 -12.826 -4.811 1.346 1.00 0.00 O ATOM 925 CB LYS A 57 -15.088 -7.140 0.549 1.00 0.00 C ATOM 926 CG LYS A 57 -16.557 -7.454 0.170 1.00 0.00 C ATOM 927 CD LYS A 57 -17.404 -8.038 1.303 1.00 0.00 C ATOM 928 CE LYS A 57 -17.055 -9.522 1.483 1.00 0.00 C ATOM 929 NZ LYS A 57 -18.146 -10.351 0.941 1.00 0.00 N ATOM 0 H LYS A 57 -14.859 -4.169 0.406 1.00 0.00 H new ATOM 0 HA LYS A 57 -15.476 -6.169 2.449 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -14.524 -6.928 -0.359 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -14.641 -8.025 1.002 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -17.030 -6.537 -0.182 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -16.560 -8.155 -0.665 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -17.218 -7.494 2.229 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -18.464 -7.927 1.075 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -16.120 -9.752 0.971 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -16.904 -9.746 2.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -17.911 -11.357 1.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -19.029 -10.138 1.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -18.270 -10.144 -0.071 1.00 0.00 H new ATOM 943 N ASP A 58 -12.972 -6.501 2.808 1.00 0.00 N ATOM 944 CA ASP A 58 -11.560 -6.401 3.188 1.00 0.00 C ATOM 945 C ASP A 58 -10.629 -6.941 2.124 1.00 0.00 C ATOM 946 O ASP A 58 -9.433 -6.609 2.085 1.00 0.00 O ATOM 947 CB ASP A 58 -11.303 -7.109 4.547 1.00 0.00 C ATOM 948 CG ASP A 58 -12.274 -6.820 5.697 1.00 0.00 C ATOM 949 OD1 ASP A 58 -13.432 -6.469 5.523 1.00 0.00 O ATOM 950 OD2 ASP A 58 -11.699 -6.974 6.929 1.00 0.00 O ATOM 0 H ASP A 58 -13.496 -7.219 3.309 1.00 0.00 H new ATOM 0 HA ASP A 58 -11.339 -5.339 3.294 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -11.304 -8.185 4.370 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -10.300 -6.841 4.880 1.00 0.00 H new ATOM 955 N THR A 59 -11.153 -7.799 1.268 1.00 0.00 N ATOM 956 CA THR A 59 -10.384 -8.293 0.131 1.00 0.00 C ATOM 957 C THR A 59 -9.727 -7.138 -0.603 1.00 0.00 C ATOM 958 O THR A 59 -8.777 -7.329 -1.375 1.00 0.00 O ATOM 959 CB THR A 59 -11.266 -9.079 -0.908 1.00 0.00 C ATOM 960 OG1 THR A 59 -11.814 -10.261 -0.342 1.00 0.00 O ATOM 961 CG2 THR A 59 -10.541 -9.569 -2.181 1.00 0.00 C ATOM 0 H THR A 59 -12.101 -8.169 1.334 1.00 0.00 H new ATOM 0 HA THR A 59 -9.640 -8.974 0.545 1.00 0.00 H new ATOM 0 HB THR A 59 -12.009 -8.329 -1.179 1.00 0.00 H new ATOM 0 HG1 THR A 59 -12.357 -10.724 -1.014 1.00 0.00 H new ATOM 0 HG21 THR A 59 -11.248 -10.096 -2.822 1.00 0.00 H new ATOM 0 HG22 THR A 59 -10.132 -8.714 -2.719 1.00 0.00 H new ATOM 0 HG23 THR A 59 -9.731 -10.243 -1.902 1.00 0.00 H new ATOM 969 N TYR A 60 -10.283 -5.951 -0.448 1.00 0.00 N ATOM 970 CA TYR A 60 -9.665 -4.732 -0.970 1.00 0.00 C ATOM 971 C TYR A 60 -10.042 -3.538 -0.121 1.00 0.00 C ATOM 972 O TYR A 60 -11.002 -2.806 -0.432 1.00 0.00 O ATOM 973 CB TYR A 60 -10.137 -4.446 -2.423 1.00 0.00 C ATOM 974 CG TYR A 60 -9.361 -5.138 -3.549 1.00 0.00 C ATOM 975 CD1 TYR A 60 -9.678 -6.452 -3.901 1.00 0.00 C ATOM 976 CD2 TYR A 60 -8.350 -4.462 -4.236 1.00 0.00 C ATOM 977 CE1 TYR A 60 -8.998 -7.082 -4.940 1.00 0.00 C ATOM 978 CE2 TYR A 60 -7.675 -5.091 -5.280 1.00 0.00 C ATOM 979 CZ TYR A 60 -8.003 -6.397 -5.633 1.00 0.00 C ATOM 980 OH TYR A 60 -7.343 -7.014 -6.658 1.00 0.00 O ATOM 0 H TYR A 60 -11.167 -5.798 0.037 1.00 0.00 H new ATOM 0 HA TYR A 60 -8.586 -4.887 -0.951 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -11.184 -4.737 -2.504 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -10.091 -3.370 -2.590 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -10.453 -6.981 -3.366 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -8.091 -3.451 -3.958 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -9.242 -8.100 -5.208 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -6.898 -4.566 -5.815 1.00 0.00 H new ATOM 0 HH TYR A 60 -6.430 -6.663 -6.718 1.00 0.00 H new ATOM 990 N LYS A 61 -9.333 -3.312 0.968 1.00 0.00 N ATOM 991 CA LYS A 61 -9.689 -2.287 1.949 1.00 0.00 C ATOM 992 C LYS A 61 -8.977 -0.976 1.700 1.00 0.00 C ATOM 993 O LYS A 61 -7.945 -0.889 1.021 1.00 0.00 O ATOM 994 CB LYS A 61 -9.361 -2.824 3.373 1.00 0.00 C ATOM 995 CG LYS A 61 -10.233 -2.223 4.503 1.00 0.00 C ATOM 996 CD LYS A 61 -10.971 -3.254 5.364 1.00 0.00 C ATOM 997 CE LYS A 61 -11.449 -2.584 6.660 1.00 0.00 C ATOM 998 NZ LYS A 61 -11.538 -3.593 7.731 1.00 0.00 N ATOM 0 H LYS A 61 -8.489 -3.833 1.205 1.00 0.00 H new ATOM 0 HA LYS A 61 -10.755 -2.081 1.857 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -9.482 -3.907 3.376 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -8.313 -2.619 3.592 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -9.598 -1.618 5.150 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -10.966 -1.551 4.058 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -11.821 -3.660 4.816 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -10.312 -4.090 5.595 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -10.758 -1.792 6.949 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -12.422 -2.117 6.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -11.862 -3.140 8.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -12.213 -4.334 7.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -10.602 -4.018 7.886 1.00 0.00 H new ATOM 1012 N LEU A 62 -9.543 0.092 2.236 1.00 0.00 N ATOM 1013 CA LEU A 62 -8.936 1.421 2.251 1.00 0.00 C ATOM 1014 C LEU A 62 -8.687 1.857 3.680 1.00 0.00 C ATOM 1015 O LEU A 62 -9.479 1.508 4.588 1.00 0.00 O ATOM 1016 CB LEU A 62 -9.832 2.460 1.516 1.00 0.00 C ATOM 1017 CG LEU A 62 -9.509 3.966 1.730 1.00 0.00 C ATOM 1018 CD1 LEU A 62 -8.039 4.242 1.383 1.00 0.00 C ATOM 1019 CD2 LEU A 62 -10.419 4.897 0.914 1.00 0.00 C ATOM 0 H LEU A 62 -10.459 0.063 2.684 1.00 0.00 H new ATOM 0 HA LEU A 62 -7.985 1.368 1.721 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -9.779 2.253 0.447 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -10.864 2.291 1.823 1.00 0.00 H new ATOM 0 HG LEU A 62 -9.694 4.181 2.782 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -7.821 5.299 1.536 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -7.395 3.642 2.026 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -7.856 3.981 0.341 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -10.144 5.934 1.106 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -10.302 4.681 -0.148 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -11.457 4.737 1.204 1.00 0.00 H new ATOM 1031 N PHE A 63 -7.625 2.589 3.951 1.00 0.00 N ATOM 1032 CA PHE A 63 -7.349 3.077 5.303 1.00 0.00 C ATOM 1033 C PHE A 63 -7.132 4.572 5.313 1.00 0.00 C ATOM 1034 O PHE A 63 -7.000 5.223 4.267 1.00 0.00 O ATOM 1035 CB PHE A 63 -6.076 2.384 5.878 1.00 0.00 C ATOM 1036 CG PHE A 63 -6.115 0.852 5.996 1.00 0.00 C ATOM 1037 CD1 PHE A 63 -6.939 0.108 5.145 1.00 0.00 C ATOM 1038 CD2 PHE A 63 -5.327 0.191 6.942 1.00 0.00 C ATOM 1039 CE1 PHE A 63 -6.974 -1.279 5.236 1.00 0.00 C ATOM 1040 CE2 PHE A 63 -5.363 -1.198 7.033 1.00 0.00 C ATOM 1041 CZ PHE A 63 -6.187 -1.932 6.182 1.00 0.00 C ATOM 0 H PHE A 63 -6.932 2.864 3.255 1.00 0.00 H new ATOM 0 HA PHE A 63 -8.216 2.839 5.919 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -5.228 2.655 5.249 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -5.883 2.796 6.868 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -7.551 0.614 4.413 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -4.689 0.758 7.604 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -7.610 -1.849 4.575 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -4.752 -1.707 7.764 1.00 0.00 H new ATOM 0 HZ PHE A 63 -6.216 -3.009 6.256 1.00 0.00 H new ATOM 1051 N LYS A 64 -7.111 5.149 6.502 1.00 0.00 N ATOM 1052 CA LYS A 64 -6.993 6.596 6.656 1.00 0.00 C ATOM 1053 C LYS A 64 -5.624 7.078 6.241 1.00 0.00 C ATOM 1054 O LYS A 64 -5.455 8.198 5.728 1.00 0.00 O ATOM 1055 CB LYS A 64 -7.299 6.993 8.127 1.00 0.00 C ATOM 1056 CG LYS A 64 -6.423 6.260 9.173 1.00 0.00 C ATOM 1057 CD LYS A 64 -7.159 5.202 10.000 1.00 0.00 C ATOM 1058 CE LYS A 64 -6.372 4.925 11.288 1.00 0.00 C ATOM 1059 NZ LYS A 64 -6.680 5.966 12.285 1.00 0.00 N ATOM 0 H LYS A 64 -7.174 4.637 7.382 1.00 0.00 H new ATOM 0 HA LYS A 64 -7.720 7.077 6.002 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -7.158 8.068 8.239 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -8.348 6.786 8.338 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -5.590 5.783 8.658 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -5.997 6.999 9.851 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -8.164 5.548 10.242 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -7.268 4.284 9.423 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -6.631 3.942 11.681 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -5.303 4.913 11.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -5.845 6.132 12.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -6.938 6.848 11.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -7.474 5.653 12.879 1.00 0.00 H new ATOM 1073 N ASN A 65 -4.611 6.261 6.465 1.00 0.00 N ATOM 1074 CA ASN A 65 -3.230 6.660 6.204 1.00 0.00 C ATOM 1075 C ASN A 65 -2.839 6.445 4.759 1.00 0.00 C ATOM 1076 O ASN A 65 -1.647 6.593 4.403 1.00 0.00 O ATOM 1077 CB ASN A 65 -2.280 5.864 7.148 1.00 0.00 C ATOM 1078 CG ASN A 65 -2.441 4.340 7.174 1.00 0.00 C ATOM 1079 OD1 ASN A 65 -3.187 3.749 6.407 1.00 0.00 O ATOM 1080 ND2 ASN A 65 -1.751 3.629 8.090 1.00 0.00 N ATOM 0 H ASN A 65 -4.714 5.313 6.828 1.00 0.00 H new ATOM 0 HA ASN A 65 -3.141 7.728 6.401 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -1.252 6.091 6.864 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -2.420 6.237 8.163 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -1.857 2.615 8.134 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -1.124 4.105 8.738 1.00 0.00 H new ATOM 1086 N GLY A 66 -3.771 6.122 3.884 1.00 0.00 N ATOM 1087 CA GLY A 66 -3.466 5.908 2.469 1.00 0.00 C ATOM 1088 C GLY A 66 -2.989 4.507 2.178 1.00 0.00 C ATOM 1089 O GLY A 66 -2.374 4.249 1.119 1.00 0.00 O ATOM 0 H GLY A 66 -4.755 6.000 4.123 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -4.356 6.114 1.875 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -2.702 6.619 2.155 1.00 0.00 H new ATOM 1093 N THR A 67 -3.216 3.566 3.075 1.00 0.00 N ATOM 1094 CA THR A 67 -2.908 2.159 2.815 1.00 0.00 C ATOM 1095 C THR A 67 -4.090 1.449 2.200 1.00 0.00 C ATOM 1096 O THR A 67 -5.259 1.777 2.466 1.00 0.00 O ATOM 1097 CB THR A 67 -2.461 1.448 4.138 1.00 0.00 C ATOM 1098 OG1 THR A 67 -1.068 1.628 4.353 1.00 0.00 O ATOM 1099 CG2 THR A 67 -2.670 -0.080 4.199 1.00 0.00 C ATOM 0 H THR A 67 -3.614 3.745 3.997 1.00 0.00 H new ATOM 0 HA THR A 67 -2.085 2.116 2.101 1.00 0.00 H new ATOM 0 HB THR A 67 -3.101 1.917 4.885 1.00 0.00 H new ATOM 0 HG1 THR A 67 -0.805 1.180 5.184 1.00 0.00 H new ATOM 0 HG21 THR A 67 -2.323 -0.457 5.161 1.00 0.00 H new ATOM 0 HG22 THR A 67 -3.729 -0.307 4.081 1.00 0.00 H new ATOM 0 HG23 THR A 67 -2.105 -0.557 3.398 1.00 0.00 H new ATOM 1107 N LEU A 68 -3.820 0.449 1.382 1.00 0.00 N ATOM 1108 CA LEU A 68 -4.874 -0.399 0.828 1.00 0.00 C ATOM 1109 C LEU A 68 -4.560 -1.862 1.035 1.00 0.00 C ATOM 1110 O LEU A 68 -3.595 -2.407 0.480 1.00 0.00 O ATOM 1111 CB LEU A 68 -5.097 -0.090 -0.680 1.00 0.00 C ATOM 1112 CG LEU A 68 -5.957 -1.086 -1.506 1.00 0.00 C ATOM 1113 CD1 LEU A 68 -7.355 -0.500 -1.749 1.00 0.00 C ATOM 1114 CD2 LEU A 68 -5.309 -1.460 -2.849 1.00 0.00 C ATOM 0 H LEU A 68 -2.878 0.199 1.082 1.00 0.00 H new ATOM 0 HA LEU A 68 -5.798 -0.176 1.361 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -5.560 0.894 -0.755 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.119 -0.019 -1.155 1.00 0.00 H new ATOM 0 HG LEU A 68 -6.033 -2.001 -0.919 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -7.950 -1.206 -2.329 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -7.843 -0.314 -0.792 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -7.266 0.437 -2.299 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -5.954 -2.158 -3.382 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -5.172 -0.561 -3.450 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.341 -1.927 -2.668 1.00 0.00 H new ATOM 1126 N LYS A 69 -5.387 -2.533 1.813 1.00 0.00 N ATOM 1127 CA LYS A 69 -5.135 -3.911 2.231 1.00 0.00 C ATOM 1128 C LYS A 69 -5.996 -4.895 1.475 1.00 0.00 C ATOM 1129 O LYS A 69 -7.207 -5.026 1.768 1.00 0.00 O ATOM 1130 CB LYS A 69 -5.395 -4.022 3.762 1.00 0.00 C ATOM 1131 CG LYS A 69 -4.437 -4.978 4.513 1.00 0.00 C ATOM 1132 CD LYS A 69 -5.109 -5.850 5.579 1.00 0.00 C ATOM 1133 CE LYS A 69 -4.235 -5.877 6.840 1.00 0.00 C ATOM 1134 NZ LYS A 69 -4.483 -7.127 7.580 1.00 0.00 N ATOM 0 H LYS A 69 -6.256 -2.143 2.177 1.00 0.00 H new ATOM 0 HA LYS A 69 -4.098 -4.162 2.007 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -5.315 -3.029 4.203 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -6.420 -4.359 3.919 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -3.950 -5.628 3.786 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -3.654 -4.387 4.987 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -6.097 -5.456 5.816 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -5.251 -6.862 5.200 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -3.182 -5.805 6.568 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -4.460 -5.017 7.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -3.892 -7.147 8.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -5.486 -7.177 7.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -4.247 -7.940 6.976 1.00 0.00 H new ATOM 1148 N ILE A 70 -5.441 -5.641 0.540 1.00 0.00 N ATOM 1149 CA ILE A 70 -6.214 -6.636 -0.218 1.00 0.00 C ATOM 1150 C ILE A 70 -5.957 -8.004 0.376 1.00 0.00 C ATOM 1151 O ILE A 70 -4.825 -8.506 0.429 1.00 0.00 O ATOM 1152 CB ILE A 70 -5.980 -6.550 -1.785 1.00 0.00 C ATOM 1153 CG1 ILE A 70 -4.566 -6.965 -2.307 1.00 0.00 C ATOM 1154 CG2 ILE A 70 -6.289 -5.124 -2.344 1.00 0.00 C ATOM 1155 CD1 ILE A 70 -3.428 -5.944 -2.123 1.00 0.00 C ATOM 0 H ILE A 70 -4.457 -5.585 0.278 1.00 0.00 H new ATOM 0 HA ILE A 70 -7.277 -6.418 -0.118 1.00 0.00 H new ATOM 0 HB ILE A 70 -6.683 -7.295 -2.157 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -4.277 -7.889 -1.806 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -4.650 -7.192 -3.370 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -6.116 -5.110 -3.420 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -7.330 -4.871 -2.141 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -5.638 -4.395 -1.862 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -2.502 -6.354 -2.527 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -3.677 -5.023 -2.650 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -3.298 -5.731 -1.062 1.00 0.00 H new ATOM 1167 N LYS A 71 -7.023 -8.621 0.863 1.00 0.00 N ATOM 1168 CA LYS A 71 -6.916 -9.794 1.730 1.00 0.00 C ATOM 1169 C LYS A 71 -6.921 -11.176 1.092 1.00 0.00 C ATOM 1170 O LYS A 71 -7.704 -11.548 0.211 1.00 0.00 O ATOM 1171 CB LYS A 71 -8.094 -9.725 2.763 1.00 0.00 C ATOM 1172 CG LYS A 71 -7.911 -10.712 3.941 1.00 0.00 C ATOM 1173 CD LYS A 71 -9.101 -10.801 4.902 1.00 0.00 C ATOM 1174 CE LYS A 71 -9.911 -12.066 4.586 1.00 0.00 C ATOM 1175 NZ LYS A 71 -10.183 -12.124 3.139 1.00 0.00 N ATOM 0 H LYS A 71 -7.982 -8.329 0.673 1.00 0.00 H new ATOM 0 HA LYS A 71 -5.916 -9.719 2.157 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -8.171 -8.710 3.153 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -9.033 -9.943 2.253 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -7.715 -11.705 3.536 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -7.027 -10.418 4.507 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -8.750 -10.828 5.933 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -9.731 -9.917 4.803 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -9.359 -12.952 4.899 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -10.848 -12.060 5.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -10.830 -12.913 2.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -10.620 -11.232 2.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -9.291 -12.268 2.624 1.00 0.00 H new ATOM 1189 N HIS A 72 -6.012 -12.017 1.584 1.00 0.00 N ATOM 1190 CA HIS A 72 -5.939 -13.459 1.391 1.00 0.00 C ATOM 1191 C HIS A 72 -6.381 -13.945 0.029 1.00 0.00 C ATOM 1192 O HIS A 72 -7.524 -14.395 -0.152 1.00 0.00 O ATOM 1193 CB HIS A 72 -6.867 -14.057 2.472 1.00 0.00 C ATOM 1194 CG HIS A 72 -6.888 -15.557 2.452 1.00 0.00 C ATOM 1195 ND1 HIS A 72 -7.900 -16.350 1.916 1.00 0.00 N ATOM 1196 CD2 HIS A 72 -5.868 -16.330 2.990 1.00 0.00 C ATOM 1197 CE1 HIS A 72 -7.403 -17.572 2.186 1.00 0.00 C ATOM 1198 NE2 HIS A 72 -6.200 -17.649 2.818 1.00 0.00 N ATOM 0 H HIS A 72 -5.251 -11.679 2.172 1.00 0.00 H new ATOM 0 HA HIS A 72 -4.897 -13.770 1.467 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -6.541 -13.715 3.454 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -7.880 -13.682 2.324 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -4.970 -15.958 3.461 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -7.943 -18.465 1.909 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -5.677 -18.480 3.094 1.00 0.00 H new ATOM 1207 N LEU A 73 -5.463 -13.936 -0.928 1.00 0.00 N ATOM 1208 CA LEU A 73 -5.748 -14.504 -2.241 1.00 0.00 C ATOM 1209 C LEU A 73 -4.505 -14.894 -3.033 1.00 0.00 C ATOM 1210 O LEU A 73 -3.346 -14.575 -2.748 1.00 0.00 O ATOM 1211 CB LEU A 73 -6.619 -13.529 -3.083 1.00 0.00 C ATOM 1212 CG LEU A 73 -8.093 -13.310 -2.642 1.00 0.00 C ATOM 1213 CD1 LEU A 73 -8.799 -12.346 -3.605 1.00 0.00 C ATOM 1214 CD2 LEU A 73 -8.886 -14.624 -2.552 1.00 0.00 C ATOM 0 H LEU A 73 -4.526 -13.547 -0.824 1.00 0.00 H new ATOM 0 HA LEU A 73 -6.295 -15.427 -2.046 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -6.124 -12.558 -3.090 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -6.627 -13.890 -4.111 1.00 0.00 H new ATOM 0 HG LEU A 73 -8.061 -12.879 -1.641 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -9.831 -12.202 -3.284 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -8.281 -11.387 -3.604 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -8.787 -12.764 -4.612 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -9.908 -14.411 -2.240 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -8.898 -15.109 -3.528 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -8.414 -15.284 -1.824 1.00 0.00 H new ATOM 1226 N LYS A 74 -4.774 -15.602 -4.129 1.00 0.00 N ATOM 1227 CA LYS A 74 -3.778 -16.245 -4.978 1.00 0.00 C ATOM 1228 C LYS A 74 -3.332 -15.325 -6.097 1.00 0.00 C ATOM 1229 O LYS A 74 -3.330 -14.087 -5.938 1.00 0.00 O ATOM 1230 CB LYS A 74 -4.371 -17.594 -5.497 1.00 0.00 C ATOM 1231 CG LYS A 74 -5.854 -17.852 -5.097 1.00 0.00 C ATOM 1232 CD LYS A 74 -6.393 -19.214 -5.546 1.00 0.00 C ATOM 1233 CE LYS A 74 -7.807 -19.417 -4.986 1.00 0.00 C ATOM 1234 NZ LYS A 74 -7.735 -20.222 -3.754 1.00 0.00 N ATOM 0 H LYS A 74 -5.728 -15.748 -4.460 1.00 0.00 H new ATOM 0 HA LYS A 74 -2.876 -16.461 -4.405 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -4.294 -17.614 -6.584 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -3.759 -18.413 -5.119 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -5.946 -17.776 -4.014 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -6.477 -17.067 -5.526 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -6.411 -19.269 -6.634 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -5.735 -20.010 -5.197 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -8.269 -18.452 -4.777 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -8.434 -19.917 -5.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -8.693 -20.360 -3.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -7.310 -21.147 -3.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -7.151 -19.728 -3.050 1.00 0.00 H new ATOM 1248 N THR A 75 -2.875 -15.864 -7.212 1.00 0.00 N ATOM 1249 CA THR A 75 -2.570 -15.066 -8.402 1.00 0.00 C ATOM 1250 C THR A 75 -3.687 -14.116 -8.778 1.00 0.00 C ATOM 1251 O THR A 75 -3.493 -13.118 -9.484 1.00 0.00 O ATOM 1252 CB THR A 75 -2.251 -16.010 -9.615 1.00 0.00 C ATOM 1253 OG1 THR A 75 -1.182 -16.890 -9.296 1.00 0.00 O ATOM 1254 CG2 THR A 75 -1.809 -15.323 -10.924 1.00 0.00 C ATOM 0 H THR A 75 -2.703 -16.863 -7.326 1.00 0.00 H new ATOM 0 HA THR A 75 -1.699 -14.458 -8.157 1.00 0.00 H new ATOM 0 HB THR A 75 -3.210 -16.500 -9.786 1.00 0.00 H new ATOM 0 HG1 THR A 75 -0.998 -17.472 -10.062 1.00 0.00 H new ATOM 0 HG21 THR A 75 -1.618 -16.079 -11.685 1.00 0.00 H new ATOM 0 HG22 THR A 75 -2.597 -14.653 -11.268 1.00 0.00 H new ATOM 0 HG23 THR A 75 -0.899 -14.751 -10.745 1.00 0.00 H new ATOM 1262 N ASP A 76 -4.889 -14.443 -8.339 1.00 0.00 N ATOM 1263 CA ASP A 76 -6.050 -13.591 -8.590 1.00 0.00 C ATOM 1264 C ASP A 76 -5.888 -12.217 -7.974 1.00 0.00 C ATOM 1265 O ASP A 76 -6.117 -11.174 -8.603 1.00 0.00 O ATOM 1266 CB ASP A 76 -7.341 -14.290 -8.092 1.00 0.00 C ATOM 1267 CG ASP A 76 -8.229 -14.948 -9.158 1.00 0.00 C ATOM 1268 OD1 ASP A 76 -8.878 -14.036 -9.943 1.00 0.00 O ATOM 1269 OD2 ASP A 76 -8.351 -16.159 -9.269 1.00 0.00 O ATOM 0 H ASP A 76 -5.092 -15.289 -7.807 1.00 0.00 H new ATOM 0 HA ASP A 76 -6.132 -13.440 -9.666 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -7.056 -15.054 -7.369 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -7.941 -13.554 -7.558 1.00 0.00 H new ATOM 1274 N ASP A 77 -5.462 -12.204 -6.722 1.00 0.00 N ATOM 1275 CA ASP A 77 -5.211 -10.969 -5.985 1.00 0.00 C ATOM 1276 C ASP A 77 -4.007 -10.226 -6.516 1.00 0.00 C ATOM 1277 O ASP A 77 -3.762 -9.060 -6.126 1.00 0.00 O ATOM 1278 CB ASP A 77 -5.068 -11.274 -4.468 1.00 0.00 C ATOM 1279 CG ASP A 77 -6.161 -10.714 -3.548 1.00 0.00 C ATOM 1280 OD1 ASP A 77 -7.149 -10.127 -3.966 1.00 0.00 O ATOM 1281 OD2 ASP A 77 -5.895 -10.919 -2.222 1.00 0.00 O ATOM 0 H ASP A 77 -5.279 -13.050 -6.183 1.00 0.00 H new ATOM 0 HA ASP A 77 -6.068 -10.311 -6.128 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -5.036 -12.356 -4.340 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -4.107 -10.885 -4.131 1.00 0.00 H new ATOM 1286 N GLN A 78 -3.215 -10.842 -7.373 1.00 0.00 N ATOM 1287 CA GLN A 78 -2.060 -10.162 -7.967 1.00 0.00 C ATOM 1288 C GLN A 78 -2.491 -9.273 -9.109 1.00 0.00 C ATOM 1289 O GLN A 78 -2.991 -9.733 -10.146 1.00 0.00 O ATOM 1290 CB GLN A 78 -1.028 -11.207 -8.442 1.00 0.00 C ATOM 1291 CG GLN A 78 0.003 -10.720 -9.515 1.00 0.00 C ATOM 1292 CD GLN A 78 -0.072 -11.281 -10.940 1.00 0.00 C ATOM 1293 OE1 GLN A 78 -0.363 -12.542 -11.132 1.00 0.00 O flip ATOM 1294 NE2 GLN A 78 0.160 -10.575 -11.909 1.00 0.00 N flip ATOM 0 H GLN A 78 -3.342 -11.807 -7.678 1.00 0.00 H new ATOM 0 HA GLN A 78 -1.596 -9.529 -7.211 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -0.476 -11.563 -7.572 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -1.568 -12.062 -8.849 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -0.085 -9.636 -9.585 1.00 0.00 H new ATOM 0 HG3 GLN A 78 1.000 -10.934 -9.131 1.00 0.00 H new ATOM 0 HE21 GLN A 78 0.389 -9.590 -11.779 1.00 0.00 H new ATOM 0 HE22 GLN A 78 0.125 -10.971 -12.848 1.00 0.00 H new ATOM 1303 N ASP A 79 -2.290 -7.978 -8.941 1.00 0.00 N ATOM 1304 CA ASP A 79 -2.571 -7.006 -9.992 1.00 0.00 C ATOM 1305 C ASP A 79 -1.710 -5.773 -9.839 1.00 0.00 C ATOM 1306 O ASP A 79 -0.952 -5.606 -8.874 1.00 0.00 O ATOM 1307 CB ASP A 79 -4.083 -6.658 -10.010 1.00 0.00 C ATOM 1308 CG ASP A 79 -5.056 -7.832 -10.193 1.00 0.00 C ATOM 1309 OD1 ASP A 79 -5.428 -8.402 -9.007 1.00 0.00 O ATOM 1310 OD2 ASP A 79 -5.453 -8.206 -11.287 1.00 0.00 O ATOM 0 H ASP A 79 -1.930 -7.569 -8.079 1.00 0.00 H new ATOM 0 HA ASP A 79 -2.319 -7.450 -10.955 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -4.328 -6.155 -9.075 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -4.258 -5.942 -10.813 1.00 0.00 H new ATOM 1315 N ILE A 80 -1.791 -4.895 -10.828 1.00 0.00 N ATOM 1316 CA ILE A 80 -1.139 -3.591 -10.757 1.00 0.00 C ATOM 1317 C ILE A 80 -2.116 -2.531 -10.291 1.00 0.00 C ATOM 1318 O ILE A 80 -3.257 -2.405 -10.755 1.00 0.00 O ATOM 1319 CB ILE A 80 -0.437 -3.195 -12.120 1.00 0.00 C ATOM 1320 CG1 ILE A 80 0.489 -4.301 -12.722 1.00 0.00 C ATOM 1321 CG2 ILE A 80 0.393 -1.878 -12.009 1.00 0.00 C ATOM 1322 CD1 ILE A 80 -0.204 -5.601 -13.178 1.00 0.00 C ATOM 0 H ILE A 80 -2.304 -5.061 -11.694 1.00 0.00 H new ATOM 0 HA ILE A 80 -0.342 -3.660 -10.017 1.00 0.00 H new ATOM 0 HB ILE A 80 -1.280 -3.054 -12.797 1.00 0.00 H new ATOM 0 HG12 ILE A 80 1.017 -3.877 -13.576 1.00 0.00 H new ATOM 0 HG13 ILE A 80 1.243 -4.558 -11.978 1.00 0.00 H new ATOM 0 HG21 ILE A 80 0.852 -1.655 -12.972 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -0.264 -1.057 -11.721 1.00 0.00 H new ATOM 0 HG23 ILE A 80 1.172 -2.001 -11.256 1.00 0.00 H new ATOM 0 HD11 ILE A 80 0.541 -6.290 -13.577 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -0.707 -6.063 -12.328 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -0.936 -5.371 -13.952 1.00 0.00 H new ATOM 1334 N TYR A 81 -1.671 -1.748 -9.324 1.00 0.00 N ATOM 1335 CA TYR A 81 -2.486 -0.759 -8.625 1.00 0.00 C ATOM 1336 C TYR A 81 -1.830 0.600 -8.672 1.00 0.00 C ATOM 1337 O TYR A 81 -0.647 0.736 -9.046 1.00 0.00 O ATOM 1338 CB TYR A 81 -2.664 -1.177 -7.130 1.00 0.00 C ATOM 1339 CG TYR A 81 -3.240 -2.580 -6.899 1.00 0.00 C ATOM 1340 CD1 TYR A 81 -2.657 -3.677 -7.542 1.00 0.00 C ATOM 1341 CD2 TYR A 81 -4.335 -2.777 -6.055 1.00 0.00 C ATOM 1342 CE1 TYR A 81 -3.163 -4.958 -7.338 1.00 0.00 C ATOM 1343 CE2 TYR A 81 -4.838 -4.060 -5.852 1.00 0.00 C ATOM 1344 CZ TYR A 81 -4.253 -5.148 -6.495 1.00 0.00 C ATOM 1345 OH TYR A 81 -4.753 -6.405 -6.300 1.00 0.00 O ATOM 0 H TYR A 81 -0.707 -1.780 -8.991 1.00 0.00 H new ATOM 0 HA TYR A 81 -3.457 -0.709 -9.118 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -1.694 -1.116 -6.636 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -3.316 -0.451 -6.643 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -1.812 -3.530 -8.198 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -4.792 -1.934 -5.559 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -2.710 -5.803 -7.834 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -5.682 -4.211 -5.196 1.00 0.00 H new ATOM 0 HH TYR A 81 -4.020 -7.055 -6.315 1.00 0.00 H new ATOM 1355 N LYS A 82 -2.557 1.641 -8.315 1.00 0.00 N ATOM 1356 CA LYS A 82 -1.983 2.982 -8.209 1.00 0.00 C ATOM 1357 C LYS A 82 -2.757 3.817 -7.218 1.00 0.00 C ATOM 1358 O LYS A 82 -3.995 3.915 -7.275 1.00 0.00 O ATOM 1359 CB LYS A 82 -1.969 3.650 -9.611 1.00 0.00 C ATOM 1360 CG LYS A 82 -1.197 4.993 -9.655 1.00 0.00 C ATOM 1361 CD LYS A 82 -0.802 5.464 -11.058 1.00 0.00 C ATOM 1362 CE LYS A 82 -1.807 6.517 -11.544 1.00 0.00 C ATOM 1363 NZ LYS A 82 -2.814 5.874 -12.406 1.00 0.00 N ATOM 0 H LYS A 82 -3.551 1.590 -8.091 1.00 0.00 H new ATOM 0 HA LYS A 82 -0.958 2.906 -7.845 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -1.522 2.961 -10.327 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -2.996 3.821 -9.932 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -1.811 5.764 -9.188 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -0.294 4.896 -9.052 1.00 0.00 H new ATOM 0 HD2 LYS A 82 0.203 5.885 -11.043 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -0.783 4.618 -11.746 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -2.293 6.992 -10.692 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -1.289 7.302 -12.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -2.944 6.439 -13.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -2.492 4.919 -12.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -3.718 5.810 -11.896 1.00 0.00 H new ATOM 1377 N VAL A 83 -2.055 4.448 -6.296 1.00 0.00 N ATOM 1378 CA VAL A 83 -2.702 5.168 -5.200 1.00 0.00 C ATOM 1379 C VAL A 83 -2.681 6.661 -5.431 1.00 0.00 C ATOM 1380 O VAL A 83 -1.644 7.281 -5.708 1.00 0.00 O ATOM 1381 CB VAL A 83 -2.001 4.789 -3.834 1.00 0.00 C ATOM 1382 CG1 VAL A 83 -0.498 5.163 -3.705 1.00 0.00 C ATOM 1383 CG2 VAL A 83 -2.681 5.399 -2.585 1.00 0.00 C ATOM 0 H VAL A 83 -1.036 4.480 -6.279 1.00 0.00 H new ATOM 0 HA VAL A 83 -3.749 4.870 -5.155 1.00 0.00 H new ATOM 0 HB VAL A 83 -2.106 3.705 -3.867 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -0.129 4.854 -2.727 1.00 0.00 H new ATOM 0 HG12 VAL A 83 0.071 4.657 -4.484 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -0.381 6.241 -3.813 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -2.140 5.092 -1.690 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -2.671 6.486 -2.660 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.712 5.049 -2.524 1.00 0.00 H new ATOM 1393 N SER A 84 -3.851 7.270 -5.341 1.00 0.00 N ATOM 1394 CA SER A 84 -4.029 8.709 -5.511 1.00 0.00 C ATOM 1395 C SER A 84 -4.900 9.266 -4.410 1.00 0.00 C ATOM 1396 O SER A 84 -6.119 9.031 -4.364 1.00 0.00 O ATOM 1397 CB SER A 84 -4.603 9.029 -6.914 1.00 0.00 C ATOM 1398 OG SER A 84 -5.511 8.027 -7.385 1.00 0.00 O ATOM 0 H SER A 84 -4.720 6.774 -5.145 1.00 0.00 H new ATOM 0 HA SER A 84 -3.055 9.193 -5.440 1.00 0.00 H new ATOM 0 HB2 SER A 84 -5.116 9.990 -6.881 1.00 0.00 H new ATOM 0 HB3 SER A 84 -3.781 9.130 -7.623 1.00 0.00 H new ATOM 0 HG SER A 84 -5.641 8.131 -8.351 1.00 0.00 H new ATOM 1404 N ILE A 85 -4.290 9.994 -3.494 1.00 0.00 N ATOM 1405 CA ILE A 85 -4.991 10.462 -2.296 1.00 0.00 C ATOM 1406 C ILE A 85 -5.058 11.972 -2.292 1.00 0.00 C ATOM 1407 O ILE A 85 -3.997 12.649 -2.283 1.00 0.00 O ATOM 1408 CB ILE A 85 -4.341 9.853 -0.986 1.00 0.00 C ATOM 1409 CG1 ILE A 85 -3.667 8.448 -1.183 1.00 0.00 C ATOM 1410 CG2 ILE A 85 -5.352 9.761 0.201 1.00 0.00 C ATOM 1411 CD1 ILE A 85 -4.603 7.319 -1.658 1.00 0.00 C ATOM 0 H ILE A 85 -3.312 10.278 -3.549 1.00 0.00 H new ATOM 0 HA ILE A 85 -6.020 10.103 -2.310 1.00 0.00 H new ATOM 0 HB ILE A 85 -3.553 10.566 -0.745 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -2.857 8.552 -1.905 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -3.215 8.147 -0.238 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -4.853 9.337 1.072 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -5.720 10.758 0.443 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -6.190 9.124 -0.083 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -4.035 6.394 -1.761 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -5.400 7.176 -0.928 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -5.037 7.587 -2.621 1.00 0.00 H new ATOM 1423 N TYR A 86 -6.229 12.575 -2.291 1.00 0.00 N ATOM 1424 CA TYR A 86 -6.387 14.010 -2.542 1.00 0.00 C ATOM 1425 C TYR A 86 -6.829 14.776 -1.318 1.00 0.00 C ATOM 1426 O TYR A 86 -7.313 14.231 -0.317 1.00 0.00 O ATOM 1427 CB TYR A 86 -7.455 14.232 -3.659 1.00 0.00 C ATOM 1428 CG TYR A 86 -7.306 13.375 -4.921 1.00 0.00 C ATOM 1429 CD1 TYR A 86 -7.576 12.004 -4.866 1.00 0.00 C ATOM 1430 CD2 TYR A 86 -6.913 13.952 -6.131 1.00 0.00 C ATOM 1431 CE1 TYR A 86 -7.463 11.221 -6.012 1.00 0.00 C ATOM 1432 CE2 TYR A 86 -6.804 13.167 -7.277 1.00 0.00 C ATOM 1433 CZ TYR A 86 -7.079 11.804 -7.216 1.00 0.00 C ATOM 1434 OH TYR A 86 -6.966 11.037 -8.342 1.00 0.00 O ATOM 0 H TYR A 86 -7.108 12.089 -2.116 1.00 0.00 H new ATOM 0 HA TYR A 86 -5.407 14.382 -2.842 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -8.440 14.044 -3.232 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -7.430 15.281 -3.953 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -7.873 11.551 -3.932 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -6.693 15.008 -6.178 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -7.673 10.163 -5.967 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -6.506 13.616 -8.213 1.00 0.00 H new ATOM 0 HH TYR A 86 -6.690 11.600 -9.095 1.00 0.00 H new ATOM 1444 N ASP A 87 -6.649 16.091 -1.381 1.00 0.00 N ATOM 1445 CA ASP A 87 -7.124 17.003 -0.346 1.00 0.00 C ATOM 1446 C ASP A 87 -8.541 17.453 -0.620 1.00 0.00 C ATOM 1447 O ASP A 87 -9.249 16.942 -1.498 1.00 0.00 O ATOM 1448 CB ASP A 87 -6.162 18.215 -0.195 1.00 0.00 C ATOM 1449 CG ASP A 87 -6.109 19.227 -1.350 1.00 0.00 C ATOM 1450 OD1 ASP A 87 -5.784 18.663 -2.551 1.00 0.00 O ATOM 1451 OD2 ASP A 87 -6.312 20.428 -1.198 1.00 0.00 O ATOM 0 H ASP A 87 -6.169 16.555 -2.152 1.00 0.00 H new ATOM 0 HA ASP A 87 -7.132 16.463 0.601 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -6.439 18.753 0.711 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -5.155 17.828 -0.041 1.00 0.00 H new ATOM 1456 N THR A 88 -8.967 18.452 0.138 1.00 0.00 N ATOM 1457 CA THR A 88 -10.313 19.003 0.027 1.00 0.00 C ATOM 1458 C THR A 88 -10.539 19.642 -1.323 1.00 0.00 C ATOM 1459 O THR A 88 -11.674 19.684 -1.836 1.00 0.00 O ATOM 1460 CB THR A 88 -10.580 20.037 1.174 1.00 0.00 C ATOM 1461 OG1 THR A 88 -10.359 21.363 0.711 1.00 0.00 O ATOM 1462 CG2 THR A 88 -9.690 19.913 2.430 1.00 0.00 C ATOM 0 H THR A 88 -8.391 18.905 0.848 1.00 0.00 H new ATOM 0 HA THR A 88 -11.018 18.178 0.127 1.00 0.00 H new ATOM 0 HB THR A 88 -11.610 19.817 1.453 1.00 0.00 H new ATOM 0 HG1 THR A 88 -10.532 21.997 1.438 1.00 0.00 H new ATOM 0 HG21 THR A 88 -9.969 20.681 3.151 1.00 0.00 H new ATOM 0 HG22 THR A 88 -9.827 18.929 2.877 1.00 0.00 H new ATOM 0 HG23 THR A 88 -8.645 20.042 2.149 1.00 0.00 H new ATOM 1470 N LYS A 89 -9.491 20.171 -1.926 1.00 0.00 N ATOM 1471 CA LYS A 89 -9.625 20.933 -3.168 1.00 0.00 C ATOM 1472 C LYS A 89 -9.514 20.058 -4.396 1.00 0.00 C ATOM 1473 O LYS A 89 -9.321 20.573 -5.522 1.00 0.00 O ATOM 1474 CB LYS A 89 -8.544 22.051 -3.198 1.00 0.00 C ATOM 1475 CG LYS A 89 -8.704 23.103 -2.073 1.00 0.00 C ATOM 1476 CD LYS A 89 -7.416 23.837 -1.691 1.00 0.00 C ATOM 1477 CE LYS A 89 -6.743 24.371 -2.963 1.00 0.00 C ATOM 1478 NZ LYS A 89 -5.557 23.552 -3.271 1.00 0.00 N ATOM 0 H LYS A 89 -8.534 20.091 -1.581 1.00 0.00 H new ATOM 0 HA LYS A 89 -10.622 21.374 -3.188 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -7.558 21.593 -3.117 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -8.583 22.556 -4.163 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -9.445 23.838 -2.386 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -9.100 22.608 -1.186 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -7.640 24.659 -1.011 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -6.741 23.162 -1.164 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -7.444 24.344 -3.797 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -6.453 25.413 -2.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -4.898 24.103 -3.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -5.086 23.277 -2.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -5.849 22.698 -3.788 1.00 0.00 H new ATOM 1492 N GLY A 90 -9.645 18.752 -4.262 1.00 0.00 N ATOM 1493 CA GLY A 90 -9.631 17.852 -5.414 1.00 0.00 C ATOM 1494 C GLY A 90 -8.272 17.771 -6.066 1.00 0.00 C ATOM 1495 O GLY A 90 -8.145 17.284 -7.212 1.00 0.00 O ATOM 0 H GLY A 90 -9.763 18.283 -3.364 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -9.938 16.856 -5.097 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -10.362 18.193 -6.147 1.00 0.00 H new ATOM 1499 N LYS A 91 -7.225 18.204 -5.392 1.00 0.00 N ATOM 1500 CA LYS A 91 -5.864 18.081 -5.915 1.00 0.00 C ATOM 1501 C LYS A 91 -5.247 16.758 -5.531 1.00 0.00 C ATOM 1502 O LYS A 91 -5.447 16.250 -4.414 1.00 0.00 O ATOM 1503 CB LYS A 91 -4.997 19.258 -5.382 1.00 0.00 C ATOM 1504 CG LYS A 91 -4.477 20.195 -6.500 1.00 0.00 C ATOM 1505 CD LYS A 91 -4.267 21.655 -6.085 1.00 0.00 C ATOM 1506 CE LYS A 91 -5.414 22.509 -6.642 1.00 0.00 C ATOM 1507 NZ LYS A 91 -4.913 23.858 -6.960 1.00 0.00 N ATOM 0 H LYS A 91 -7.284 18.648 -4.475 1.00 0.00 H new ATOM 0 HA LYS A 91 -5.905 18.122 -7.003 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -5.586 19.841 -4.674 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -4.147 18.853 -4.833 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -3.531 19.800 -6.872 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -5.182 20.168 -7.331 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -4.233 21.735 -4.998 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -3.311 22.019 -6.462 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -5.827 22.043 -7.536 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -6.222 22.572 -5.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -5.690 24.437 -7.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -4.538 24.302 -6.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -4.156 23.789 -7.670 1.00 0.00 H new ATOM 1521 N ASN A 92 -4.466 16.181 -6.425 1.00 0.00 N ATOM 1522 CA ASN A 92 -3.701 14.976 -6.104 1.00 0.00 C ATOM 1523 C ASN A 92 -2.464 15.328 -5.310 1.00 0.00 C ATOM 1524 O ASN A 92 -1.363 15.513 -5.848 1.00 0.00 O ATOM 1525 CB ASN A 92 -3.331 14.220 -7.413 1.00 0.00 C ATOM 1526 CG ASN A 92 -2.355 14.903 -8.376 1.00 0.00 C ATOM 1527 OD1 ASN A 92 -2.637 15.931 -8.974 1.00 0.00 O ATOM 1528 ND2 ASN A 92 -1.182 14.362 -8.569 1.00 0.00 N ATOM 0 H ASN A 92 -4.340 16.521 -7.378 1.00 0.00 H new ATOM 0 HA ASN A 92 -4.315 14.319 -5.488 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -2.908 13.255 -7.135 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -4.254 14.019 -7.957 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -0.519 14.797 -9.210 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -0.929 13.504 -8.079 1.00 0.00 H new ATOM 1535 N VAL A 93 -2.632 15.452 -4.006 1.00 0.00 N ATOM 1536 CA VAL A 93 -1.546 15.881 -3.124 1.00 0.00 C ATOM 1537 C VAL A 93 -0.466 14.829 -2.979 1.00 0.00 C ATOM 1538 O VAL A 93 0.674 15.115 -2.588 1.00 0.00 O ATOM 1539 CB VAL A 93 -2.138 16.262 -1.709 1.00 0.00 C ATOM 1540 CG1 VAL A 93 -3.465 17.070 -1.710 1.00 0.00 C ATOM 1541 CG2 VAL A 93 -2.402 15.043 -0.791 1.00 0.00 C ATOM 0 H VAL A 93 -3.512 15.262 -3.526 1.00 0.00 H new ATOM 0 HA VAL A 93 -1.075 16.753 -3.577 1.00 0.00 H new ATOM 0 HB VAL A 93 -1.332 16.892 -1.333 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -3.770 17.270 -0.683 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -3.316 18.014 -2.235 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -4.242 16.494 -2.213 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -2.807 15.386 0.161 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -3.117 14.375 -1.270 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -1.468 14.510 -0.617 1.00 0.00 H new ATOM 1551 N LEU A 94 -0.808 13.600 -3.316 1.00 0.00 N ATOM 1552 CA LEU A 94 0.150 12.500 -3.352 1.00 0.00 C ATOM 1553 C LEU A 94 -0.272 11.451 -4.354 1.00 0.00 C ATOM 1554 O LEU A 94 -1.466 11.213 -4.590 1.00 0.00 O ATOM 1555 CB LEU A 94 0.324 11.883 -1.935 1.00 0.00 C ATOM 1556 CG LEU A 94 0.881 10.437 -1.829 1.00 0.00 C ATOM 1557 CD1 LEU A 94 1.718 10.217 -0.559 1.00 0.00 C ATOM 1558 CD2 LEU A 94 -0.271 9.424 -1.872 1.00 0.00 C ATOM 0 H LEU A 94 -1.758 13.331 -3.574 1.00 0.00 H new ATOM 0 HA LEU A 94 1.115 12.895 -3.671 1.00 0.00 H new ATOM 0 HB2 LEU A 94 0.984 12.537 -1.366 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -0.648 11.903 -1.441 1.00 0.00 H new ATOM 0 HG LEU A 94 1.542 10.288 -2.683 1.00 0.00 H new ATOM 0 HD11 LEU A 94 2.082 9.190 -0.537 1.00 0.00 H new ATOM 0 HD12 LEU A 94 2.566 10.902 -0.559 1.00 0.00 H new ATOM 0 HD13 LEU A 94 1.101 10.403 0.320 1.00 0.00 H new ATOM 0 HD21 LEU A 94 0.130 8.413 -1.797 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -0.949 9.608 -1.038 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -0.814 9.530 -2.811 1.00 0.00 H new ATOM 1570 N GLU A 95 0.705 10.820 -4.976 1.00 0.00 N ATOM 1571 CA GLU A 95 0.459 9.832 -6.023 1.00 0.00 C ATOM 1572 C GLU A 95 1.603 8.850 -6.111 1.00 0.00 C ATOM 1573 O GLU A 95 2.760 9.173 -5.786 1.00 0.00 O ATOM 1574 CB GLU A 95 0.256 10.582 -7.369 1.00 0.00 C ATOM 1575 CG GLU A 95 1.541 11.060 -8.124 1.00 0.00 C ATOM 1576 CD GLU A 95 1.476 11.216 -9.645 1.00 0.00 C ATOM 1577 OE1 GLU A 95 0.800 10.489 -10.361 1.00 0.00 O ATOM 1578 OE2 GLU A 95 2.239 12.237 -10.125 1.00 0.00 O ATOM 0 H GLU A 95 1.693 10.974 -4.774 1.00 0.00 H new ATOM 0 HA GLU A 95 -0.438 9.258 -5.789 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -0.305 9.929 -8.038 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -0.368 11.455 -7.178 1.00 0.00 H new ATOM 0 HG2 GLU A 95 1.834 12.022 -7.704 1.00 0.00 H new ATOM 0 HG3 GLU A 95 2.341 10.356 -7.896 1.00 0.00 H new ATOM 1585 N LYS A 96 1.324 7.640 -6.558 1.00 0.00 N ATOM 1586 CA LYS A 96 2.341 6.591 -6.617 1.00 0.00 C ATOM 1587 C LYS A 96 1.817 5.357 -7.315 1.00 0.00 C ATOM 1588 O LYS A 96 0.606 5.157 -7.489 1.00 0.00 O ATOM 1589 CB LYS A 96 2.818 6.258 -5.177 1.00 0.00 C ATOM 1590 CG LYS A 96 4.114 5.411 -5.125 1.00 0.00 C ATOM 1591 CD LYS A 96 5.338 6.057 -5.780 1.00 0.00 C ATOM 1592 CE LYS A 96 6.196 6.729 -4.700 1.00 0.00 C ATOM 1593 NZ LYS A 96 7.115 5.736 -4.114 1.00 0.00 N ATOM 0 H LYS A 96 0.402 7.353 -6.887 1.00 0.00 H new ATOM 0 HA LYS A 96 3.188 6.952 -7.200 1.00 0.00 H new ATOM 0 HB2 LYS A 96 2.982 7.189 -4.635 1.00 0.00 H new ATOM 0 HB3 LYS A 96 2.024 5.722 -4.657 1.00 0.00 H new ATOM 0 HG2 LYS A 96 4.349 5.198 -4.082 1.00 0.00 H new ATOM 0 HG3 LYS A 96 3.924 4.454 -5.611 1.00 0.00 H new ATOM 0 HD2 LYS A 96 5.922 5.303 -6.308 1.00 0.00 H new ATOM 0 HD3 LYS A 96 5.023 6.793 -6.520 1.00 0.00 H new ATOM 0 HE2 LYS A 96 6.762 7.554 -5.132 1.00 0.00 H new ATOM 0 HE3 LYS A 96 5.558 7.152 -3.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 8.077 6.130 -4.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 6.803 5.501 -3.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 7.114 4.875 -4.698 1.00 0.00 H new ATOM 1607 N ILE A 97 2.734 4.511 -7.746 1.00 0.00 N ATOM 1608 CA ILE A 97 2.415 3.333 -8.548 1.00 0.00 C ATOM 1609 C ILE A 97 2.725 2.067 -7.786 1.00 0.00 C ATOM 1610 O ILE A 97 3.723 1.986 -7.045 1.00 0.00 O ATOM 1611 CB ILE A 97 3.155 3.375 -9.948 1.00 0.00 C ATOM 1612 CG1 ILE A 97 3.243 4.795 -10.596 1.00 0.00 C ATOM 1613 CG2 ILE A 97 2.528 2.403 -10.994 1.00 0.00 C ATOM 1614 CD1 ILE A 97 4.041 4.886 -11.913 1.00 0.00 C ATOM 0 H ILE A 97 3.729 4.618 -7.551 1.00 0.00 H new ATOM 0 HA ILE A 97 1.344 3.339 -8.752 1.00 0.00 H new ATOM 0 HB ILE A 97 4.166 3.054 -9.697 1.00 0.00 H new ATOM 0 HG12 ILE A 97 2.230 5.152 -10.782 1.00 0.00 H new ATOM 0 HG13 ILE A 97 3.693 5.476 -9.873 1.00 0.00 H new ATOM 0 HG21 ILE A 97 3.077 2.476 -11.933 1.00 0.00 H new ATOM 0 HG22 ILE A 97 2.583 1.381 -10.620 1.00 0.00 H new ATOM 0 HG23 ILE A 97 1.485 2.672 -11.161 1.00 0.00 H new ATOM 0 HD11 ILE A 97 4.036 5.915 -12.271 1.00 0.00 H new ATOM 0 HD12 ILE A 97 5.069 4.568 -11.738 1.00 0.00 H new ATOM 0 HD13 ILE A 97 3.583 4.239 -12.661 1.00 0.00 H new ATOM 1626 N PHE A 98 1.880 1.061 -7.916 1.00 0.00 N ATOM 1627 CA PHE A 98 2.032 -0.172 -7.141 1.00 0.00 C ATOM 1628 C PHE A 98 1.809 -1.390 -8.004 1.00 0.00 C ATOM 1629 O PHE A 98 1.329 -1.296 -9.149 1.00 0.00 O ATOM 1630 CB PHE A 98 1.002 -0.176 -5.969 1.00 0.00 C ATOM 1631 CG PHE A 98 1.257 0.841 -4.844 1.00 0.00 C ATOM 1632 CD1 PHE A 98 1.269 2.207 -5.147 1.00 0.00 C ATOM 1633 CD2 PHE A 98 1.534 0.421 -3.542 1.00 0.00 C ATOM 1634 CE1 PHE A 98 1.524 3.144 -4.151 1.00 0.00 C ATOM 1635 CE2 PHE A 98 1.783 1.361 -2.544 1.00 0.00 C ATOM 1636 CZ PHE A 98 1.768 2.722 -2.847 1.00 0.00 C ATOM 0 H PHE A 98 1.080 1.066 -8.548 1.00 0.00 H new ATOM 0 HA PHE A 98 3.049 -0.208 -6.751 1.00 0.00 H new ATOM 0 HB2 PHE A 98 0.011 0.010 -6.382 1.00 0.00 H new ATOM 0 HB3 PHE A 98 0.983 -1.174 -5.532 1.00 0.00 H new ATOM 0 HD1 PHE A 98 1.080 2.535 -6.158 1.00 0.00 H new ATOM 0 HD2 PHE A 98 1.555 -0.633 -3.308 1.00 0.00 H new ATOM 0 HE1 PHE A 98 1.533 4.197 -4.389 1.00 0.00 H new ATOM 0 HE2 PHE A 98 1.988 1.035 -1.535 1.00 0.00 H new ATOM 0 HZ PHE A 98 1.946 3.450 -2.069 1.00 0.00 H new ATOM 1646 N ASP A 99 2.165 -2.557 -7.500 1.00 0.00 N ATOM 1647 CA ASP A 99 2.117 -3.782 -8.301 1.00 0.00 C ATOM 1648 C ASP A 99 2.129 -5.007 -7.419 1.00 0.00 C ATOM 1649 O ASP A 99 3.181 -5.588 -7.115 1.00 0.00 O ATOM 1650 CB ASP A 99 3.273 -3.807 -9.335 1.00 0.00 C ATOM 1651 CG ASP A 99 4.043 -2.496 -9.547 1.00 0.00 C ATOM 1652 OD1 ASP A 99 4.814 -2.034 -8.718 1.00 0.00 O ATOM 1653 OD2 ASP A 99 3.793 -1.925 -10.764 1.00 0.00 O ATOM 0 H ASP A 99 2.491 -2.690 -6.543 1.00 0.00 H new ATOM 0 HA ASP A 99 1.179 -3.793 -8.856 1.00 0.00 H new ATOM 0 HB2 ASP A 99 3.985 -4.573 -9.029 1.00 0.00 H new ATOM 0 HB3 ASP A 99 2.862 -4.119 -10.295 1.00 0.00 H new ATOM 1658 N LEU A 100 0.951 -5.426 -6.995 1.00 0.00 N ATOM 1659 CA LEU A 100 0.807 -6.675 -6.250 1.00 0.00 C ATOM 1660 C LEU A 100 1.197 -7.861 -7.097 1.00 0.00 C ATOM 1661 O LEU A 100 0.447 -8.324 -7.969 1.00 0.00 O ATOM 1662 CB LEU A 100 -0.645 -6.826 -5.716 1.00 0.00 C ATOM 1663 CG LEU A 100 -0.827 -7.448 -4.299 1.00 0.00 C ATOM 1664 CD1 LEU A 100 -0.141 -8.818 -4.173 1.00 0.00 C ATOM 1665 CD2 LEU A 100 -0.279 -6.483 -3.239 1.00 0.00 C ATOM 0 H LEU A 100 0.077 -4.924 -7.151 1.00 0.00 H new ATOM 0 HA LEU A 100 1.484 -6.641 -5.396 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -1.107 -5.839 -5.712 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -1.203 -7.436 -6.426 1.00 0.00 H new ATOM 0 HG LEU A 100 -1.894 -7.607 -4.140 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -0.296 -9.211 -3.168 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -0.568 -9.507 -4.902 1.00 0.00 H new ATOM 0 HD13 LEU A 100 0.927 -8.708 -4.359 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -0.407 -6.920 -2.249 1.00 0.00 H new ATOM 0 HD22 LEU A 100 0.780 -6.304 -3.423 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -0.821 -5.539 -3.292 1.00 0.00 H new ATOM 1677 N LYS A 101 2.384 -8.393 -6.838 1.00 0.00 N ATOM 1678 CA LYS A 101 2.845 -9.588 -7.539 1.00 0.00 C ATOM 1679 C LYS A 101 2.708 -10.835 -6.688 1.00 0.00 C ATOM 1680 O LYS A 101 2.596 -10.807 -5.456 1.00 0.00 O ATOM 1681 CB LYS A 101 4.332 -9.426 -7.977 1.00 0.00 C ATOM 1682 CG LYS A 101 4.671 -8.046 -8.591 1.00 0.00 C ATOM 1683 CD LYS A 101 4.881 -8.048 -10.107 1.00 0.00 C ATOM 1684 CE LYS A 101 3.665 -7.407 -10.790 1.00 0.00 C ATOM 1685 NZ LYS A 101 2.779 -8.465 -11.306 1.00 0.00 N ATOM 0 H LYS A 101 3.042 -8.021 -6.153 1.00 0.00 H new ATOM 0 HA LYS A 101 2.211 -9.703 -8.418 1.00 0.00 H new ATOM 0 HB2 LYS A 101 4.973 -9.592 -7.111 1.00 0.00 H new ATOM 0 HB3 LYS A 101 4.570 -10.202 -8.704 1.00 0.00 H new ATOM 0 HG2 LYS A 101 3.866 -7.351 -8.351 1.00 0.00 H new ATOM 0 HG3 LYS A 101 5.574 -7.665 -8.114 1.00 0.00 H new ATOM 0 HD2 LYS A 101 5.787 -7.497 -10.361 1.00 0.00 H new ATOM 0 HD3 LYS A 101 5.017 -9.068 -10.465 1.00 0.00 H new ATOM 0 HE2 LYS A 101 3.125 -6.779 -10.081 1.00 0.00 H new ATOM 0 HE3 LYS A 101 3.991 -6.761 -11.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 1.955 -8.032 -11.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 3.297 -9.047 -11.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 2.459 -9.064 -10.519 1.00 0.00 H new ATOM 1699 N ILE A 102 2.741 -11.969 -7.363 1.00 0.00 N ATOM 1700 CA ILE A 102 2.831 -13.280 -6.728 1.00 0.00 C ATOM 1701 C ILE A 102 3.979 -14.058 -7.330 1.00 0.00 C ATOM 1702 O ILE A 102 4.340 -13.848 -8.507 1.00 0.00 O ATOM 1703 CB ILE A 102 1.476 -14.094 -6.804 1.00 0.00 C ATOM 1704 CG1 ILE A 102 0.247 -13.372 -6.162 1.00 0.00 C ATOM 1705 CG2 ILE A 102 1.611 -15.518 -6.176 1.00 0.00 C ATOM 1706 CD1 ILE A 102 -0.247 -13.938 -4.813 1.00 0.00 C ATOM 0 H ILE A 102 2.706 -12.011 -8.382 1.00 0.00 H new ATOM 0 HA ILE A 102 3.022 -13.123 -5.666 1.00 0.00 H new ATOM 0 HB ILE A 102 1.282 -14.174 -7.874 1.00 0.00 H new ATOM 0 HG12 ILE A 102 0.502 -12.322 -6.020 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -0.580 -13.406 -6.871 1.00 0.00 H new ATOM 0 HG21 ILE A 102 0.657 -16.040 -6.250 1.00 0.00 H new ATOM 0 HG22 ILE A 102 2.376 -16.081 -6.711 1.00 0.00 H new ATOM 0 HG23 ILE A 102 1.894 -15.428 -5.127 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -1.102 -13.358 -4.466 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -0.543 -14.979 -4.942 1.00 0.00 H new ATOM 0 HD13 ILE A 102 0.555 -13.878 -4.077 1.00 0.00 H new ATOM 1718 N GLN A 103 4.556 -14.980 -6.585 1.00 0.00 N ATOM 1719 CA GLN A 103 5.778 -15.652 -7.029 1.00 0.00 C ATOM 1720 C GLN A 103 5.797 -17.108 -6.623 1.00 0.00 C ATOM 1721 O GLN A 103 5.320 -17.511 -5.554 1.00 0.00 O ATOM 1722 CB GLN A 103 6.990 -14.885 -6.459 1.00 0.00 C ATOM 1723 CG GLN A 103 8.331 -15.680 -6.328 1.00 0.00 C ATOM 1724 CD GLN A 103 9.585 -14.948 -5.833 1.00 0.00 C ATOM 1725 OE1 GLN A 103 10.091 -15.219 -4.756 1.00 0.00 O ATOM 1726 NE2 GLN A 103 10.115 -13.997 -6.559 1.00 0.00 N ATOM 0 H GLN A 103 4.208 -15.285 -5.676 1.00 0.00 H new ATOM 0 HA GLN A 103 5.821 -15.644 -8.118 1.00 0.00 H new ATOM 0 HB2 GLN A 103 7.171 -14.017 -7.092 1.00 0.00 H new ATOM 0 HB3 GLN A 103 6.720 -14.509 -5.472 1.00 0.00 H new ATOM 0 HG2 GLN A 103 8.152 -16.518 -5.655 1.00 0.00 H new ATOM 0 HG3 GLN A 103 8.561 -16.101 -7.307 1.00 0.00 H new ATOM 0 HE21 GLN A 103 9.706 -13.757 -7.462 1.00 0.00 H new ATOM 0 HE22 GLN A 103 10.937 -13.496 -6.222 1.00 0.00 H new