USER MOD reduce.3.24.130724 H: found=0, std=0, add=782, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 783 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 Single : A 10 GLN : amide:sc= -0.0104 X(o=-0.01,f=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 150:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 ASN : amide:sc= -0.555! C(o=-0.55!,f=-5.1!) USER MOD Single : A 46 CYS SG : rot 74:sc= -1.9 USER MOD Single : A 47 LYS NZ :NH3+ -152:sc= -0.0156 (180deg=-0.16) USER MOD Single : A 50 ASN : amide:sc= -1.5 K(o=-1.5,f=-6.3!) USER MOD Single : A 53 MET CE :methyl 162:sc= -0.0005 (180deg=-0.0613) USER MOD Single : A 56 SER OG : rot 132:sc= -0.249 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 CYS SG : rot 130:sc= -1.9 USER MOD Single : A 65 GLN : amide:sc= -0.0168 K(o=-0.017,f=-1.3) USER MOD Single : A 66 THR OG1 : rot -49:sc= 1.16 USER MOD Single : A 70 CYS SG : rot 180:sc= -0.825 USER MOD Single : A 72 ASN : amide:sc= -0.0674 K(o=-0.067,f=-1.6!) USER MOD Single : A 73 ASN : amide:sc= -0.0698 K(o=-0.07,f=-11!) USER MOD Single : A 75 ASN : amide:sc= 0.551 K(o=0.55,f=0) USER MOD Single : A 79 LYS NZ :NH3+ -103:sc= -0.472 (180deg=-1.71!) USER MOD Single : A 81 CYS SG : rot -53:sc= -2.62 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= -0.0806 K(o=-0.081,f=-0.94) USER MOD Single : A 95 TYR OH : rot -175:sc= -0.524 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= -0.793 K(o=-0.79,f=-4.1!) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 179:sc= 0.733 (180deg=0.733) USER MOD Single : A 105 SER OG : rot 79:sc= 0.773 USER MOD Single : A 106 THR OG1 : rot 80:sc= -0.161 USER MOD Single : A 111 ASN : amide:sc= -0.12 X(o=-0.12,f=0) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 THR OG1 : rot 2:sc= 1.18 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -11.806 -1.942 -5.914 1.00 0.00 N ATOM 60 CA GLY A 7 -10.765 -2.298 -4.968 1.00 0.00 C ATOM 61 C GLY A 7 -10.206 -1.091 -4.240 1.00 0.00 C ATOM 62 O GLY A 7 -9.875 -1.171 -3.058 1.00 0.00 O ATOM 0 HA2 GLY A 7 -11.165 -3.004 -4.240 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -9.958 -2.807 -5.495 1.00 0.00 H new ATOM 66 N GLU A 8 -10.099 0.029 -4.949 1.00 0.00 N ATOM 67 CA GLU A 8 -9.573 1.256 -4.362 1.00 0.00 C ATOM 68 C GLU A 8 -10.121 1.463 -2.953 1.00 0.00 C ATOM 69 O GLU A 8 -9.366 1.494 -1.981 1.00 0.00 O ATOM 70 CB GLU A 8 -9.925 2.458 -5.240 1.00 0.00 C ATOM 71 CG GLU A 8 -9.374 2.363 -6.653 1.00 0.00 C ATOM 72 CD GLU A 8 -10.296 1.605 -7.588 1.00 0.00 C ATOM 73 OE1 GLU A 8 -11.513 1.561 -7.314 1.00 0.00 O ATOM 74 OE2 GLU A 8 -9.800 1.055 -8.593 1.00 0.00 O ATOM 0 H GLU A 8 -10.369 0.112 -5.929 1.00 0.00 H new ATOM 0 HA GLU A 8 -8.489 1.165 -4.301 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -11.009 2.557 -5.288 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -9.543 3.364 -4.770 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -9.212 3.367 -7.044 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -8.402 1.870 -6.628 1.00 0.00 H new ATOM 81 N GLU A 9 -11.439 1.605 -2.851 1.00 0.00 N ATOM 82 CA GLU A 9 -12.087 1.811 -1.562 1.00 0.00 C ATOM 83 C GLU A 9 -11.733 0.689 -0.589 1.00 0.00 C ATOM 84 O GLU A 9 -11.361 0.941 0.556 1.00 0.00 O ATOM 85 CB GLU A 9 -13.605 1.890 -1.736 1.00 0.00 C ATOM 86 CG GLU A 9 -14.330 2.441 -0.519 1.00 0.00 C ATOM 87 CD GLU A 9 -14.085 3.924 -0.317 1.00 0.00 C ATOM 88 OE1 GLU A 9 -14.178 4.682 -1.305 1.00 0.00 O ATOM 89 OE2 GLU A 9 -13.799 4.326 0.831 1.00 0.00 O ATOM 0 H GLU A 9 -12.078 1.581 -3.646 1.00 0.00 H new ATOM 0 HA GLU A 9 -11.726 2.753 -1.150 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -13.831 2.518 -2.598 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -13.989 0.894 -1.957 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -15.400 2.265 -0.627 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -14.006 1.899 0.369 1.00 0.00 H new ATOM 96 N GLN A 10 -11.854 -0.550 -1.056 1.00 0.00 N ATOM 97 CA GLN A 10 -11.549 -1.711 -0.227 1.00 0.00 C ATOM 98 C GLN A 10 -10.197 -1.548 0.460 1.00 0.00 C ATOM 99 O GLN A 10 -10.054 -1.842 1.647 1.00 0.00 O ATOM 100 CB GLN A 10 -11.554 -2.984 -1.075 1.00 0.00 C ATOM 101 CG GLN A 10 -12.948 -3.513 -1.370 1.00 0.00 C ATOM 102 CD GLN A 10 -13.445 -4.473 -0.307 1.00 0.00 C ATOM 103 OE1 GLN A 10 -14.363 -4.158 0.451 1.00 0.00 O ATOM 104 NE2 GLN A 10 -12.839 -5.653 -0.245 1.00 0.00 N ATOM 0 H GLN A 10 -12.161 -0.776 -2.002 1.00 0.00 H new ATOM 0 HA GLN A 10 -12.319 -1.791 0.541 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -11.043 -2.785 -2.017 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -10.983 -3.756 -0.560 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -13.641 -2.675 -1.450 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -12.944 -4.017 -2.336 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -12.082 -5.872 -0.893 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -13.130 -6.340 0.451 1.00 0.00 H new ATOM 113 N ILE A 11 -9.208 -1.079 -0.294 1.00 0.00 N ATOM 114 CA ILE A 11 -7.868 -0.878 0.243 1.00 0.00 C ATOM 115 C ILE A 11 -7.840 0.288 1.226 1.00 0.00 C ATOM 116 O ILE A 11 -7.276 0.182 2.315 1.00 0.00 O ATOM 117 CB ILE A 11 -6.846 -0.614 -0.879 1.00 0.00 C ATOM 118 CG1 ILE A 11 -6.857 -1.763 -1.889 1.00 0.00 C ATOM 119 CG2 ILE A 11 -5.454 -0.430 -0.294 1.00 0.00 C ATOM 120 CD1 ILE A 11 -6.456 -3.094 -1.295 1.00 0.00 C ATOM 0 H ILE A 11 -9.310 -0.831 -1.278 1.00 0.00 H new ATOM 0 HA ILE A 11 -7.595 -1.796 0.763 1.00 0.00 H new ATOM 0 HB ILE A 11 -7.126 0.303 -1.397 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -7.856 -1.851 -2.316 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -6.180 -1.522 -2.709 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -4.743 -0.244 -1.099 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -5.456 0.418 0.391 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -5.164 -1.332 0.246 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -6.487 -3.862 -2.068 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -5.445 -3.023 -0.893 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -7.147 -3.358 -0.494 1.00 0.00 H new ATOM 132 N VAL A 12 -8.453 1.400 0.834 1.00 0.00 N ATOM 133 CA VAL A 12 -8.501 2.586 1.682 1.00 0.00 C ATOM 134 C VAL A 12 -8.964 2.235 3.091 1.00 0.00 C ATOM 135 O VAL A 12 -8.263 2.494 4.070 1.00 0.00 O ATOM 136 CB VAL A 12 -9.440 3.657 1.096 1.00 0.00 C ATOM 137 CG1 VAL A 12 -9.565 4.836 2.048 1.00 0.00 C ATOM 138 CG2 VAL A 12 -8.943 4.112 -0.268 1.00 0.00 C ATOM 0 H VAL A 12 -8.923 1.505 -0.065 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.488 2.986 1.725 1.00 0.00 H new ATOM 0 HB VAL A 12 -10.429 3.218 0.969 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -10.232 5.582 1.617 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -9.970 4.493 3.000 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -8.582 5.278 2.210 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -9.618 4.869 -0.667 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -7.943 4.534 -0.169 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -8.911 3.260 -0.947 1.00 0.00 H new ATOM 148 N THR A 13 -10.151 1.644 3.188 1.00 0.00 N ATOM 149 CA THR A 13 -10.709 1.258 4.478 1.00 0.00 C ATOM 150 C THR A 13 -9.844 0.204 5.159 1.00 0.00 C ATOM 151 O THR A 13 -9.688 0.209 6.380 1.00 0.00 O ATOM 152 CB THR A 13 -12.142 0.711 4.329 1.00 0.00 C ATOM 153 OG1 THR A 13 -12.967 1.675 3.664 1.00 0.00 O ATOM 154 CG2 THR A 13 -12.738 0.378 5.689 1.00 0.00 C ATOM 0 H THR A 13 -10.744 1.422 2.388 1.00 0.00 H new ATOM 0 HA THR A 13 -10.733 2.157 5.093 1.00 0.00 H new ATOM 0 HB THR A 13 -12.099 -0.202 3.735 1.00 0.00 H new ATOM 0 HG1 THR A 13 -13.876 1.320 3.571 1.00 0.00 H new ATOM 0 HG21 THR A 13 -13.750 -0.006 5.559 1.00 0.00 H new ATOM 0 HG22 THR A 13 -12.124 -0.376 6.181 1.00 0.00 H new ATOM 0 HG23 THR A 13 -12.768 1.278 6.303 1.00 0.00 H new ATOM 162 N TRP A 14 -9.283 -0.699 4.362 1.00 0.00 N ATOM 163 CA TRP A 14 -8.432 -1.760 4.888 1.00 0.00 C ATOM 164 C TRP A 14 -7.235 -1.178 5.632 1.00 0.00 C ATOM 165 O TRP A 14 -7.085 -1.375 6.839 1.00 0.00 O ATOM 166 CB TRP A 14 -7.952 -2.667 3.754 1.00 0.00 C ATOM 167 CG TRP A 14 -6.968 -3.706 4.201 1.00 0.00 C ATOM 168 CD1 TRP A 14 -7.036 -4.466 5.333 1.00 0.00 C ATOM 169 CD2 TRP A 14 -5.768 -4.097 3.524 1.00 0.00 C ATOM 170 NE1 TRP A 14 -5.950 -5.306 5.401 1.00 0.00 N ATOM 171 CE2 TRP A 14 -5.158 -5.099 4.303 1.00 0.00 C ATOM 172 CE3 TRP A 14 -5.151 -3.699 2.335 1.00 0.00 C ATOM 173 CZ2 TRP A 14 -3.962 -5.706 3.930 1.00 0.00 C ATOM 174 CZ3 TRP A 14 -3.963 -4.302 1.967 1.00 0.00 C ATOM 175 CH2 TRP A 14 -3.380 -5.297 2.762 1.00 0.00 C ATOM 0 H TRP A 14 -9.402 -0.717 3.349 1.00 0.00 H new ATOM 0 HA TRP A 14 -9.021 -2.350 5.590 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -8.813 -3.162 3.305 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -7.495 -2.054 2.977 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -7.827 -4.415 6.067 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -5.764 -5.975 6.148 1.00 0.00 H new ATOM 0 HE3 TRP A 14 -5.594 -2.934 1.715 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -3.510 -6.473 4.541 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 -3.476 -4.001 1.051 1.00 0.00 H new ATOM 0 HH2 TRP A 14 -2.452 -5.750 2.446 1.00 0.00 H new ATOM 186 N LEU A 15 -6.384 -0.461 4.906 1.00 0.00 N ATOM 187 CA LEU A 15 -5.199 0.150 5.498 1.00 0.00 C ATOM 188 C LEU A 15 -5.545 0.853 6.807 1.00 0.00 C ATOM 189 O LEU A 15 -5.073 0.464 7.876 1.00 0.00 O ATOM 190 CB LEU A 15 -4.573 1.146 4.521 1.00 0.00 C ATOM 191 CG LEU A 15 -4.154 0.582 3.163 1.00 0.00 C ATOM 192 CD1 LEU A 15 -3.887 1.707 2.176 1.00 0.00 C ATOM 193 CD2 LEU A 15 -2.925 -0.304 3.310 1.00 0.00 C ATOM 0 H LEU A 15 -6.493 -0.289 3.907 1.00 0.00 H new ATOM 0 HA LEU A 15 -4.480 -0.641 5.711 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -5.284 1.954 4.352 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -3.696 1.587 4.995 1.00 0.00 H new ATOM 0 HG LEU A 15 -4.972 -0.026 2.776 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.590 1.286 1.216 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -4.792 2.301 2.048 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.087 2.342 2.556 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.641 -0.697 2.334 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.102 0.281 3.719 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.151 -1.132 3.982 1.00 0.00 H new ATOM 205 N ILE A 16 -6.374 1.888 6.716 1.00 0.00 N ATOM 206 CA ILE A 16 -6.785 2.643 7.893 1.00 0.00 C ATOM 207 C ILE A 16 -7.235 1.711 9.013 1.00 0.00 C ATOM 208 O ILE A 16 -6.726 1.779 10.132 1.00 0.00 O ATOM 209 CB ILE A 16 -7.929 3.620 7.563 1.00 0.00 C ATOM 210 CG1 ILE A 16 -7.484 4.617 6.491 1.00 0.00 C ATOM 211 CG2 ILE A 16 -8.379 4.351 8.819 1.00 0.00 C ATOM 212 CD1 ILE A 16 -8.634 5.328 5.812 1.00 0.00 C ATOM 0 H ILE A 16 -6.774 2.223 5.839 1.00 0.00 H new ATOM 0 HA ILE A 16 -5.916 3.212 8.223 1.00 0.00 H new ATOM 0 HB ILE A 16 -8.773 3.050 7.175 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -6.827 5.358 6.946 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -6.897 4.091 5.738 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -9.188 5.038 8.570 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -8.731 3.628 9.555 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -7.541 4.912 9.233 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -8.244 6.019 5.064 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -9.280 4.595 5.327 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -9.208 5.883 6.554 1.00 0.00 H new ATOM 224 N SER A 17 -8.191 0.841 8.704 1.00 0.00 N ATOM 225 CA SER A 17 -8.711 -0.104 9.686 1.00 0.00 C ATOM 226 C SER A 17 -7.580 -0.698 10.520 1.00 0.00 C ATOM 227 O SER A 17 -7.685 -0.805 11.743 1.00 0.00 O ATOM 228 CB SER A 17 -9.487 -1.222 8.987 1.00 0.00 C ATOM 229 OG SER A 17 -10.034 -2.128 9.929 1.00 0.00 O ATOM 0 H SER A 17 -8.621 0.771 7.782 1.00 0.00 H new ATOM 0 HA SER A 17 -9.385 0.435 10.352 1.00 0.00 H new ATOM 0 HB2 SER A 17 -10.287 -0.792 8.384 1.00 0.00 H new ATOM 0 HB3 SER A 17 -8.826 -1.757 8.305 1.00 0.00 H new ATOM 0 HG SER A 17 -10.526 -2.832 9.458 1.00 0.00 H new ATOM 235 N LEU A 18 -6.500 -1.084 9.851 1.00 0.00 N ATOM 236 CA LEU A 18 -5.347 -1.668 10.529 1.00 0.00 C ATOM 237 C LEU A 18 -4.633 -0.626 11.384 1.00 0.00 C ATOM 238 O LEU A 18 -4.237 -0.902 12.515 1.00 0.00 O ATOM 239 CB LEU A 18 -4.375 -2.259 9.507 1.00 0.00 C ATOM 240 CG LEU A 18 -4.771 -3.609 8.906 1.00 0.00 C ATOM 241 CD1 LEU A 18 -3.916 -3.923 7.689 1.00 0.00 C ATOM 242 CD2 LEU A 18 -4.646 -4.712 9.947 1.00 0.00 C ATOM 0 H LEU A 18 -6.398 -1.003 8.839 1.00 0.00 H new ATOM 0 HA LEU A 18 -5.705 -2.464 11.182 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -4.255 -1.543 8.694 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.400 -2.368 9.983 1.00 0.00 H new ATOM 0 HG LEU A 18 -5.812 -3.553 8.588 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.212 -4.887 7.275 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -4.055 -3.147 6.936 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.867 -3.961 7.981 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -4.932 -5.666 9.503 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.615 -4.768 10.295 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -5.302 -4.493 10.789 1.00 0.00 H new ATOM 254 N GLY A 19 -4.473 0.575 10.834 1.00 0.00 N ATOM 255 CA GLY A 19 -3.809 1.640 11.561 1.00 0.00 C ATOM 256 C GLY A 19 -2.495 2.045 10.924 1.00 0.00 C ATOM 257 O GLY A 19 -1.510 2.295 11.619 1.00 0.00 O ATOM 0 H GLY A 19 -4.792 0.828 9.899 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -4.468 2.507 11.611 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -3.628 1.318 12.586 1.00 0.00 H new ATOM 261 N VAL A 20 -2.478 2.109 9.596 1.00 0.00 N ATOM 262 CA VAL A 20 -1.274 2.486 8.864 1.00 0.00 C ATOM 263 C VAL A 20 -1.535 3.684 7.958 1.00 0.00 C ATOM 264 O VAL A 20 -0.618 4.438 7.629 1.00 0.00 O ATOM 265 CB VAL A 20 -0.747 1.316 8.011 1.00 0.00 C ATOM 266 CG1 VAL A 20 -0.248 0.188 8.902 1.00 0.00 C ATOM 267 CG2 VAL A 20 -1.827 0.820 7.062 1.00 0.00 C ATOM 0 H VAL A 20 -3.284 1.905 9.005 1.00 0.00 H new ATOM 0 HA VAL A 20 -0.522 2.753 9.606 1.00 0.00 H new ATOM 0 HB VAL A 20 0.092 1.673 7.414 1.00 0.00 H new ATOM 0 HG11 VAL A 20 0.120 -0.629 8.282 1.00 0.00 H new ATOM 0 HG12 VAL A 20 0.559 0.555 9.536 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -1.066 -0.171 9.527 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.437 -0.006 6.467 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -2.688 0.479 7.637 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.131 1.631 6.401 1.00 0.00 H new ATOM 277 N LEU A 21 -2.790 3.854 7.558 1.00 0.00 N ATOM 278 CA LEU A 21 -3.173 4.962 6.690 1.00 0.00 C ATOM 279 C LEU A 21 -4.029 5.975 7.444 1.00 0.00 C ATOM 280 O LEU A 21 -4.848 5.605 8.284 1.00 0.00 O ATOM 281 CB LEU A 21 -3.935 4.441 5.470 1.00 0.00 C ATOM 282 CG LEU A 21 -4.336 5.488 4.431 1.00 0.00 C ATOM 283 CD1 LEU A 21 -3.117 5.968 3.659 1.00 0.00 C ATOM 284 CD2 LEU A 21 -5.383 4.924 3.482 1.00 0.00 C ATOM 0 H LEU A 21 -3.560 3.239 7.821 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.263 5.460 6.357 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.321 3.687 4.978 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.838 3.939 5.818 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.770 6.342 4.952 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -3.422 6.713 2.924 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.400 6.412 4.350 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -2.654 5.123 3.149 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -5.657 5.683 2.749 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.977 4.053 2.968 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -6.267 4.631 4.048 1.00 0.00 H new ATOM 296 N GLU A 22 -3.833 7.253 7.136 1.00 0.00 N ATOM 297 CA GLU A 22 -4.589 8.318 7.785 1.00 0.00 C ATOM 298 C GLU A 22 -6.082 8.177 7.500 1.00 0.00 C ATOM 299 O GLU A 22 -6.480 7.694 6.441 1.00 0.00 O ATOM 300 CB GLU A 22 -4.096 9.687 7.309 1.00 0.00 C ATOM 301 CG GLU A 22 -2.954 10.245 8.142 1.00 0.00 C ATOM 302 CD GLU A 22 -2.090 11.221 7.368 1.00 0.00 C ATOM 303 OE1 GLU A 22 -2.054 11.125 6.124 1.00 0.00 O ATOM 304 OE2 GLU A 22 -1.450 12.082 8.008 1.00 0.00 O ATOM 0 H GLU A 22 -3.158 7.576 6.442 1.00 0.00 H new ATOM 0 HA GLU A 22 -4.432 8.236 8.861 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -3.772 9.607 6.271 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -4.928 10.391 7.330 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -3.361 10.744 9.021 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.335 9.423 8.500 1.00 0.00 H new ATOM 436 N PRO A 31 -10.795 8.321 -4.857 1.00 0.00 N ATOM 437 CA PRO A 31 -9.823 7.543 -4.084 1.00 0.00 C ATOM 438 C PRO A 31 -8.582 7.194 -4.897 1.00 0.00 C ATOM 439 O PRO A 31 -7.482 7.093 -4.355 1.00 0.00 O ATOM 440 CB PRO A 31 -10.597 6.274 -3.717 1.00 0.00 C ATOM 441 CG PRO A 31 -11.635 6.143 -4.778 1.00 0.00 C ATOM 442 CD PRO A 31 -12.009 7.547 -5.165 1.00 0.00 C ATOM 0 HA PRO A 31 -9.451 8.096 -3.222 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -9.942 5.403 -3.695 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -11.049 6.358 -2.729 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -11.250 5.591 -5.635 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -12.503 5.595 -4.410 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -12.273 7.616 -6.220 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -12.868 7.905 -4.598 1.00 0.00 H new ATOM 450 N GLU A 32 -8.766 7.011 -6.201 1.00 0.00 N ATOM 451 CA GLU A 32 -7.659 6.673 -7.088 1.00 0.00 C ATOM 452 C GLU A 32 -6.469 7.598 -6.850 1.00 0.00 C ATOM 453 O GLU A 32 -5.324 7.151 -6.789 1.00 0.00 O ATOM 454 CB GLU A 32 -8.103 6.760 -8.550 1.00 0.00 C ATOM 455 CG GLU A 32 -7.089 6.190 -9.528 1.00 0.00 C ATOM 456 CD GLU A 32 -7.649 6.047 -10.930 1.00 0.00 C ATOM 457 OE1 GLU A 32 -8.708 5.403 -11.083 1.00 0.00 O ATOM 458 OE2 GLU A 32 -7.028 6.578 -11.875 1.00 0.00 O ATOM 0 H GLU A 32 -9.670 7.091 -6.666 1.00 0.00 H new ATOM 0 HA GLU A 32 -7.351 5.650 -6.870 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -9.047 6.228 -8.667 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -8.292 7.803 -8.802 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -6.212 6.837 -9.555 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -6.755 5.215 -9.173 1.00 0.00 H new ATOM 465 N GLU A 33 -6.749 8.891 -6.718 1.00 0.00 N ATOM 466 CA GLU A 33 -5.702 9.880 -6.489 1.00 0.00 C ATOM 467 C GLU A 33 -5.228 9.844 -5.039 1.00 0.00 C ATOM 468 O GLU A 33 -4.028 9.809 -4.767 1.00 0.00 O ATOM 469 CB GLU A 33 -6.208 11.281 -6.837 1.00 0.00 C ATOM 470 CG GLU A 33 -6.135 11.604 -8.320 1.00 0.00 C ATOM 471 CD GLU A 33 -4.743 12.015 -8.759 1.00 0.00 C ATOM 472 OE1 GLU A 33 -3.959 12.466 -7.898 1.00 0.00 O ATOM 473 OE2 GLU A 33 -4.438 11.886 -9.963 1.00 0.00 O ATOM 0 H GLU A 33 -7.692 9.278 -6.766 1.00 0.00 H new ATOM 0 HA GLU A 33 -4.859 9.635 -7.135 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -7.241 11.378 -6.503 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -5.624 12.017 -6.284 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -6.451 10.733 -8.894 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -6.836 12.407 -8.548 1.00 0.00 H new ATOM 480 N PHE A 34 -6.179 9.853 -4.111 1.00 0.00 N ATOM 481 CA PHE A 34 -5.860 9.823 -2.688 1.00 0.00 C ATOM 482 C PHE A 34 -4.858 8.715 -2.379 1.00 0.00 C ATOM 483 O PHE A 34 -3.837 8.949 -1.730 1.00 0.00 O ATOM 484 CB PHE A 34 -7.132 9.620 -1.863 1.00 0.00 C ATOM 485 CG PHE A 34 -6.867 9.339 -0.411 1.00 0.00 C ATOM 486 CD1 PHE A 34 -6.088 10.201 0.343 1.00 0.00 C ATOM 487 CD2 PHE A 34 -7.396 8.213 0.198 1.00 0.00 C ATOM 488 CE1 PHE A 34 -5.841 9.945 1.679 1.00 0.00 C ATOM 489 CE2 PHE A 34 -7.153 7.952 1.534 1.00 0.00 C ATOM 490 CZ PHE A 34 -6.376 8.819 2.275 1.00 0.00 C ATOM 0 H PHE A 34 -7.177 9.881 -4.319 1.00 0.00 H new ATOM 0 HA PHE A 34 -5.411 10.780 -2.421 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -7.754 10.511 -1.945 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -7.702 8.793 -2.287 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -5.669 11.083 -0.118 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -8.005 7.531 -0.377 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -5.231 10.624 2.256 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -7.571 7.070 1.997 1.00 0.00 H new ATOM 0 HZ PHE A 34 -6.186 8.618 3.319 1.00 0.00 H new ATOM 500 N LEU A 35 -5.156 7.508 -2.847 1.00 0.00 N ATOM 501 CA LEU A 35 -4.282 6.362 -2.621 1.00 0.00 C ATOM 502 C LEU A 35 -2.935 6.561 -3.308 1.00 0.00 C ATOM 503 O LEU A 35 -1.891 6.588 -2.656 1.00 0.00 O ATOM 504 CB LEU A 35 -4.944 5.082 -3.133 1.00 0.00 C ATOM 505 CG LEU A 35 -5.966 4.434 -2.197 1.00 0.00 C ATOM 506 CD1 LEU A 35 -6.949 3.584 -2.987 1.00 0.00 C ATOM 507 CD2 LEU A 35 -5.264 3.597 -1.139 1.00 0.00 C ATOM 0 H LEU A 35 -5.996 7.297 -3.385 1.00 0.00 H new ATOM 0 HA LEU A 35 -4.112 6.272 -1.548 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -5.438 5.305 -4.079 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -4.162 4.353 -3.346 1.00 0.00 H new ATOM 0 HG LEU A 35 -6.523 5.225 -1.695 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -7.668 3.131 -2.305 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -7.476 4.211 -3.706 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -6.408 2.800 -3.517 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -6.006 3.144 -0.482 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.681 2.813 -1.623 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -4.601 4.233 -0.553 1.00 0.00 H new ATOM 519 N LYS A 36 -2.965 6.703 -4.629 1.00 0.00 N ATOM 520 CA LYS A 36 -1.747 6.903 -5.405 1.00 0.00 C ATOM 521 C LYS A 36 -0.823 7.905 -4.720 1.00 0.00 C ATOM 522 O LYS A 36 0.382 7.679 -4.613 1.00 0.00 O ATOM 523 CB LYS A 36 -2.091 7.392 -6.814 1.00 0.00 C ATOM 524 CG LYS A 36 -2.764 6.338 -7.676 1.00 0.00 C ATOM 525 CD LYS A 36 -3.380 6.948 -8.924 1.00 0.00 C ATOM 526 CE LYS A 36 -2.360 7.077 -10.044 1.00 0.00 C ATOM 527 NZ LYS A 36 -2.940 7.730 -11.250 1.00 0.00 N ATOM 0 H LYS A 36 -3.820 6.683 -5.185 1.00 0.00 H new ATOM 0 HA LYS A 36 -1.229 5.946 -5.474 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -2.746 8.260 -6.738 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -1.178 7.724 -7.307 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.034 5.581 -7.962 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -3.537 5.833 -7.097 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -4.213 6.330 -9.259 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -3.787 7.931 -8.687 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -1.506 7.656 -9.693 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -1.986 6.088 -10.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -2.213 7.799 -11.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -3.739 7.164 -11.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -3.274 8.683 -11.002 1.00 0.00 H new ATOM 541 N SER A 37 -1.397 9.010 -4.255 1.00 0.00 N ATOM 542 CA SER A 37 -0.624 10.047 -3.581 1.00 0.00 C ATOM 543 C SER A 37 0.058 9.493 -2.334 1.00 0.00 C ATOM 544 O SER A 37 1.181 9.875 -2.005 1.00 0.00 O ATOM 545 CB SER A 37 -1.528 11.222 -3.203 1.00 0.00 C ATOM 546 OG SER A 37 -0.784 12.262 -2.592 1.00 0.00 O ATOM 0 H SER A 37 -2.394 9.210 -4.333 1.00 0.00 H new ATOM 0 HA SER A 37 0.146 10.397 -4.269 1.00 0.00 H new ATOM 0 HB2 SER A 37 -2.027 11.603 -4.094 1.00 0.00 H new ATOM 0 HB3 SER A 37 -2.308 10.881 -2.523 1.00 0.00 H new ATOM 0 HG SER A 37 -1.384 13.002 -2.361 1.00 0.00 H new ATOM 552 N SER A 38 -0.631 8.589 -1.643 1.00 0.00 N ATOM 553 CA SER A 38 -0.095 7.984 -0.430 1.00 0.00 C ATOM 554 C SER A 38 0.941 6.915 -0.767 1.00 0.00 C ATOM 555 O SER A 38 2.099 7.004 -0.356 1.00 0.00 O ATOM 556 CB SER A 38 -1.224 7.372 0.402 1.00 0.00 C ATOM 557 OG SER A 38 -1.783 8.329 1.285 1.00 0.00 O ATOM 0 H SER A 38 -1.561 8.260 -1.903 1.00 0.00 H new ATOM 0 HA SER A 38 0.392 8.767 0.152 1.00 0.00 H new ATOM 0 HB2 SER A 38 -2.000 6.986 -0.260 1.00 0.00 H new ATOM 0 HB3 SER A 38 -0.842 6.526 0.973 1.00 0.00 H new ATOM 0 HG SER A 38 -2.729 8.121 1.437 1.00 0.00 H new ATOM 563 N LEU A 39 0.515 5.905 -1.517 1.00 0.00 N ATOM 564 CA LEU A 39 1.404 4.818 -1.911 1.00 0.00 C ATOM 565 C LEU A 39 2.610 5.351 -2.678 1.00 0.00 C ATOM 566 O LEU A 39 3.712 4.812 -2.576 1.00 0.00 O ATOM 567 CB LEU A 39 0.649 3.800 -2.769 1.00 0.00 C ATOM 568 CG LEU A 39 -0.665 3.277 -2.188 1.00 0.00 C ATOM 569 CD1 LEU A 39 -1.472 2.557 -3.257 1.00 0.00 C ATOM 570 CD2 LEU A 39 -0.397 2.355 -1.008 1.00 0.00 C ATOM 0 H LEU A 39 -0.440 5.816 -1.864 1.00 0.00 H new ATOM 0 HA LEU A 39 1.760 4.327 -1.005 1.00 0.00 H new ATOM 0 HB2 LEU A 39 0.440 4.255 -3.737 1.00 0.00 H new ATOM 0 HB3 LEU A 39 1.306 2.950 -2.952 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.247 4.128 -1.834 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.404 2.192 -2.825 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -1.695 3.247 -4.071 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.896 1.716 -3.642 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.344 1.992 -0.607 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.206 1.509 -1.337 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.139 2.903 -0.233 1.00 0.00 H new ATOM 582 N LYS A 40 2.394 6.414 -3.445 1.00 0.00 N ATOM 583 CA LYS A 40 3.463 7.024 -4.227 1.00 0.00 C ATOM 584 C LYS A 40 4.792 6.951 -3.482 1.00 0.00 C ATOM 585 O LYS A 40 5.718 6.263 -3.911 1.00 0.00 O ATOM 586 CB LYS A 40 3.123 8.482 -4.544 1.00 0.00 C ATOM 587 CG LYS A 40 4.291 9.268 -5.115 1.00 0.00 C ATOM 588 CD LYS A 40 3.818 10.505 -5.860 1.00 0.00 C ATOM 589 CE LYS A 40 4.919 11.551 -5.958 1.00 0.00 C ATOM 590 NZ LYS A 40 5.054 12.333 -4.699 1.00 0.00 N ATOM 0 H LYS A 40 1.487 6.871 -3.542 1.00 0.00 H new ATOM 0 HA LYS A 40 3.559 6.469 -5.160 1.00 0.00 H new ATOM 0 HB2 LYS A 40 2.297 8.508 -5.254 1.00 0.00 H new ATOM 0 HB3 LYS A 40 2.776 8.972 -3.634 1.00 0.00 H new ATOM 0 HG2 LYS A 40 4.962 9.562 -4.308 1.00 0.00 H new ATOM 0 HG3 LYS A 40 4.864 8.632 -5.790 1.00 0.00 H new ATOM 0 HD2 LYS A 40 3.490 10.225 -6.861 1.00 0.00 H new ATOM 0 HD3 LYS A 40 2.954 10.931 -5.349 1.00 0.00 H new ATOM 0 HE2 LYS A 40 5.866 11.061 -6.185 1.00 0.00 H new ATOM 0 HE3 LYS A 40 4.704 12.228 -6.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 5.814 13.035 -4.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 4.158 12.821 -4.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 5.284 11.691 -3.914 1.00 0.00 H new ATOM 604 N ASN A 41 4.878 7.664 -2.364 1.00 0.00 N ATOM 605 CA ASN A 41 6.094 7.679 -1.558 1.00 0.00 C ATOM 606 C ASN A 41 6.576 6.259 -1.274 1.00 0.00 C ATOM 607 O ASN A 41 7.720 5.911 -1.564 1.00 0.00 O ATOM 608 CB ASN A 41 5.850 8.419 -0.242 1.00 0.00 C ATOM 609 CG ASN A 41 4.944 9.623 -0.416 1.00 0.00 C ATOM 610 OD1 ASN A 41 4.664 10.047 -1.537 1.00 0.00 O ATOM 611 ND2 ASN A 41 4.482 10.181 0.698 1.00 0.00 N ATOM 0 H ASN A 41 4.121 8.239 -1.995 1.00 0.00 H new ATOM 0 HA ASN A 41 6.867 8.201 -2.122 1.00 0.00 H new ATOM 0 HB2 ASN A 41 5.405 7.734 0.480 1.00 0.00 H new ATOM 0 HB3 ASN A 41 6.805 8.743 0.172 1.00 0.00 H new ATOM 0 HD21 ASN A 41 3.869 10.995 0.645 1.00 0.00 H new ATOM 0 HD22 ASN A 41 4.740 9.796 1.606 1.00 0.00 H new ATOM 618 N GLY A 42 5.694 5.443 -0.706 1.00 0.00 N ATOM 619 CA GLY A 42 6.047 4.071 -0.392 1.00 0.00 C ATOM 620 C GLY A 42 6.051 3.799 1.099 1.00 0.00 C ATOM 621 O GLY A 42 6.018 2.645 1.527 1.00 0.00 O ATOM 0 H GLY A 42 4.741 5.708 -0.458 1.00 0.00 H new ATOM 0 HA2 GLY A 42 5.342 3.397 -0.879 1.00 0.00 H new ATOM 0 HA3 GLY A 42 7.033 3.850 -0.801 1.00 0.00 H new ATOM 625 N VAL A 43 6.093 4.864 1.893 1.00 0.00 N ATOM 626 CA VAL A 43 6.102 4.736 3.345 1.00 0.00 C ATOM 627 C VAL A 43 4.837 4.046 3.844 1.00 0.00 C ATOM 628 O VAL A 43 4.866 3.308 4.828 1.00 0.00 O ATOM 629 CB VAL A 43 6.228 6.110 4.030 1.00 0.00 C ATOM 630 CG1 VAL A 43 5.186 7.075 3.486 1.00 0.00 C ATOM 631 CG2 VAL A 43 6.099 5.967 5.539 1.00 0.00 C ATOM 0 H VAL A 43 6.121 5.826 1.555 1.00 0.00 H new ATOM 0 HA VAL A 43 6.970 4.129 3.603 1.00 0.00 H new ATOM 0 HB VAL A 43 7.215 6.517 3.810 1.00 0.00 H new ATOM 0 HG11 VAL A 43 5.290 8.040 3.981 1.00 0.00 H new ATOM 0 HG12 VAL A 43 5.331 7.200 2.413 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.189 6.677 3.673 1.00 0.00 H new ATOM 0 HG21 VAL A 43 6.190 6.947 6.007 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.127 5.538 5.782 1.00 0.00 H new ATOM 0 HG23 VAL A 43 6.887 5.313 5.911 1.00 0.00 H new ATOM 641 N VAL A 44 3.726 4.291 3.156 1.00 0.00 N ATOM 642 CA VAL A 44 2.449 3.693 3.528 1.00 0.00 C ATOM 643 C VAL A 44 2.498 2.174 3.405 1.00 0.00 C ATOM 644 O VAL A 44 2.013 1.453 4.279 1.00 0.00 O ATOM 645 CB VAL A 44 1.301 4.231 2.653 1.00 0.00 C ATOM 646 CG1 VAL A 44 -0.015 3.569 3.032 1.00 0.00 C ATOM 647 CG2 VAL A 44 1.202 5.744 2.777 1.00 0.00 C ATOM 0 H VAL A 44 3.685 4.899 2.338 1.00 0.00 H new ATOM 0 HA VAL A 44 2.262 3.965 4.567 1.00 0.00 H new ATOM 0 HB VAL A 44 1.515 3.988 1.612 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -0.814 3.962 2.403 1.00 0.00 H new ATOM 0 HG12 VAL A 44 0.065 2.492 2.887 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -0.240 3.779 4.078 1.00 0.00 H new ATOM 0 HG21 VAL A 44 0.386 6.108 2.152 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.011 6.012 3.816 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.138 6.198 2.451 1.00 0.00 H new ATOM 657 N LEU A 45 3.087 1.693 2.316 1.00 0.00 N ATOM 658 CA LEU A 45 3.200 0.258 2.078 1.00 0.00 C ATOM 659 C LEU A 45 4.149 -0.387 3.083 1.00 0.00 C ATOM 660 O LEU A 45 3.951 -1.532 3.491 1.00 0.00 O ATOM 661 CB LEU A 45 3.692 -0.006 0.653 1.00 0.00 C ATOM 662 CG LEU A 45 2.767 0.458 -0.472 1.00 0.00 C ATOM 663 CD1 LEU A 45 3.571 0.800 -1.717 1.00 0.00 C ATOM 664 CD2 LEU A 45 1.728 -0.610 -0.783 1.00 0.00 C ATOM 0 H LEU A 45 3.494 2.275 1.584 1.00 0.00 H new ATOM 0 HA LEU A 45 2.212 -0.185 2.202 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.658 0.483 0.527 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.860 -1.077 0.540 1.00 0.00 H new ATOM 0 HG LEU A 45 2.247 1.357 -0.141 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.896 1.128 -2.507 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.276 1.599 -1.487 1.00 0.00 H new ATOM 0 HD13 LEU A 45 4.118 -0.082 -2.050 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.078 -0.263 -1.586 1.00 0.00 H new ATOM 0 HD22 LEU A 45 2.230 -1.527 -1.093 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.131 -0.807 0.107 1.00 0.00 H new ATOM 676 N CYS A 46 5.177 0.355 3.479 1.00 0.00 N ATOM 677 CA CYS A 46 6.156 -0.145 4.438 1.00 0.00 C ATOM 678 C CYS A 46 5.513 -0.376 5.801 1.00 0.00 C ATOM 679 O CYS A 46 5.831 -1.342 6.494 1.00 0.00 O ATOM 680 CB CYS A 46 7.319 0.839 4.570 1.00 0.00 C ATOM 681 SG CYS A 46 8.375 0.935 3.105 1.00 0.00 S ATOM 0 H CYS A 46 5.354 1.304 3.151 1.00 0.00 H new ATOM 0 HA CYS A 46 6.535 -1.098 4.069 1.00 0.00 H new ATOM 0 HB2 CYS A 46 6.919 1.831 4.782 1.00 0.00 H new ATOM 0 HB3 CYS A 46 7.929 0.551 5.426 1.00 0.00 H new ATOM 0 HG CYS A 46 7.757 1.589 2.167 1.00 0.00 H new ATOM 687 N LYS A 47 4.607 0.519 6.182 1.00 0.00 N ATOM 688 CA LYS A 47 3.918 0.415 7.462 1.00 0.00 C ATOM 689 C LYS A 47 2.905 -0.725 7.444 1.00 0.00 C ATOM 690 O LYS A 47 2.554 -1.275 8.489 1.00 0.00 O ATOM 691 CB LYS A 47 3.214 1.732 7.795 1.00 0.00 C ATOM 692 CG LYS A 47 4.166 2.846 8.195 1.00 0.00 C ATOM 693 CD LYS A 47 3.416 4.118 8.553 1.00 0.00 C ATOM 694 CE LYS A 47 4.371 5.262 8.859 1.00 0.00 C ATOM 695 NZ LYS A 47 3.766 6.587 8.552 1.00 0.00 N ATOM 0 H LYS A 47 4.333 1.326 5.621 1.00 0.00 H new ATOM 0 HA LYS A 47 4.662 0.204 8.230 1.00 0.00 H new ATOM 0 HB2 LYS A 47 2.635 2.054 6.929 1.00 0.00 H new ATOM 0 HB3 LYS A 47 2.507 1.561 8.606 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.766 2.525 9.046 1.00 0.00 H new ATOM 0 HG3 LYS A 47 4.856 3.048 7.376 1.00 0.00 H new ATOM 0 HD2 LYS A 47 2.762 4.400 7.728 1.00 0.00 H new ATOM 0 HD3 LYS A 47 2.778 3.934 9.418 1.00 0.00 H new ATOM 0 HE2 LYS A 47 4.654 5.227 9.911 1.00 0.00 H new ATOM 0 HE3 LYS A 47 5.285 5.137 8.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 4.518 7.264 8.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 3.114 6.493 7.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 3.244 6.931 9.383 1.00 0.00 H new ATOM 709 N LEU A 48 2.439 -1.077 6.250 1.00 0.00 N ATOM 710 CA LEU A 48 1.466 -2.153 6.095 1.00 0.00 C ATOM 711 C LEU A 48 2.130 -3.515 6.270 1.00 0.00 C ATOM 712 O LEU A 48 1.922 -4.193 7.277 1.00 0.00 O ATOM 713 CB LEU A 48 0.800 -2.070 4.721 1.00 0.00 C ATOM 714 CG LEU A 48 -0.102 -3.246 4.341 1.00 0.00 C ATOM 715 CD1 LEU A 48 -1.330 -3.288 5.237 1.00 0.00 C ATOM 716 CD2 LEU A 48 -0.510 -3.153 2.878 1.00 0.00 C ATOM 0 H LEU A 48 2.719 -0.633 5.376 1.00 0.00 H new ATOM 0 HA LEU A 48 0.706 -2.038 6.868 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.208 -1.156 4.681 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.581 -1.978 3.966 1.00 0.00 H new ATOM 0 HG LEU A 48 0.458 -4.170 4.484 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -1.960 -4.131 4.952 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -1.019 -3.402 6.275 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -1.893 -2.361 5.127 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -1.151 -3.997 2.625 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.052 -2.222 2.710 1.00 0.00 H new ATOM 0 HD23 LEU A 48 0.381 -3.173 2.250 1.00 0.00 H new ATOM 728 N ILE A 49 2.929 -3.909 5.285 1.00 0.00 N ATOM 729 CA ILE A 49 3.625 -5.189 5.332 1.00 0.00 C ATOM 730 C ILE A 49 4.213 -5.444 6.716 1.00 0.00 C ATOM 731 O ILE A 49 4.386 -6.591 7.126 1.00 0.00 O ATOM 732 CB ILE A 49 4.754 -5.255 4.286 1.00 0.00 C ATOM 733 CG1 ILE A 49 5.316 -6.675 4.199 1.00 0.00 C ATOM 734 CG2 ILE A 49 5.855 -4.264 4.633 1.00 0.00 C ATOM 735 CD1 ILE A 49 4.401 -7.644 3.484 1.00 0.00 C ATOM 0 H ILE A 49 3.111 -3.361 4.444 1.00 0.00 H new ATOM 0 HA ILE A 49 2.887 -5.958 5.106 1.00 0.00 H new ATOM 0 HB ILE A 49 4.344 -4.987 3.312 1.00 0.00 H new ATOM 0 HG12 ILE A 49 6.276 -6.646 3.683 1.00 0.00 H new ATOM 0 HG13 ILE A 49 5.507 -7.044 5.207 1.00 0.00 H new ATOM 0 HG21 ILE A 49 6.646 -4.322 3.885 1.00 0.00 H new ATOM 0 HG22 ILE A 49 5.444 -3.255 4.649 1.00 0.00 H new ATOM 0 HG23 ILE A 49 6.265 -4.504 5.614 1.00 0.00 H new ATOM 0 HD11 ILE A 49 4.863 -8.631 3.460 1.00 0.00 H new ATOM 0 HD12 ILE A 49 3.449 -7.702 4.012 1.00 0.00 H new ATOM 0 HD13 ILE A 49 4.230 -7.298 2.464 1.00 0.00 H new ATOM 747 N ASN A 50 4.517 -4.367 7.431 1.00 0.00 N ATOM 748 CA ASN A 50 5.085 -4.474 8.770 1.00 0.00 C ATOM 749 C ASN A 50 4.048 -4.994 9.761 1.00 0.00 C ATOM 750 O ASN A 50 4.357 -5.814 10.626 1.00 0.00 O ATOM 751 CB ASN A 50 5.612 -3.114 9.234 1.00 0.00 C ATOM 752 CG ASN A 50 7.055 -2.884 8.828 1.00 0.00 C ATOM 753 OD1 ASN A 50 7.861 -3.815 8.807 1.00 0.00 O ATOM 754 ND2 ASN A 50 7.388 -1.640 8.503 1.00 0.00 N ATOM 0 H ASN A 50 4.380 -3.410 7.106 1.00 0.00 H new ATOM 0 HA ASN A 50 5.912 -5.183 8.731 1.00 0.00 H new ATOM 0 HB2 ASN A 50 4.989 -2.324 8.815 1.00 0.00 H new ATOM 0 HB3 ASN A 50 5.527 -3.045 10.319 1.00 0.00 H new ATOM 0 HD21 ASN A 50 8.345 -1.425 8.222 1.00 0.00 H new ATOM 0 HD22 ASN A 50 6.687 -0.900 8.535 1.00 0.00 H new ATOM 761 N ARG A 51 2.817 -4.512 9.628 1.00 0.00 N ATOM 762 CA ARG A 51 1.734 -4.928 10.511 1.00 0.00 C ATOM 763 C ARG A 51 1.334 -6.374 10.238 1.00 0.00 C ATOM 764 O ARG A 51 0.960 -7.110 11.152 1.00 0.00 O ATOM 765 CB ARG A 51 0.522 -4.010 10.335 1.00 0.00 C ATOM 766 CG ARG A 51 -0.567 -4.233 11.371 1.00 0.00 C ATOM 767 CD ARG A 51 -0.182 -3.643 12.719 1.00 0.00 C ATOM 768 NE ARG A 51 -1.132 -4.007 13.767 1.00 0.00 N ATOM 769 CZ ARG A 51 -0.845 -3.972 15.063 1.00 0.00 C ATOM 770 NH1 ARG A 51 0.358 -3.591 15.469 1.00 0.00 N ATOM 771 NH2 ARG A 51 -1.763 -4.317 15.957 1.00 0.00 N ATOM 0 H ARG A 51 2.545 -3.833 8.917 1.00 0.00 H new ATOM 0 HA ARG A 51 2.090 -4.856 11.539 1.00 0.00 H new ATOM 0 HB2 ARG A 51 0.852 -2.973 10.385 1.00 0.00 H new ATOM 0 HB3 ARG A 51 0.102 -4.163 9.341 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -1.497 -3.780 11.027 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -0.754 -5.301 11.480 1.00 0.00 H new ATOM 0 HD2 ARG A 51 0.814 -3.990 12.996 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -0.130 -2.557 12.638 1.00 0.00 H new ATOM 0 HE ARG A 51 -2.067 -4.304 13.488 1.00 0.00 H new ATOM 0 HH11 ARG A 51 1.066 -3.324 14.785 1.00 0.00 H new ATOM 0 HH12 ARG A 51 0.576 -3.565 16.465 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -2.690 -4.610 15.649 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -1.541 -4.290 16.952 1.00 0.00 H new ATOM 785 N LEU A 52 1.416 -6.776 8.974 1.00 0.00 N ATOM 786 CA LEU A 52 1.062 -8.135 8.579 1.00 0.00 C ATOM 787 C LEU A 52 2.096 -9.136 9.086 1.00 0.00 C ATOM 788 O LEU A 52 1.752 -10.129 9.726 1.00 0.00 O ATOM 789 CB LEU A 52 0.945 -8.231 7.057 1.00 0.00 C ATOM 790 CG LEU A 52 0.061 -7.180 6.384 1.00 0.00 C ATOM 791 CD1 LEU A 52 0.163 -7.287 4.871 1.00 0.00 C ATOM 792 CD2 LEU A 52 -1.384 -7.331 6.836 1.00 0.00 C ATOM 0 H LEU A 52 1.724 -6.180 8.206 1.00 0.00 H new ATOM 0 HA LEU A 52 0.098 -8.378 9.027 1.00 0.00 H new ATOM 0 HB2 LEU A 52 1.946 -8.162 6.631 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.558 -9.218 6.804 1.00 0.00 H new ATOM 0 HG LEU A 52 0.412 -6.192 6.682 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -0.473 -6.532 4.409 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.197 -7.129 4.564 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -0.162 -8.278 4.554 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -1.999 -6.575 6.347 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -1.747 -8.323 6.568 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -1.442 -7.203 7.917 1.00 0.00 H new ATOM 804 N MET A 53 3.364 -8.866 8.796 1.00 0.00 N ATOM 805 CA MET A 53 4.449 -9.741 9.225 1.00 0.00 C ATOM 806 C MET A 53 5.412 -9.001 10.147 1.00 0.00 C ATOM 807 O MET A 53 5.874 -7.900 9.848 1.00 0.00 O ATOM 808 CB MET A 53 5.204 -10.286 8.011 1.00 0.00 C ATOM 809 CG MET A 53 4.405 -11.291 7.199 1.00 0.00 C ATOM 810 SD MET A 53 4.629 -12.985 7.775 1.00 0.00 S ATOM 811 CE MET A 53 5.181 -13.784 6.270 1.00 0.00 C ATOM 0 H MET A 53 3.666 -8.049 8.266 1.00 0.00 H new ATOM 0 HA MET A 53 4.014 -10.574 9.777 1.00 0.00 H new ATOM 0 HB2 MET A 53 5.488 -9.454 7.366 1.00 0.00 H new ATOM 0 HB3 MET A 53 6.127 -10.756 8.349 1.00 0.00 H new ATOM 0 HG2 MET A 53 3.347 -11.032 7.247 1.00 0.00 H new ATOM 0 HG3 MET A 53 4.702 -11.225 6.152 1.00 0.00 H new ATOM 0 HE1 MET A 53 5.660 -14.732 6.516 1.00 0.00 H new ATOM 0 HE2 MET A 53 4.325 -13.968 5.621 1.00 0.00 H new ATOM 0 HE3 MET A 53 5.894 -13.139 5.756 1.00 0.00 H new ATOM 821 N PRO A 54 5.724 -9.617 11.297 1.00 0.00 N ATOM 822 CA PRO A 54 6.635 -9.035 12.287 1.00 0.00 C ATOM 823 C PRO A 54 8.079 -9.005 11.798 1.00 0.00 C ATOM 824 O PRO A 54 8.813 -9.982 11.939 1.00 0.00 O ATOM 825 CB PRO A 54 6.497 -9.970 13.490 1.00 0.00 C ATOM 826 CG PRO A 54 6.063 -11.272 12.910 1.00 0.00 C ATOM 827 CD PRO A 54 5.210 -10.931 11.720 1.00 0.00 C ATOM 0 HA PRO A 54 6.388 -7.997 12.507 1.00 0.00 H new ATOM 0 HB2 PRO A 54 7.442 -10.070 14.024 1.00 0.00 H new ATOM 0 HB3 PRO A 54 5.766 -9.591 14.204 1.00 0.00 H new ATOM 0 HG2 PRO A 54 6.923 -11.874 12.614 1.00 0.00 H new ATOM 0 HG3 PRO A 54 5.501 -11.856 13.639 1.00 0.00 H new ATOM 0 HD2 PRO A 54 5.308 -11.674 10.929 1.00 0.00 H new ATOM 0 HD3 PRO A 54 4.153 -10.883 11.983 1.00 0.00 H new ATOM 835 N GLY A 55 8.481 -7.876 11.222 1.00 0.00 N ATOM 836 CA GLY A 55 9.837 -7.740 10.722 1.00 0.00 C ATOM 837 C GLY A 55 9.902 -7.778 9.208 1.00 0.00 C ATOM 838 O GLY A 55 10.674 -8.544 8.632 1.00 0.00 O ATOM 0 H GLY A 55 7.892 -7.053 11.093 1.00 0.00 H new ATOM 0 HA2 GLY A 55 10.260 -6.800 11.077 1.00 0.00 H new ATOM 0 HA3 GLY A 55 10.454 -8.541 11.130 1.00 0.00 H new ATOM 842 N SER A 56 9.088 -6.949 8.561 1.00 0.00 N ATOM 843 CA SER A 56 9.053 -6.895 7.104 1.00 0.00 C ATOM 844 C SER A 56 10.080 -5.900 6.573 1.00 0.00 C ATOM 845 O SER A 56 10.917 -6.241 5.737 1.00 0.00 O ATOM 846 CB SER A 56 7.654 -6.508 6.621 1.00 0.00 C ATOM 847 OG SER A 56 6.684 -7.438 7.070 1.00 0.00 O ATOM 0 H SER A 56 8.445 -6.306 9.023 1.00 0.00 H new ATOM 0 HA SER A 56 9.301 -7.885 6.722 1.00 0.00 H new ATOM 0 HB2 SER A 56 7.403 -5.512 6.985 1.00 0.00 H new ATOM 0 HB3 SER A 56 7.642 -6.462 5.532 1.00 0.00 H new ATOM 0 HG SER A 56 5.922 -6.956 7.454 1.00 0.00 H new ATOM 853 N VAL A 57 10.010 -4.667 7.065 1.00 0.00 N ATOM 854 CA VAL A 57 10.934 -3.621 6.641 1.00 0.00 C ATOM 855 C VAL A 57 11.837 -3.188 7.790 1.00 0.00 C ATOM 856 O VAL A 57 11.361 -2.852 8.874 1.00 0.00 O ATOM 857 CB VAL A 57 10.180 -2.391 6.103 1.00 0.00 C ATOM 858 CG1 VAL A 57 11.157 -1.288 5.726 1.00 0.00 C ATOM 859 CG2 VAL A 57 9.313 -2.776 4.914 1.00 0.00 C ATOM 0 H VAL A 57 9.323 -4.368 7.757 1.00 0.00 H new ATOM 0 HA VAL A 57 11.544 -4.042 5.842 1.00 0.00 H new ATOM 0 HB VAL A 57 9.529 -2.012 6.891 1.00 0.00 H new ATOM 0 HG11 VAL A 57 10.606 -0.427 5.348 1.00 0.00 H new ATOM 0 HG12 VAL A 57 11.731 -0.994 6.605 1.00 0.00 H new ATOM 0 HG13 VAL A 57 11.836 -1.651 4.955 1.00 0.00 H new ATOM 0 HG21 VAL A 57 8.787 -1.895 4.546 1.00 0.00 H new ATOM 0 HG22 VAL A 57 9.942 -3.180 4.121 1.00 0.00 H new ATOM 0 HG23 VAL A 57 8.588 -3.529 5.221 1.00 0.00 H new ATOM 869 N GLU A 58 13.144 -3.197 7.544 1.00 0.00 N ATOM 870 CA GLU A 58 14.114 -2.805 8.559 1.00 0.00 C ATOM 871 C GLU A 58 13.894 -1.359 8.993 1.00 0.00 C ATOM 872 O GLU A 58 13.517 -1.091 10.134 1.00 0.00 O ATOM 873 CB GLU A 58 15.539 -2.979 8.029 1.00 0.00 C ATOM 874 CG GLU A 58 15.979 -4.429 7.931 1.00 0.00 C ATOM 875 CD GLU A 58 17.485 -4.589 8.016 1.00 0.00 C ATOM 876 OE1 GLU A 58 18.153 -4.474 6.967 1.00 0.00 O ATOM 877 OE2 GLU A 58 17.995 -4.829 9.130 1.00 0.00 O ATOM 0 H GLU A 58 13.554 -3.471 6.651 1.00 0.00 H new ATOM 0 HA GLU A 58 13.975 -3.451 9.426 1.00 0.00 H new ATOM 0 HB2 GLU A 58 15.610 -2.519 7.043 1.00 0.00 H new ATOM 0 HB3 GLU A 58 16.228 -2.442 8.681 1.00 0.00 H new ATOM 0 HG2 GLU A 58 15.511 -5.002 8.732 1.00 0.00 H new ATOM 0 HG3 GLU A 58 15.625 -4.849 6.990 1.00 0.00 H new ATOM 884 N LYS A 59 14.132 -0.429 8.074 1.00 0.00 N ATOM 885 CA LYS A 59 13.959 0.991 8.358 1.00 0.00 C ATOM 886 C LYS A 59 13.652 1.767 7.082 1.00 0.00 C ATOM 887 O LYS A 59 14.486 1.857 6.182 1.00 0.00 O ATOM 888 CB LYS A 59 15.218 1.555 9.021 1.00 0.00 C ATOM 889 CG LYS A 59 15.414 1.087 10.452 1.00 0.00 C ATOM 890 CD LYS A 59 16.406 1.966 11.196 1.00 0.00 C ATOM 891 CE LYS A 59 16.614 1.486 12.624 1.00 0.00 C ATOM 892 NZ LYS A 59 17.744 2.193 13.288 1.00 0.00 N ATOM 0 H LYS A 59 14.446 -0.634 7.125 1.00 0.00 H new ATOM 0 HA LYS A 59 13.116 1.101 9.040 1.00 0.00 H new ATOM 0 HB2 LYS A 59 16.089 1.268 8.431 1.00 0.00 H new ATOM 0 HB3 LYS A 59 15.169 2.644 9.007 1.00 0.00 H new ATOM 0 HG2 LYS A 59 14.457 1.096 10.973 1.00 0.00 H new ATOM 0 HG3 LYS A 59 15.768 0.056 10.453 1.00 0.00 H new ATOM 0 HD2 LYS A 59 17.360 1.967 10.669 1.00 0.00 H new ATOM 0 HD3 LYS A 59 16.046 2.995 11.206 1.00 0.00 H new ATOM 0 HE2 LYS A 59 15.700 1.644 13.197 1.00 0.00 H new ATOM 0 HE3 LYS A 59 16.808 0.413 12.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 17.853 1.838 14.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 18.621 2.022 12.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 17.548 3.214 13.313 1.00 0.00 H new ATOM 906 N PHE A 60 12.449 2.329 7.012 1.00 0.00 N ATOM 907 CA PHE A 60 12.032 3.099 5.846 1.00 0.00 C ATOM 908 C PHE A 60 11.973 4.589 6.171 1.00 0.00 C ATOM 909 O PHE A 60 12.285 5.004 7.288 1.00 0.00 O ATOM 910 CB PHE A 60 10.665 2.619 5.354 1.00 0.00 C ATOM 911 CG PHE A 60 9.618 2.585 6.430 1.00 0.00 C ATOM 912 CD1 PHE A 60 9.663 1.627 7.429 1.00 0.00 C ATOM 913 CD2 PHE A 60 8.589 3.514 6.443 1.00 0.00 C ATOM 914 CE1 PHE A 60 8.700 1.594 8.420 1.00 0.00 C ATOM 915 CE2 PHE A 60 7.624 3.486 7.432 1.00 0.00 C ATOM 916 CZ PHE A 60 7.680 2.525 8.422 1.00 0.00 C ATOM 0 H PHE A 60 11.747 2.265 7.749 1.00 0.00 H new ATOM 0 HA PHE A 60 12.769 2.946 5.058 1.00 0.00 H new ATOM 0 HB2 PHE A 60 10.327 3.273 4.550 1.00 0.00 H new ATOM 0 HB3 PHE A 60 10.771 1.621 4.930 1.00 0.00 H new ATOM 0 HD1 PHE A 60 10.459 0.898 7.434 1.00 0.00 H new ATOM 0 HD2 PHE A 60 8.541 4.268 5.671 1.00 0.00 H new ATOM 0 HE1 PHE A 60 8.745 0.840 9.192 1.00 0.00 H new ATOM 0 HE2 PHE A 60 6.827 4.215 7.431 1.00 0.00 H new ATOM 0 HZ PHE A 60 6.928 2.502 9.196 1.00 0.00 H new ATOM 926 N CYS A 61 11.572 5.387 5.188 1.00 0.00 N ATOM 927 CA CYS A 61 11.473 6.831 5.368 1.00 0.00 C ATOM 928 C CYS A 61 10.031 7.249 5.634 1.00 0.00 C ATOM 929 O CYS A 61 9.206 7.290 4.720 1.00 0.00 O ATOM 930 CB CYS A 61 12.007 7.557 4.132 1.00 0.00 C ATOM 931 SG CYS A 61 12.536 9.257 4.446 1.00 0.00 S ATOM 0 H CYS A 61 11.310 5.059 4.258 1.00 0.00 H new ATOM 0 HA CYS A 61 12.077 7.107 6.233 1.00 0.00 H new ATOM 0 HB2 CYS A 61 12.849 6.994 3.729 1.00 0.00 H new ATOM 0 HB3 CYS A 61 11.232 7.565 3.365 1.00 0.00 H new ATOM 0 HG CYS A 61 13.728 9.437 3.960 1.00 0.00 H new ATOM 937 N LEU A 62 9.732 7.555 6.892 1.00 0.00 N ATOM 938 CA LEU A 62 8.388 7.968 7.280 1.00 0.00 C ATOM 939 C LEU A 62 7.945 9.195 6.489 1.00 0.00 C ATOM 940 O LEU A 62 6.840 9.232 5.950 1.00 0.00 O ATOM 941 CB LEU A 62 8.339 8.268 8.779 1.00 0.00 C ATOM 942 CG LEU A 62 8.332 7.053 9.707 1.00 0.00 C ATOM 943 CD1 LEU A 62 8.348 7.493 11.163 1.00 0.00 C ATOM 944 CD2 LEU A 62 7.121 6.174 9.427 1.00 0.00 C ATOM 0 H LEU A 62 10.402 7.525 7.660 1.00 0.00 H new ATOM 0 HA LEU A 62 7.704 7.149 7.057 1.00 0.00 H new ATOM 0 HB2 LEU A 62 9.198 8.889 9.033 1.00 0.00 H new ATOM 0 HB3 LEU A 62 7.446 8.860 8.982 1.00 0.00 H new ATOM 0 HG LEU A 62 9.232 6.469 9.515 1.00 0.00 H new ATOM 0 HD11 LEU A 62 8.343 6.615 11.809 1.00 0.00 H new ATOM 0 HD12 LEU A 62 9.246 8.080 11.356 1.00 0.00 H new ATOM 0 HD13 LEU A 62 7.467 8.100 11.369 1.00 0.00 H new ATOM 0 HD21 LEU A 62 7.133 5.314 10.097 1.00 0.00 H new ATOM 0 HD22 LEU A 62 6.209 6.748 9.590 1.00 0.00 H new ATOM 0 HD23 LEU A 62 7.153 5.829 8.393 1.00 0.00 H new ATOM 956 N ASP A 63 8.817 10.195 6.424 1.00 0.00 N ATOM 957 CA ASP A 63 8.517 11.423 5.696 1.00 0.00 C ATOM 958 C ASP A 63 9.655 11.783 4.746 1.00 0.00 C ATOM 959 O ASP A 63 10.541 12.574 5.071 1.00 0.00 O ATOM 960 CB ASP A 63 8.269 12.573 6.673 1.00 0.00 C ATOM 961 CG ASP A 63 7.524 13.727 6.032 1.00 0.00 C ATOM 962 OD1 ASP A 63 6.275 13.696 6.025 1.00 0.00 O ATOM 963 OD2 ASP A 63 8.188 14.661 5.537 1.00 0.00 O ATOM 0 H ASP A 63 9.736 10.180 6.866 1.00 0.00 H new ATOM 0 HA ASP A 63 7.615 11.256 5.107 1.00 0.00 H new ATOM 0 HB2 ASP A 63 7.698 12.205 7.526 1.00 0.00 H new ATOM 0 HB3 ASP A 63 9.224 12.930 7.059 1.00 0.00 H new ATOM 968 N PRO A 64 9.633 11.189 3.544 1.00 0.00 N ATOM 969 CA PRO A 64 10.656 11.431 2.522 1.00 0.00 C ATOM 970 C PRO A 64 10.571 12.837 1.938 1.00 0.00 C ATOM 971 O PRO A 64 9.634 13.159 1.208 1.00 0.00 O ATOM 972 CB PRO A 64 10.341 10.386 1.449 1.00 0.00 C ATOM 973 CG PRO A 64 8.889 10.096 1.618 1.00 0.00 C ATOM 974 CD PRO A 64 8.607 10.235 3.089 1.00 0.00 C ATOM 0 HA PRO A 64 11.664 11.353 2.929 1.00 0.00 H new ATOM 0 HB2 PRO A 64 10.555 10.767 0.450 1.00 0.00 H new ATOM 0 HB3 PRO A 64 10.943 9.487 1.583 1.00 0.00 H new ATOM 0 HG2 PRO A 64 8.282 10.791 1.037 1.00 0.00 H new ATOM 0 HG3 PRO A 64 8.648 9.092 1.268 1.00 0.00 H new ATOM 0 HD2 PRO A 64 7.600 10.610 3.271 1.00 0.00 H new ATOM 0 HD3 PRO A 64 8.689 9.279 3.606 1.00 0.00 H new ATOM 982 N GLN A 65 11.555 13.669 2.263 1.00 0.00 N ATOM 983 CA GLN A 65 11.589 15.040 1.770 1.00 0.00 C ATOM 984 C GLN A 65 11.990 15.080 0.299 1.00 0.00 C ATOM 985 O GLN A 65 11.635 16.008 -0.428 1.00 0.00 O ATOM 986 CB GLN A 65 12.564 15.879 2.599 1.00 0.00 C ATOM 987 CG GLN A 65 12.037 16.236 3.979 1.00 0.00 C ATOM 988 CD GLN A 65 12.876 17.294 4.668 1.00 0.00 C ATOM 989 OE1 GLN A 65 13.785 17.869 4.069 1.00 0.00 O ATOM 990 NE2 GLN A 65 12.575 17.557 5.935 1.00 0.00 N ATOM 0 H GLN A 65 12.339 13.417 2.865 1.00 0.00 H new ATOM 0 HA GLN A 65 10.587 15.459 1.866 1.00 0.00 H new ATOM 0 HB2 GLN A 65 13.500 15.332 2.707 1.00 0.00 H new ATOM 0 HB3 GLN A 65 12.792 16.797 2.057 1.00 0.00 H new ATOM 0 HG2 GLN A 65 11.011 16.592 3.891 1.00 0.00 H new ATOM 0 HG3 GLN A 65 12.011 15.339 4.597 1.00 0.00 H new ATOM 0 HE21 GLN A 65 11.813 17.056 6.393 1.00 0.00 H new ATOM 0 HE22 GLN A 65 13.106 18.260 6.450 1.00 0.00 H new ATOM 999 N THR A 66 12.733 14.066 -0.134 1.00 0.00 N ATOM 1000 CA THR A 66 13.184 13.986 -1.518 1.00 0.00 C ATOM 1001 C THR A 66 12.755 12.672 -2.161 1.00 0.00 C ATOM 1002 O THR A 66 12.275 11.766 -1.480 1.00 0.00 O ATOM 1003 CB THR A 66 14.716 14.117 -1.618 1.00 0.00 C ATOM 1004 OG1 THR A 66 15.346 13.029 -0.933 1.00 0.00 O ATOM 1005 CG2 THR A 66 15.186 15.437 -1.027 1.00 0.00 C ATOM 0 H THR A 66 13.035 13.289 0.454 1.00 0.00 H new ATOM 0 HA THR A 66 12.720 14.816 -2.050 1.00 0.00 H new ATOM 0 HB THR A 66 14.993 14.091 -2.672 1.00 0.00 H new ATOM 0 HG1 THR A 66 14.956 12.935 -0.039 1.00 0.00 H new ATOM 0 HG21 THR A 66 16.271 15.507 -1.109 1.00 0.00 H new ATOM 0 HG22 THR A 66 14.727 16.263 -1.571 1.00 0.00 H new ATOM 0 HG23 THR A 66 14.897 15.489 0.023 1.00 0.00 H new ATOM 1013 N GLU A 67 12.931 12.575 -3.475 1.00 0.00 N ATOM 1014 CA GLU A 67 12.560 11.371 -4.208 1.00 0.00 C ATOM 1015 C GLU A 67 13.350 10.165 -3.707 1.00 0.00 C ATOM 1016 O GLU A 67 12.773 9.144 -3.332 1.00 0.00 O ATOM 1017 CB GLU A 67 12.801 11.565 -5.707 1.00 0.00 C ATOM 1018 CG GLU A 67 12.729 10.275 -6.507 1.00 0.00 C ATOM 1019 CD GLU A 67 12.722 10.517 -8.004 1.00 0.00 C ATOM 1020 OE1 GLU A 67 12.271 11.603 -8.427 1.00 0.00 O ATOM 1021 OE2 GLU A 67 13.167 9.622 -8.752 1.00 0.00 O ATOM 0 H GLU A 67 13.328 13.316 -4.053 1.00 0.00 H new ATOM 0 HA GLU A 67 11.499 11.185 -4.039 1.00 0.00 H new ATOM 0 HB2 GLU A 67 12.063 12.266 -6.097 1.00 0.00 H new ATOM 0 HB3 GLU A 67 13.781 12.019 -5.853 1.00 0.00 H new ATOM 0 HG2 GLU A 67 13.579 9.644 -6.249 1.00 0.00 H new ATOM 0 HG3 GLU A 67 11.829 9.728 -6.227 1.00 0.00 H new ATOM 1028 N ALA A 68 14.673 10.290 -3.705 1.00 0.00 N ATOM 1029 CA ALA A 68 15.541 9.212 -3.249 1.00 0.00 C ATOM 1030 C ALA A 68 14.988 8.557 -1.988 1.00 0.00 C ATOM 1031 O ALA A 68 15.096 7.344 -1.808 1.00 0.00 O ATOM 1032 CB ALA A 68 16.948 9.737 -3.001 1.00 0.00 C ATOM 0 H ALA A 68 15.167 11.127 -4.014 1.00 0.00 H new ATOM 0 HA ALA A 68 15.580 8.455 -4.032 1.00 0.00 H new ATOM 0 HB1 ALA A 68 17.586 8.921 -2.661 1.00 0.00 H new ATOM 0 HB2 ALA A 68 17.350 10.151 -3.926 1.00 0.00 H new ATOM 0 HB3 ALA A 68 16.917 10.515 -2.239 1.00 0.00 H new ATOM 1038 N ASP A 69 14.397 9.368 -1.117 1.00 0.00 N ATOM 1039 CA ASP A 69 13.827 8.867 0.128 1.00 0.00 C ATOM 1040 C ASP A 69 12.564 8.054 -0.141 1.00 0.00 C ATOM 1041 O ASP A 69 12.314 7.043 0.515 1.00 0.00 O ATOM 1042 CB ASP A 69 13.510 10.028 1.072 1.00 0.00 C ATOM 1043 CG ASP A 69 14.761 10.698 1.605 1.00 0.00 C ATOM 1044 OD1 ASP A 69 15.600 9.997 2.208 1.00 0.00 O ATOM 1045 OD2 ASP A 69 14.901 11.925 1.419 1.00 0.00 O ATOM 0 H ASP A 69 14.300 10.375 -1.250 1.00 0.00 H new ATOM 0 HA ASP A 69 14.563 8.216 0.600 1.00 0.00 H new ATOM 0 HB2 ASP A 69 12.903 10.765 0.546 1.00 0.00 H new ATOM 0 HB3 ASP A 69 12.914 9.661 1.907 1.00 0.00 H new ATOM 1050 N CYS A 70 11.772 8.504 -1.107 1.00 0.00 N ATOM 1051 CA CYS A 70 10.534 7.820 -1.462 1.00 0.00 C ATOM 1052 C CYS A 70 10.823 6.447 -2.060 1.00 0.00 C ATOM 1053 O CYS A 70 10.378 5.425 -1.537 1.00 0.00 O ATOM 1054 CB CYS A 70 9.727 8.662 -2.452 1.00 0.00 C ATOM 1055 SG CYS A 70 9.011 10.160 -1.735 1.00 0.00 S ATOM 0 H CYS A 70 11.965 9.340 -1.659 1.00 0.00 H new ATOM 0 HA CYS A 70 9.950 7.684 -0.552 1.00 0.00 H new ATOM 0 HB2 CYS A 70 10.373 8.943 -3.284 1.00 0.00 H new ATOM 0 HB3 CYS A 70 8.925 8.050 -2.864 1.00 0.00 H new ATOM 0 HG CYS A 70 8.350 10.806 -2.649 1.00 0.00 H new ATOM 1061 N ILE A 71 11.569 6.432 -3.159 1.00 0.00 N ATOM 1062 CA ILE A 71 11.917 5.185 -3.829 1.00 0.00 C ATOM 1063 C ILE A 71 12.326 4.116 -2.821 1.00 0.00 C ATOM 1064 O ILE A 71 11.943 2.954 -2.945 1.00 0.00 O ATOM 1065 CB ILE A 71 13.062 5.388 -4.838 1.00 0.00 C ATOM 1066 CG1 ILE A 71 12.632 6.357 -5.942 1.00 0.00 C ATOM 1067 CG2 ILE A 71 13.487 4.054 -5.433 1.00 0.00 C ATOM 1068 CD1 ILE A 71 11.351 5.951 -6.637 1.00 0.00 C ATOM 0 H ILE A 71 11.944 7.269 -3.605 1.00 0.00 H new ATOM 0 HA ILE A 71 11.027 4.855 -4.365 1.00 0.00 H new ATOM 0 HB ILE A 71 13.916 5.818 -4.314 1.00 0.00 H new ATOM 0 HG12 ILE A 71 12.504 7.351 -5.513 1.00 0.00 H new ATOM 0 HG13 ILE A 71 13.430 6.430 -6.681 1.00 0.00 H new ATOM 0 HG21 ILE A 71 14.297 4.214 -6.144 1.00 0.00 H new ATOM 0 HG22 ILE A 71 13.829 3.393 -4.637 1.00 0.00 H new ATOM 0 HG23 ILE A 71 12.640 3.598 -5.945 1.00 0.00 H new ATOM 0 HD11 ILE A 71 11.107 6.683 -7.407 1.00 0.00 H new ATOM 0 HD12 ILE A 71 11.481 4.971 -7.096 1.00 0.00 H new ATOM 0 HD13 ILE A 71 10.541 5.906 -5.909 1.00 0.00 H new ATOM 1080 N ASN A 72 13.105 4.519 -1.823 1.00 0.00 N ATOM 1081 CA ASN A 72 13.566 3.595 -0.793 1.00 0.00 C ATOM 1082 C ASN A 72 12.389 2.871 -0.146 1.00 0.00 C ATOM 1083 O ASN A 72 12.402 1.649 -0.003 1.00 0.00 O ATOM 1084 CB ASN A 72 14.366 4.346 0.274 1.00 0.00 C ATOM 1085 CG ASN A 72 15.773 4.675 -0.184 1.00 0.00 C ATOM 1086 OD1 ASN A 72 16.315 4.025 -1.078 1.00 0.00 O ATOM 1087 ND2 ASN A 72 16.372 5.690 0.428 1.00 0.00 N ATOM 0 H ASN A 72 13.430 5.479 -1.705 1.00 0.00 H new ATOM 0 HA ASN A 72 14.210 2.854 -1.266 1.00 0.00 H new ATOM 0 HB2 ASN A 72 13.846 5.268 0.532 1.00 0.00 H new ATOM 0 HB3 ASN A 72 14.414 3.743 1.180 1.00 0.00 H new ATOM 0 HD21 ASN A 72 17.319 5.959 0.162 1.00 0.00 H new ATOM 0 HD22 ASN A 72 15.885 6.201 1.164 1.00 0.00 H new ATOM 1094 N ASN A 73 11.372 3.634 0.242 1.00 0.00 N ATOM 1095 CA ASN A 73 10.187 3.066 0.873 1.00 0.00 C ATOM 1096 C ASN A 73 9.544 2.014 -0.025 1.00 0.00 C ATOM 1097 O ASN A 73 9.398 0.855 0.365 1.00 0.00 O ATOM 1098 CB ASN A 73 9.175 4.168 1.193 1.00 0.00 C ATOM 1099 CG ASN A 73 9.757 5.245 2.087 1.00 0.00 C ATOM 1100 OD1 ASN A 73 10.880 5.122 2.576 1.00 0.00 O ATOM 1101 ND2 ASN A 73 8.993 6.309 2.306 1.00 0.00 N ATOM 0 H ASN A 73 11.345 4.648 0.130 1.00 0.00 H new ATOM 0 HA ASN A 73 10.496 2.586 1.802 1.00 0.00 H new ATOM 0 HB2 ASN A 73 8.828 4.620 0.264 1.00 0.00 H new ATOM 0 HB3 ASN A 73 8.304 3.728 1.679 1.00 0.00 H new ATOM 0 HD21 ASN A 73 9.331 7.066 2.900 1.00 0.00 H new ATOM 0 HD22 ASN A 73 8.068 6.369 1.880 1.00 0.00 H new ATOM 1108 N ILE A 74 9.162 2.426 -1.229 1.00 0.00 N ATOM 1109 CA ILE A 74 8.536 1.520 -2.183 1.00 0.00 C ATOM 1110 C ILE A 74 9.300 0.203 -2.275 1.00 0.00 C ATOM 1111 O ILE A 74 8.731 -0.871 -2.088 1.00 0.00 O ATOM 1112 CB ILE A 74 8.451 2.149 -3.586 1.00 0.00 C ATOM 1113 CG1 ILE A 74 7.666 3.462 -3.534 1.00 0.00 C ATOM 1114 CG2 ILE A 74 7.806 1.179 -4.565 1.00 0.00 C ATOM 1115 CD1 ILE A 74 7.980 4.400 -4.678 1.00 0.00 C ATOM 0 H ILE A 74 9.275 3.382 -1.567 1.00 0.00 H new ATOM 0 HA ILE A 74 7.527 1.328 -1.818 1.00 0.00 H new ATOM 0 HB ILE A 74 9.462 2.365 -3.932 1.00 0.00 H new ATOM 0 HG12 ILE A 74 6.599 3.238 -3.541 1.00 0.00 H new ATOM 0 HG13 ILE A 74 7.880 3.967 -2.592 1.00 0.00 H new ATOM 0 HG21 ILE A 74 7.754 1.639 -5.552 1.00 0.00 H new ATOM 0 HG22 ILE A 74 8.402 0.268 -4.621 1.00 0.00 H new ATOM 0 HG23 ILE A 74 6.800 0.934 -4.225 1.00 0.00 H new ATOM 0 HD11 ILE A 74 7.388 5.309 -4.576 1.00 0.00 H new ATOM 0 HD12 ILE A 74 9.040 4.654 -4.660 1.00 0.00 H new ATOM 0 HD13 ILE A 74 7.739 3.914 -5.624 1.00 0.00 H new ATOM 1127 N ASN A 75 10.595 0.296 -2.561 1.00 0.00 N ATOM 1128 CA ASN A 75 11.439 -0.887 -2.675 1.00 0.00 C ATOM 1129 C ASN A 75 11.373 -1.728 -1.404 1.00 0.00 C ATOM 1130 O ASN A 75 11.237 -2.950 -1.461 1.00 0.00 O ATOM 1131 CB ASN A 75 12.887 -0.481 -2.957 1.00 0.00 C ATOM 1132 CG ASN A 75 13.151 -0.268 -4.435 1.00 0.00 C ATOM 1133 OD1 ASN A 75 13.700 -1.138 -5.111 1.00 0.00 O ATOM 1134 ND2 ASN A 75 12.761 0.895 -4.943 1.00 0.00 N ATOM 0 H ASN A 75 11.082 1.178 -2.718 1.00 0.00 H new ATOM 0 HA ASN A 75 11.069 -1.488 -3.506 1.00 0.00 H new ATOM 0 HB2 ASN A 75 13.117 0.436 -2.414 1.00 0.00 H new ATOM 0 HB3 ASN A 75 13.558 -1.252 -2.578 1.00 0.00 H new ATOM 0 HD21 ASN A 75 12.913 1.096 -5.931 1.00 0.00 H new ATOM 0 HD22 ASN A 75 12.310 1.587 -4.345 1.00 0.00 H new ATOM 1141 N ASP A 76 11.470 -1.064 -0.257 1.00 0.00 N ATOM 1142 CA ASP A 76 11.420 -1.749 1.030 1.00 0.00 C ATOM 1143 C ASP A 76 10.168 -2.615 1.135 1.00 0.00 C ATOM 1144 O ASP A 76 10.245 -3.796 1.476 1.00 0.00 O ATOM 1145 CB ASP A 76 11.451 -0.734 2.173 1.00 0.00 C ATOM 1146 CG ASP A 76 12.653 0.187 2.098 1.00 0.00 C ATOM 1147 OD1 ASP A 76 13.669 -0.213 1.492 1.00 0.00 O ATOM 1148 OD2 ASP A 76 12.577 1.307 2.644 1.00 0.00 O ATOM 0 H ASP A 76 11.584 -0.052 -0.192 1.00 0.00 H new ATOM 0 HA ASP A 76 12.295 -2.395 1.105 1.00 0.00 H new ATOM 0 HB2 ASP A 76 10.539 -0.138 2.150 1.00 0.00 H new ATOM 0 HB3 ASP A 76 11.462 -1.264 3.125 1.00 0.00 H new ATOM 1153 N PHE A 77 9.017 -2.020 0.843 1.00 0.00 N ATOM 1154 CA PHE A 77 7.748 -2.736 0.907 1.00 0.00 C ATOM 1155 C PHE A 77 7.826 -4.050 0.135 1.00 0.00 C ATOM 1156 O PHE A 77 7.382 -5.094 0.616 1.00 0.00 O ATOM 1157 CB PHE A 77 6.619 -1.869 0.346 1.00 0.00 C ATOM 1158 CG PHE A 77 5.479 -2.663 -0.224 1.00 0.00 C ATOM 1159 CD1 PHE A 77 4.668 -3.425 0.600 1.00 0.00 C ATOM 1160 CD2 PHE A 77 5.220 -2.648 -1.585 1.00 0.00 C ATOM 1161 CE1 PHE A 77 3.617 -4.157 0.078 1.00 0.00 C ATOM 1162 CE2 PHE A 77 4.171 -3.377 -2.113 1.00 0.00 C ATOM 1163 CZ PHE A 77 3.370 -4.134 -1.280 1.00 0.00 C ATOM 0 H PHE A 77 8.936 -1.043 0.560 1.00 0.00 H new ATOM 0 HA PHE A 77 7.539 -2.960 1.953 1.00 0.00 H new ATOM 0 HB2 PHE A 77 6.241 -1.223 1.138 1.00 0.00 H new ATOM 0 HB3 PHE A 77 7.023 -1.219 -0.431 1.00 0.00 H new ATOM 0 HD1 PHE A 77 4.858 -3.448 1.663 1.00 0.00 H new ATOM 0 HD2 PHE A 77 5.845 -2.060 -2.241 1.00 0.00 H new ATOM 0 HE1 PHE A 77 2.991 -4.746 0.732 1.00 0.00 H new ATOM 0 HE2 PHE A 77 3.978 -3.355 -3.175 1.00 0.00 H new ATOM 0 HZ PHE A 77 2.552 -4.707 -1.691 1.00 0.00 H new ATOM 1173 N LEU A 78 8.392 -3.992 -1.065 1.00 0.00 N ATOM 1174 CA LEU A 78 8.528 -5.176 -1.906 1.00 0.00 C ATOM 1175 C LEU A 78 9.283 -6.280 -1.173 1.00 0.00 C ATOM 1176 O LEU A 78 8.862 -7.437 -1.166 1.00 0.00 O ATOM 1177 CB LEU A 78 9.253 -4.823 -3.206 1.00 0.00 C ATOM 1178 CG LEU A 78 8.608 -3.730 -4.058 1.00 0.00 C ATOM 1179 CD1 LEU A 78 9.588 -3.221 -5.105 1.00 0.00 C ATOM 1180 CD2 LEU A 78 7.339 -4.248 -4.719 1.00 0.00 C ATOM 0 H LEU A 78 8.765 -3.137 -1.478 1.00 0.00 H new ATOM 0 HA LEU A 78 7.528 -5.540 -2.143 1.00 0.00 H new ATOM 0 HB2 LEU A 78 10.268 -4.512 -2.960 1.00 0.00 H new ATOM 0 HB3 LEU A 78 9.334 -5.727 -3.810 1.00 0.00 H new ATOM 0 HG LEU A 78 8.340 -2.898 -3.406 1.00 0.00 H new ATOM 0 HD11 LEU A 78 9.111 -2.444 -5.702 1.00 0.00 H new ATOM 0 HD12 LEU A 78 10.468 -2.810 -4.610 1.00 0.00 H new ATOM 0 HD13 LEU A 78 9.887 -4.044 -5.754 1.00 0.00 H new ATOM 0 HD21 LEU A 78 6.893 -3.456 -5.321 1.00 0.00 H new ATOM 0 HD22 LEU A 78 7.582 -5.097 -5.358 1.00 0.00 H new ATOM 0 HD23 LEU A 78 6.631 -4.562 -3.952 1.00 0.00 H new ATOM 1192 N LYS A 79 10.401 -5.915 -0.554 1.00 0.00 N ATOM 1193 CA LYS A 79 11.214 -6.872 0.186 1.00 0.00 C ATOM 1194 C LYS A 79 10.337 -7.897 0.897 1.00 0.00 C ATOM 1195 O LYS A 79 10.675 -9.078 0.964 1.00 0.00 O ATOM 1196 CB LYS A 79 12.095 -6.145 1.205 1.00 0.00 C ATOM 1197 CG LYS A 79 12.952 -5.049 0.595 1.00 0.00 C ATOM 1198 CD LYS A 79 13.898 -5.602 -0.457 1.00 0.00 C ATOM 1199 CE LYS A 79 14.991 -6.455 0.168 1.00 0.00 C ATOM 1200 NZ LYS A 79 14.591 -7.886 0.266 1.00 0.00 N ATOM 0 H LYS A 79 10.765 -4.962 -0.551 1.00 0.00 H new ATOM 0 HA LYS A 79 11.850 -7.396 -0.527 1.00 0.00 H new ATOM 0 HB2 LYS A 79 11.460 -5.711 1.977 1.00 0.00 H new ATOM 0 HB3 LYS A 79 12.743 -6.871 1.696 1.00 0.00 H new ATOM 0 HG2 LYS A 79 12.310 -4.291 0.146 1.00 0.00 H new ATOM 0 HG3 LYS A 79 13.526 -4.556 1.379 1.00 0.00 H new ATOM 0 HD2 LYS A 79 13.336 -6.199 -1.175 1.00 0.00 H new ATOM 0 HD3 LYS A 79 14.350 -4.779 -1.010 1.00 0.00 H new ATOM 0 HE2 LYS A 79 15.901 -6.372 -0.427 1.00 0.00 H new ATOM 0 HE3 LYS A 79 15.225 -6.074 1.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 14.324 -8.105 1.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 13.781 -8.064 -0.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 15.389 -8.490 -0.019 1.00 0.00 H new ATOM 1214 N GLY A 80 9.206 -7.437 1.425 1.00 0.00 N ATOM 1215 CA GLY A 80 8.297 -8.328 2.122 1.00 0.00 C ATOM 1216 C GLY A 80 7.310 -8.998 1.186 1.00 0.00 C ATOM 1217 O GLY A 80 7.006 -10.182 1.338 1.00 0.00 O ATOM 0 H GLY A 80 8.904 -6.464 1.382 1.00 0.00 H new ATOM 0 HA2 GLY A 80 8.872 -9.092 2.646 1.00 0.00 H new ATOM 0 HA3 GLY A 80 7.751 -7.765 2.879 1.00 0.00 H new ATOM 1221 N CYS A 81 6.808 -8.240 0.218 1.00 0.00 N ATOM 1222 CA CYS A 81 5.847 -8.767 -0.745 1.00 0.00 C ATOM 1223 C CYS A 81 6.321 -10.102 -1.311 1.00 0.00 C ATOM 1224 O CYS A 81 5.539 -11.042 -1.447 1.00 0.00 O ATOM 1225 CB CYS A 81 5.630 -7.766 -1.880 1.00 0.00 C ATOM 1226 SG CYS A 81 6.842 -7.891 -3.216 1.00 0.00 S ATOM 0 H CYS A 81 7.050 -7.259 0.079 1.00 0.00 H new ATOM 0 HA CYS A 81 4.902 -8.928 -0.227 1.00 0.00 H new ATOM 0 HB2 CYS A 81 4.632 -7.913 -2.294 1.00 0.00 H new ATOM 0 HB3 CYS A 81 5.660 -6.756 -1.470 1.00 0.00 H new ATOM 0 HG CYS A 81 8.042 -7.818 -2.721 1.00 0.00 H new ATOM 1232 N ALA A 82 7.606 -10.176 -1.640 1.00 0.00 N ATOM 1233 CA ALA A 82 8.185 -11.395 -2.191 1.00 0.00 C ATOM 1234 C ALA A 82 7.779 -12.615 -1.371 1.00 0.00 C ATOM 1235 O ALA A 82 7.341 -13.627 -1.918 1.00 0.00 O ATOM 1236 CB ALA A 82 9.700 -11.279 -2.253 1.00 0.00 C ATOM 0 H ALA A 82 8.266 -9.406 -1.535 1.00 0.00 H new ATOM 0 HA ALA A 82 7.800 -11.525 -3.202 1.00 0.00 H new ATOM 0 HB1 ALA A 82 10.119 -12.197 -2.666 1.00 0.00 H new ATOM 0 HB2 ALA A 82 9.975 -10.437 -2.888 1.00 0.00 H new ATOM 0 HB3 ALA A 82 10.094 -11.121 -1.249 1.00 0.00 H new ATOM 1242 N THR A 83 7.928 -12.513 -0.054 1.00 0.00 N ATOM 1243 CA THR A 83 7.579 -13.608 0.842 1.00 0.00 C ATOM 1244 C THR A 83 6.163 -14.107 0.575 1.00 0.00 C ATOM 1245 O THR A 83 5.915 -15.313 0.542 1.00 0.00 O ATOM 1246 CB THR A 83 7.690 -13.183 2.319 1.00 0.00 C ATOM 1247 OG1 THR A 83 9.005 -12.684 2.587 1.00 0.00 O ATOM 1248 CG2 THR A 83 7.389 -14.354 3.243 1.00 0.00 C ATOM 0 H THR A 83 8.288 -11.682 0.416 1.00 0.00 H new ATOM 0 HA THR A 83 8.288 -14.413 0.648 1.00 0.00 H new ATOM 0 HB THR A 83 6.958 -12.397 2.504 1.00 0.00 H new ATOM 0 HG1 THR A 83 9.067 -12.414 3.527 1.00 0.00 H new ATOM 0 HG21 THR A 83 7.474 -14.030 4.280 1.00 0.00 H new ATOM 0 HG22 THR A 83 6.377 -14.714 3.057 1.00 0.00 H new ATOM 0 HG23 THR A 83 8.100 -15.158 3.055 1.00 0.00 H new ATOM 1256 N LEU A 84 5.238 -13.174 0.384 1.00 0.00 N ATOM 1257 CA LEU A 84 3.846 -13.520 0.118 1.00 0.00 C ATOM 1258 C LEU A 84 3.707 -14.222 -1.229 1.00 0.00 C ATOM 1259 O LEU A 84 2.757 -14.972 -1.453 1.00 0.00 O ATOM 1260 CB LEU A 84 2.974 -12.263 0.142 1.00 0.00 C ATOM 1261 CG LEU A 84 2.791 -11.600 1.508 1.00 0.00 C ATOM 1262 CD1 LEU A 84 2.578 -10.102 1.350 1.00 0.00 C ATOM 1263 CD2 LEU A 84 1.624 -12.230 2.255 1.00 0.00 C ATOM 0 H LEU A 84 5.426 -12.172 0.408 1.00 0.00 H new ATOM 0 HA LEU A 84 3.512 -14.203 0.899 1.00 0.00 H new ATOM 0 HB2 LEU A 84 3.407 -11.531 -0.540 1.00 0.00 H new ATOM 0 HB3 LEU A 84 1.990 -12.520 -0.250 1.00 0.00 H new ATOM 0 HG LEU A 84 3.698 -11.758 2.091 1.00 0.00 H new ATOM 0 HD11 LEU A 84 2.450 -9.647 2.332 1.00 0.00 H new ATOM 0 HD12 LEU A 84 3.444 -9.661 0.856 1.00 0.00 H new ATOM 0 HD13 LEU A 84 1.687 -9.923 0.748 1.00 0.00 H new ATOM 0 HD21 LEU A 84 1.509 -11.746 3.225 1.00 0.00 H new ATOM 0 HD22 LEU A 84 0.710 -12.103 1.675 1.00 0.00 H new ATOM 0 HD23 LEU A 84 1.817 -13.293 2.401 1.00 0.00 H new ATOM 1275 N GLN A 85 4.661 -13.975 -2.121 1.00 0.00 N ATOM 1276 CA GLN A 85 4.645 -14.586 -3.445 1.00 0.00 C ATOM 1277 C GLN A 85 3.390 -14.187 -4.213 1.00 0.00 C ATOM 1278 O GLN A 85 2.710 -15.033 -4.795 1.00 0.00 O ATOM 1279 CB GLN A 85 4.724 -16.109 -3.328 1.00 0.00 C ATOM 1280 CG GLN A 85 6.001 -16.603 -2.668 1.00 0.00 C ATOM 1281 CD GLN A 85 5.822 -17.943 -1.981 1.00 0.00 C ATOM 1282 OE1 GLN A 85 4.790 -18.203 -1.361 1.00 0.00 O ATOM 1283 NE2 GLN A 85 6.828 -18.802 -2.088 1.00 0.00 N ATOM 0 H GLN A 85 5.454 -13.357 -1.951 1.00 0.00 H new ATOM 0 HA GLN A 85 5.515 -14.226 -3.995 1.00 0.00 H new ATOM 0 HB2 GLN A 85 3.868 -16.466 -2.756 1.00 0.00 H new ATOM 0 HB3 GLN A 85 4.647 -16.546 -4.324 1.00 0.00 H new ATOM 0 HG2 GLN A 85 6.785 -16.686 -3.420 1.00 0.00 H new ATOM 0 HG3 GLN A 85 6.337 -15.867 -1.938 1.00 0.00 H new ATOM 0 HE21 GLN A 85 7.665 -18.545 -2.611 1.00 0.00 H new ATOM 0 HE22 GLN A 85 6.764 -19.719 -1.647 1.00 0.00 H new ATOM 1292 N VAL A 86 3.087 -12.893 -4.211 1.00 0.00 N ATOM 1293 CA VAL A 86 1.913 -12.381 -4.909 1.00 0.00 C ATOM 1294 C VAL A 86 2.304 -11.345 -5.956 1.00 0.00 C ATOM 1295 O VAL A 86 3.482 -11.026 -6.118 1.00 0.00 O ATOM 1296 CB VAL A 86 0.908 -11.749 -3.927 1.00 0.00 C ATOM 1297 CG1 VAL A 86 0.325 -12.808 -3.004 1.00 0.00 C ATOM 1298 CG2 VAL A 86 1.572 -10.639 -3.127 1.00 0.00 C ATOM 0 H VAL A 86 3.638 -12.180 -3.734 1.00 0.00 H new ATOM 0 HA VAL A 86 1.442 -13.231 -5.402 1.00 0.00 H new ATOM 0 HB VAL A 86 0.091 -11.313 -4.501 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -0.383 -12.343 -2.318 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -0.189 -13.565 -3.597 1.00 0.00 H new ATOM 0 HG13 VAL A 86 1.128 -13.277 -2.435 1.00 0.00 H new ATOM 0 HG21 VAL A 86 0.848 -10.204 -2.438 1.00 0.00 H new ATOM 0 HG22 VAL A 86 2.409 -11.049 -2.562 1.00 0.00 H new ATOM 0 HG23 VAL A 86 1.935 -9.868 -3.807 1.00 0.00 H new ATOM 1308 N GLU A 87 1.308 -10.822 -6.664 1.00 0.00 N ATOM 1309 CA GLU A 87 1.549 -9.820 -7.696 1.00 0.00 C ATOM 1310 C GLU A 87 2.404 -8.677 -7.157 1.00 0.00 C ATOM 1311 O GLU A 87 2.340 -8.346 -5.972 1.00 0.00 O ATOM 1312 CB GLU A 87 0.222 -9.273 -8.227 1.00 0.00 C ATOM 1313 CG GLU A 87 -0.433 -10.168 -9.266 1.00 0.00 C ATOM 1314 CD GLU A 87 0.003 -9.836 -10.680 1.00 0.00 C ATOM 1315 OE1 GLU A 87 1.225 -9.825 -10.936 1.00 0.00 O ATOM 1316 OE2 GLU A 87 -0.877 -9.588 -11.530 1.00 0.00 O ATOM 0 H GLU A 87 0.327 -11.075 -6.542 1.00 0.00 H new ATOM 0 HA GLU A 87 2.089 -10.300 -8.512 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -0.465 -9.137 -7.392 1.00 0.00 H new ATOM 0 HB3 GLU A 87 0.393 -8.289 -8.663 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -0.190 -11.208 -9.049 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -1.516 -10.072 -9.192 1.00 0.00 H new ATOM 1323 N ILE A 88 3.203 -8.079 -8.034 1.00 0.00 N ATOM 1324 CA ILE A 88 4.070 -6.973 -7.646 1.00 0.00 C ATOM 1325 C ILE A 88 4.128 -5.911 -8.739 1.00 0.00 C ATOM 1326 O ILE A 88 3.507 -6.054 -9.792 1.00 0.00 O ATOM 1327 CB ILE A 88 5.499 -7.458 -7.341 1.00 0.00 C ATOM 1328 CG1 ILE A 88 6.077 -8.201 -8.548 1.00 0.00 C ATOM 1329 CG2 ILE A 88 5.504 -8.353 -6.110 1.00 0.00 C ATOM 1330 CD1 ILE A 88 7.584 -8.108 -8.649 1.00 0.00 C ATOM 0 H ILE A 88 3.268 -8.341 -9.017 1.00 0.00 H new ATOM 0 HA ILE A 88 3.642 -6.539 -6.742 1.00 0.00 H new ATOM 0 HB ILE A 88 6.126 -6.590 -7.137 1.00 0.00 H new ATOM 0 HG12 ILE A 88 5.789 -9.251 -8.491 1.00 0.00 H new ATOM 0 HG13 ILE A 88 5.634 -7.798 -9.459 1.00 0.00 H new ATOM 0 HG21 ILE A 88 6.521 -8.688 -5.908 1.00 0.00 H new ATOM 0 HG22 ILE A 88 5.128 -7.795 -5.253 1.00 0.00 H new ATOM 0 HG23 ILE A 88 4.866 -9.219 -6.287 1.00 0.00 H new ATOM 0 HD11 ILE A 88 7.924 -8.657 -9.527 1.00 0.00 H new ATOM 0 HD12 ILE A 88 7.879 -7.062 -8.738 1.00 0.00 H new ATOM 0 HD13 ILE A 88 8.036 -8.538 -7.755 1.00 0.00 H new ATOM 1342 N PHE A 89 4.879 -4.845 -8.481 1.00 0.00 N ATOM 1343 CA PHE A 89 5.019 -3.758 -9.443 1.00 0.00 C ATOM 1344 C PHE A 89 6.403 -3.122 -9.346 1.00 0.00 C ATOM 1345 O PHE A 89 7.238 -3.545 -8.546 1.00 0.00 O ATOM 1346 CB PHE A 89 3.940 -2.699 -9.208 1.00 0.00 C ATOM 1347 CG PHE A 89 3.848 -2.243 -7.780 1.00 0.00 C ATOM 1348 CD1 PHE A 89 4.731 -1.300 -7.282 1.00 0.00 C ATOM 1349 CD2 PHE A 89 2.878 -2.759 -6.936 1.00 0.00 C ATOM 1350 CE1 PHE A 89 4.649 -0.878 -5.968 1.00 0.00 C ATOM 1351 CE2 PHE A 89 2.790 -2.341 -5.622 1.00 0.00 C ATOM 1352 CZ PHE A 89 3.678 -1.400 -5.137 1.00 0.00 C ATOM 0 H PHE A 89 5.400 -4.711 -7.614 1.00 0.00 H new ATOM 0 HA PHE A 89 4.898 -4.173 -10.444 1.00 0.00 H new ATOM 0 HB2 PHE A 89 4.144 -1.837 -9.844 1.00 0.00 H new ATOM 0 HB3 PHE A 89 2.975 -3.101 -9.515 1.00 0.00 H new ATOM 0 HD1 PHE A 89 5.493 -0.889 -7.928 1.00 0.00 H new ATOM 0 HD2 PHE A 89 2.183 -3.496 -7.309 1.00 0.00 H new ATOM 0 HE1 PHE A 89 5.343 -0.141 -5.592 1.00 0.00 H new ATOM 0 HE2 PHE A 89 2.028 -2.749 -4.975 1.00 0.00 H new ATOM 0 HZ PHE A 89 3.613 -1.073 -4.110 1.00 0.00 H new ATOM 1362 N ASP A 90 6.637 -2.104 -10.166 1.00 0.00 N ATOM 1363 CA ASP A 90 7.919 -1.407 -10.174 1.00 0.00 C ATOM 1364 C ASP A 90 7.839 -0.114 -9.369 1.00 0.00 C ATOM 1365 O ASP A 90 6.763 0.439 -9.141 1.00 0.00 O ATOM 1366 CB ASP A 90 8.350 -1.103 -11.610 1.00 0.00 C ATOM 1367 CG ASP A 90 9.069 -2.270 -12.258 1.00 0.00 C ATOM 1368 OD1 ASP A 90 8.629 -3.422 -12.060 1.00 0.00 O ATOM 1369 OD2 ASP A 90 10.072 -2.032 -12.962 1.00 0.00 O ATOM 0 H ASP A 90 5.956 -1.742 -10.834 1.00 0.00 H new ATOM 0 HA ASP A 90 8.661 -2.057 -9.711 1.00 0.00 H new ATOM 0 HB2 ASP A 90 7.472 -0.846 -12.203 1.00 0.00 H new ATOM 0 HB3 ASP A 90 9.003 -0.230 -11.613 1.00 0.00 H new ATOM 1374 N PRO A 91 9.005 0.380 -8.926 1.00 0.00 N ATOM 1375 CA PRO A 91 9.094 1.614 -8.139 1.00 0.00 C ATOM 1376 C PRO A 91 8.769 2.854 -8.966 1.00 0.00 C ATOM 1377 O PRO A 91 8.630 3.952 -8.427 1.00 0.00 O ATOM 1378 CB PRO A 91 10.555 1.641 -7.686 1.00 0.00 C ATOM 1379 CG PRO A 91 11.284 0.841 -8.710 1.00 0.00 C ATOM 1380 CD PRO A 91 10.326 -0.226 -9.161 1.00 0.00 C ATOM 0 HA PRO A 91 8.378 1.626 -7.317 1.00 0.00 H new ATOM 0 HB2 PRO A 91 10.935 2.661 -7.636 1.00 0.00 H new ATOM 0 HB3 PRO A 91 10.669 1.210 -6.692 1.00 0.00 H new ATOM 0 HG2 PRO A 91 11.593 1.467 -9.547 1.00 0.00 H new ATOM 0 HG3 PRO A 91 12.189 0.401 -8.290 1.00 0.00 H new ATOM 0 HD2 PRO A 91 10.471 -0.478 -10.211 1.00 0.00 H new ATOM 0 HD3 PRO A 91 10.453 -1.147 -8.591 1.00 0.00 H new ATOM 1388 N ASP A 92 8.649 2.671 -10.276 1.00 0.00 N ATOM 1389 CA ASP A 92 8.339 3.774 -11.177 1.00 0.00 C ATOM 1390 C ASP A 92 6.838 3.863 -11.431 1.00 0.00 C ATOM 1391 O ASP A 92 6.260 4.951 -11.423 1.00 0.00 O ATOM 1392 CB ASP A 92 9.084 3.604 -12.502 1.00 0.00 C ATOM 1393 CG ASP A 92 10.589 3.666 -12.332 1.00 0.00 C ATOM 1394 OD1 ASP A 92 11.104 3.063 -11.368 1.00 0.00 O ATOM 1395 OD2 ASP A 92 11.253 4.318 -13.165 1.00 0.00 O ATOM 0 H ASP A 92 8.762 1.769 -10.738 1.00 0.00 H new ATOM 0 HA ASP A 92 8.664 4.700 -10.703 1.00 0.00 H new ATOM 0 HB2 ASP A 92 8.811 2.648 -12.949 1.00 0.00 H new ATOM 0 HB3 ASP A 92 8.767 4.383 -13.196 1.00 0.00 H new ATOM 1400 N ASP A 93 6.212 2.713 -11.657 1.00 0.00 N ATOM 1401 CA ASP A 93 4.778 2.661 -11.914 1.00 0.00 C ATOM 1402 C ASP A 93 4.000 3.353 -10.799 1.00 0.00 C ATOM 1403 O ASP A 93 3.072 4.120 -11.058 1.00 0.00 O ATOM 1404 CB ASP A 93 4.315 1.210 -12.050 1.00 0.00 C ATOM 1405 CG ASP A 93 4.701 0.602 -13.384 1.00 0.00 C ATOM 1406 OD1 ASP A 93 4.828 1.361 -14.368 1.00 0.00 O ATOM 1407 OD2 ASP A 93 4.876 -0.633 -13.444 1.00 0.00 O ATOM 0 H ASP A 93 6.675 1.804 -11.667 1.00 0.00 H new ATOM 0 HA ASP A 93 4.583 3.186 -12.849 1.00 0.00 H new ATOM 0 HB2 ASP A 93 4.748 0.617 -11.245 1.00 0.00 H new ATOM 0 HB3 ASP A 93 3.232 1.165 -11.933 1.00 0.00 H new ATOM 1412 N LEU A 94 4.385 3.078 -9.557 1.00 0.00 N ATOM 1413 CA LEU A 94 3.724 3.673 -8.401 1.00 0.00 C ATOM 1414 C LEU A 94 4.161 5.122 -8.210 1.00 0.00 C ATOM 1415 O LEU A 94 3.347 6.042 -8.283 1.00 0.00 O ATOM 1416 CB LEU A 94 4.032 2.864 -7.140 1.00 0.00 C ATOM 1417 CG LEU A 94 3.713 3.547 -5.810 1.00 0.00 C ATOM 1418 CD1 LEU A 94 2.244 3.936 -5.748 1.00 0.00 C ATOM 1419 CD2 LEU A 94 4.076 2.640 -4.644 1.00 0.00 C ATOM 0 H LEU A 94 5.152 2.447 -9.325 1.00 0.00 H new ATOM 0 HA LEU A 94 2.649 3.658 -8.580 1.00 0.00 H new ATOM 0 HB2 LEU A 94 3.475 1.928 -7.188 1.00 0.00 H new ATOM 0 HB3 LEU A 94 5.091 2.605 -7.148 1.00 0.00 H new ATOM 0 HG LEU A 94 4.311 4.455 -5.738 1.00 0.00 H new ATOM 0 HD11 LEU A 94 2.036 4.421 -4.794 1.00 0.00 H new ATOM 0 HD12 LEU A 94 2.015 4.624 -6.562 1.00 0.00 H new ATOM 0 HD13 LEU A 94 1.627 3.043 -5.843 1.00 0.00 H new ATOM 0 HD21 LEU A 94 3.842 3.143 -3.706 1.00 0.00 H new ATOM 0 HD22 LEU A 94 3.505 1.714 -4.712 1.00 0.00 H new ATOM 0 HD23 LEU A 94 5.141 2.413 -4.678 1.00 0.00 H new ATOM 1431 N TYR A 95 5.453 5.316 -7.967 1.00 0.00 N ATOM 1432 CA TYR A 95 5.999 6.653 -7.765 1.00 0.00 C ATOM 1433 C TYR A 95 5.488 7.618 -8.831 1.00 0.00 C ATOM 1434 O TYR A 95 4.836 8.615 -8.521 1.00 0.00 O ATOM 1435 CB TYR A 95 7.528 6.611 -7.791 1.00 0.00 C ATOM 1436 CG TYR A 95 8.175 7.940 -7.471 1.00 0.00 C ATOM 1437 CD1 TYR A 95 7.821 8.652 -6.332 1.00 0.00 C ATOM 1438 CD2 TYR A 95 9.143 8.482 -8.307 1.00 0.00 C ATOM 1439 CE1 TYR A 95 8.409 9.866 -6.036 1.00 0.00 C ATOM 1440 CE2 TYR A 95 9.738 9.695 -8.019 1.00 0.00 C ATOM 1441 CZ TYR A 95 9.367 10.383 -6.882 1.00 0.00 C ATOM 1442 OH TYR A 95 9.957 11.592 -6.590 1.00 0.00 O ATOM 0 H TYR A 95 6.141 4.565 -7.905 1.00 0.00 H new ATOM 0 HA TYR A 95 5.668 7.009 -6.790 1.00 0.00 H new ATOM 0 HB2 TYR A 95 7.875 5.866 -7.075 1.00 0.00 H new ATOM 0 HB3 TYR A 95 7.858 6.284 -8.777 1.00 0.00 H new ATOM 0 HD1 TYR A 95 7.072 8.249 -5.666 1.00 0.00 H new ATOM 0 HD2 TYR A 95 9.436 7.946 -9.198 1.00 0.00 H new ATOM 0 HE1 TYR A 95 8.120 10.407 -5.147 1.00 0.00 H new ATOM 0 HE2 TYR A 95 10.489 10.102 -8.680 1.00 0.00 H new ATOM 0 HH TYR A 95 10.552 11.852 -7.324 1.00 0.00 H new ATOM 1452 N SER A 96 5.787 7.312 -10.089 1.00 0.00 N ATOM 1453 CA SER A 96 5.362 8.152 -11.202 1.00 0.00 C ATOM 1454 C SER A 96 3.842 8.146 -11.337 1.00 0.00 C ATOM 1455 O SER A 96 3.207 9.198 -11.378 1.00 0.00 O ATOM 1456 CB SER A 96 6.003 7.671 -12.506 1.00 0.00 C ATOM 1457 OG SER A 96 5.620 8.493 -13.595 1.00 0.00 O ATOM 0 H SER A 96 6.322 6.488 -10.363 1.00 0.00 H new ATOM 0 HA SER A 96 5.688 9.172 -11.000 1.00 0.00 H new ATOM 0 HB2 SER A 96 7.088 7.677 -12.405 1.00 0.00 H new ATOM 0 HB3 SER A 96 5.707 6.640 -12.702 1.00 0.00 H new ATOM 0 HG SER A 96 6.043 8.166 -14.416 1.00 0.00 H new ATOM 1463 N GLY A 97 3.265 6.950 -11.406 1.00 0.00 N ATOM 1464 CA GLY A 97 1.825 6.827 -11.535 1.00 0.00 C ATOM 1465 C GLY A 97 1.398 6.469 -12.945 1.00 0.00 C ATOM 1466 O GLY A 97 0.407 6.993 -13.454 1.00 0.00 O ATOM 0 H GLY A 97 3.769 6.064 -11.375 1.00 0.00 H new ATOM 0 HA2 GLY A 97 1.465 6.064 -10.845 1.00 0.00 H new ATOM 0 HA3 GLY A 97 1.356 7.767 -11.244 1.00 0.00 H new ATOM 1470 N VAL A 98 2.149 5.575 -13.580 1.00 0.00 N ATOM 1471 CA VAL A 98 1.843 5.148 -14.940 1.00 0.00 C ATOM 1472 C VAL A 98 0.816 4.021 -14.945 1.00 0.00 C ATOM 1473 O VAL A 98 -0.262 4.153 -15.522 1.00 0.00 O ATOM 1474 CB VAL A 98 3.110 4.676 -15.678 1.00 0.00 C ATOM 1475 CG1 VAL A 98 2.765 4.199 -17.081 1.00 0.00 C ATOM 1476 CG2 VAL A 98 4.145 5.790 -15.725 1.00 0.00 C ATOM 0 H VAL A 98 2.974 5.132 -13.174 1.00 0.00 H new ATOM 0 HA VAL A 98 1.430 6.014 -15.458 1.00 0.00 H new ATOM 0 HB VAL A 98 3.537 3.837 -15.129 1.00 0.00 H new ATOM 0 HG11 VAL A 98 3.673 3.870 -17.587 1.00 0.00 H new ATOM 0 HG12 VAL A 98 2.062 3.369 -17.020 1.00 0.00 H new ATOM 0 HG13 VAL A 98 2.313 5.017 -17.643 1.00 0.00 H new ATOM 0 HG21 VAL A 98 5.034 5.439 -16.250 1.00 0.00 H new ATOM 0 HG22 VAL A 98 3.730 6.651 -16.250 1.00 0.00 H new ATOM 0 HG23 VAL A 98 4.414 6.080 -14.709 1.00 0.00 H new ATOM 1486 N ASN A 99 1.159 2.912 -14.297 1.00 0.00 N ATOM 1487 CA ASN A 99 0.267 1.761 -14.226 1.00 0.00 C ATOM 1488 C ASN A 99 -0.120 1.461 -12.781 1.00 0.00 C ATOM 1489 O ASN A 99 0.465 0.588 -12.139 1.00 0.00 O ATOM 1490 CB ASN A 99 0.932 0.534 -14.853 1.00 0.00 C ATOM 1491 CG ASN A 99 0.695 0.449 -16.349 1.00 0.00 C ATOM 1492 OD1 ASN A 99 1.183 1.280 -17.114 1.00 0.00 O ATOM 1493 ND2 ASN A 99 -0.059 -0.559 -16.772 1.00 0.00 N ATOM 0 H ASN A 99 2.048 2.787 -13.814 1.00 0.00 H new ATOM 0 HA ASN A 99 -0.638 2.000 -14.784 1.00 0.00 H new ATOM 0 HB2 ASN A 99 2.004 0.566 -14.659 1.00 0.00 H new ATOM 0 HB3 ASN A 99 0.549 -0.368 -14.375 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -0.254 -0.667 -17.767 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -0.443 -1.225 -16.102 1.00 0.00 H new ATOM 1500 N PHE A 100 -1.110 2.189 -12.276 1.00 0.00 N ATOM 1501 CA PHE A 100 -1.575 2.001 -10.906 1.00 0.00 C ATOM 1502 C PHE A 100 -2.364 0.702 -10.774 1.00 0.00 C ATOM 1503 O PHE A 100 -2.211 -0.033 -9.798 1.00 0.00 O ATOM 1504 CB PHE A 100 -2.443 3.185 -10.473 1.00 0.00 C ATOM 1505 CG PHE A 100 -2.882 3.112 -9.039 1.00 0.00 C ATOM 1506 CD1 PHE A 100 -1.952 2.965 -8.022 1.00 0.00 C ATOM 1507 CD2 PHE A 100 -4.225 3.193 -8.707 1.00 0.00 C ATOM 1508 CE1 PHE A 100 -2.354 2.897 -6.702 1.00 0.00 C ATOM 1509 CE2 PHE A 100 -4.633 3.126 -7.388 1.00 0.00 C ATOM 1510 CZ PHE A 100 -3.696 2.979 -6.384 1.00 0.00 C ATOM 0 H PHE A 100 -1.606 2.914 -12.794 1.00 0.00 H new ATOM 0 HA PHE A 100 -0.702 1.943 -10.256 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -1.886 4.109 -10.628 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -3.324 3.233 -11.113 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -0.901 2.903 -8.264 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -4.962 3.310 -9.488 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -1.619 2.780 -5.919 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -5.683 3.189 -7.143 1.00 0.00 H new ATOM 0 HZ PHE A 100 -4.012 2.928 -5.352 1.00 0.00 H new ATOM 1520 N SER A 101 -3.210 0.426 -11.762 1.00 0.00 N ATOM 1521 CA SER A 101 -4.027 -0.782 -11.754 1.00 0.00 C ATOM 1522 C SER A 101 -3.270 -1.945 -11.121 1.00 0.00 C ATOM 1523 O SER A 101 -3.832 -2.718 -10.344 1.00 0.00 O ATOM 1524 CB SER A 101 -4.448 -1.147 -13.179 1.00 0.00 C ATOM 1525 OG SER A 101 -5.329 -2.257 -13.182 1.00 0.00 O ATOM 0 H SER A 101 -3.347 1.023 -12.578 1.00 0.00 H new ATOM 0 HA SER A 101 -4.919 -0.585 -11.159 1.00 0.00 H new ATOM 0 HB2 SER A 101 -4.934 -0.292 -13.648 1.00 0.00 H new ATOM 0 HB3 SER A 101 -3.565 -1.378 -13.775 1.00 0.00 H new ATOM 0 HG SER A 101 -5.584 -2.469 -14.104 1.00 0.00 H new ATOM 1531 N LYS A 102 -1.991 -2.065 -11.459 1.00 0.00 N ATOM 1532 CA LYS A 102 -1.154 -3.132 -10.924 1.00 0.00 C ATOM 1533 C LYS A 102 -0.972 -2.978 -9.418 1.00 0.00 C ATOM 1534 O LYS A 102 -1.281 -3.887 -8.648 1.00 0.00 O ATOM 1535 CB LYS A 102 0.211 -3.134 -11.616 1.00 0.00 C ATOM 1536 CG LYS A 102 0.156 -3.581 -13.067 1.00 0.00 C ATOM 1537 CD LYS A 102 1.304 -2.996 -13.874 1.00 0.00 C ATOM 1538 CE LYS A 102 2.557 -3.850 -13.759 1.00 0.00 C ATOM 1539 NZ LYS A 102 3.755 -3.153 -14.304 1.00 0.00 N ATOM 0 H LYS A 102 -1.511 -1.435 -12.102 1.00 0.00 H new ATOM 0 HA LYS A 102 -1.653 -4.082 -11.116 1.00 0.00 H new ATOM 0 HB2 LYS A 102 0.634 -2.131 -11.569 1.00 0.00 H new ATOM 0 HB3 LYS A 102 0.886 -3.791 -11.067 1.00 0.00 H new ATOM 0 HG2 LYS A 102 0.193 -4.669 -13.115 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -0.793 -3.275 -13.507 1.00 0.00 H new ATOM 0 HD2 LYS A 102 1.011 -2.917 -14.921 1.00 0.00 H new ATOM 0 HD3 LYS A 102 1.518 -1.986 -13.525 1.00 0.00 H new ATOM 0 HE2 LYS A 102 2.729 -4.104 -12.713 1.00 0.00 H new ATOM 0 HE3 LYS A 102 2.408 -4.788 -14.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 4.591 -3.761 -14.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 3.608 -2.948 -15.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 3.903 -2.262 -13.788 1.00 0.00 H new ATOM 1553 N VAL A 103 -0.468 -1.819 -9.003 1.00 0.00 N ATOM 1554 CA VAL A 103 -0.247 -1.545 -7.588 1.00 0.00 C ATOM 1555 C VAL A 103 -1.442 -1.985 -6.749 1.00 0.00 C ATOM 1556 O VAL A 103 -1.294 -2.735 -5.784 1.00 0.00 O ATOM 1557 CB VAL A 103 0.015 -0.047 -7.341 1.00 0.00 C ATOM 1558 CG1 VAL A 103 0.228 0.221 -5.859 1.00 0.00 C ATOM 1559 CG2 VAL A 103 1.212 0.424 -8.154 1.00 0.00 C ATOM 0 H VAL A 103 -0.205 -1.056 -9.627 1.00 0.00 H new ATOM 0 HA VAL A 103 0.633 -2.115 -7.289 1.00 0.00 H new ATOM 0 HB VAL A 103 -0.860 0.516 -7.665 1.00 0.00 H new ATOM 0 HG11 VAL A 103 0.412 1.284 -5.704 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -0.661 -0.078 -5.304 1.00 0.00 H new ATOM 0 HG13 VAL A 103 1.086 -0.351 -5.506 1.00 0.00 H new ATOM 0 HG21 VAL A 103 1.384 1.484 -7.968 1.00 0.00 H new ATOM 0 HG22 VAL A 103 2.096 -0.143 -7.862 1.00 0.00 H new ATOM 0 HG23 VAL A 103 1.015 0.269 -9.215 1.00 0.00 H new ATOM 1569 N LEU A 104 -2.626 -1.514 -7.125 1.00 0.00 N ATOM 1570 CA LEU A 104 -3.849 -1.859 -6.407 1.00 0.00 C ATOM 1571 C LEU A 104 -3.982 -3.371 -6.254 1.00 0.00 C ATOM 1572 O LEU A 104 -4.201 -3.876 -5.153 1.00 0.00 O ATOM 1573 CB LEU A 104 -5.069 -1.301 -7.142 1.00 0.00 C ATOM 1574 CG LEU A 104 -6.431 -1.640 -6.534 1.00 0.00 C ATOM 1575 CD1 LEU A 104 -6.577 -1.001 -5.162 1.00 0.00 C ATOM 1576 CD2 LEU A 104 -7.554 -1.188 -7.457 1.00 0.00 C ATOM 0 H LEU A 104 -2.765 -0.893 -7.922 1.00 0.00 H new ATOM 0 HA LEU A 104 -3.796 -1.415 -5.413 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -4.975 -0.216 -7.190 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -5.050 -1.668 -8.168 1.00 0.00 H new ATOM 0 HG LEU A 104 -6.496 -2.722 -6.417 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -7.552 -1.253 -4.745 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -5.793 -1.373 -4.502 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -6.491 0.082 -5.254 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -8.516 -1.437 -7.009 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -7.491 -0.110 -7.606 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -7.460 -1.693 -8.418 1.00 0.00 H new ATOM 1588 N SER A 105 -3.845 -4.088 -7.364 1.00 0.00 N ATOM 1589 CA SER A 105 -3.951 -5.542 -7.353 1.00 0.00 C ATOM 1590 C SER A 105 -2.965 -6.152 -6.361 1.00 0.00 C ATOM 1591 O SER A 105 -3.348 -6.921 -5.479 1.00 0.00 O ATOM 1592 CB SER A 105 -3.696 -6.104 -8.753 1.00 0.00 C ATOM 1593 OG SER A 105 -4.456 -5.410 -9.728 1.00 0.00 O ATOM 0 H SER A 105 -3.660 -3.686 -8.283 1.00 0.00 H new ATOM 0 HA SER A 105 -4.962 -5.805 -7.042 1.00 0.00 H new ATOM 0 HB2 SER A 105 -2.635 -6.027 -8.992 1.00 0.00 H new ATOM 0 HB3 SER A 105 -3.951 -7.163 -8.775 1.00 0.00 H new ATOM 0 HG SER A 105 -4.021 -4.557 -9.936 1.00 0.00 H new ATOM 1599 N THR A 106 -1.691 -5.802 -6.512 1.00 0.00 N ATOM 1600 CA THR A 106 -0.648 -6.314 -5.632 1.00 0.00 C ATOM 1601 C THR A 106 -1.127 -6.366 -4.185 1.00 0.00 C ATOM 1602 O THR A 106 -0.983 -7.386 -3.510 1.00 0.00 O ATOM 1603 CB THR A 106 0.625 -5.451 -5.708 1.00 0.00 C ATOM 1604 OG1 THR A 106 1.171 -5.499 -7.032 1.00 0.00 O ATOM 1605 CG2 THR A 106 1.666 -5.932 -4.708 1.00 0.00 C ATOM 0 H THR A 106 -1.357 -5.166 -7.236 1.00 0.00 H new ATOM 0 HA THR A 106 -0.415 -7.323 -5.972 1.00 0.00 H new ATOM 0 HB THR A 106 0.356 -4.424 -5.463 1.00 0.00 H new ATOM 0 HG1 THR A 106 0.673 -4.887 -7.614 1.00 0.00 H new ATOM 0 HG21 THR A 106 2.556 -5.307 -4.780 1.00 0.00 H new ATOM 0 HG22 THR A 106 1.258 -5.868 -3.699 1.00 0.00 H new ATOM 0 HG23 THR A 106 1.930 -6.967 -4.927 1.00 0.00 H new ATOM 1613 N LEU A 107 -1.697 -5.262 -3.716 1.00 0.00 N ATOM 1614 CA LEU A 107 -2.198 -5.182 -2.348 1.00 0.00 C ATOM 1615 C LEU A 107 -3.413 -6.085 -2.159 1.00 0.00 C ATOM 1616 O LEU A 107 -3.498 -6.833 -1.184 1.00 0.00 O ATOM 1617 CB LEU A 107 -2.563 -3.737 -2.001 1.00 0.00 C ATOM 1618 CG LEU A 107 -1.390 -2.775 -1.811 1.00 0.00 C ATOM 1619 CD1 LEU A 107 -1.868 -1.333 -1.868 1.00 0.00 C ATOM 1620 CD2 LEU A 107 -0.681 -3.053 -0.493 1.00 0.00 C ATOM 0 H LEU A 107 -1.824 -4.410 -4.262 1.00 0.00 H new ATOM 0 HA LEU A 107 -1.408 -5.522 -1.678 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -3.203 -3.345 -2.791 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -3.154 -3.743 -1.085 1.00 0.00 H new ATOM 0 HG LEU A 107 -0.680 -2.933 -2.623 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -1.019 -0.663 -1.731 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -2.329 -1.141 -2.837 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -2.598 -1.160 -1.077 1.00 0.00 H new ATOM 0 HD21 LEU A 107 0.151 -2.359 -0.374 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -1.382 -2.924 0.332 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -0.304 -4.076 -0.491 1.00 0.00 H new ATOM 1632 N LEU A 108 -4.349 -6.012 -3.099 1.00 0.00 N ATOM 1633 CA LEU A 108 -5.559 -6.825 -3.038 1.00 0.00 C ATOM 1634 C LEU A 108 -5.228 -8.265 -2.660 1.00 0.00 C ATOM 1635 O LEU A 108 -5.866 -8.849 -1.784 1.00 0.00 O ATOM 1636 CB LEU A 108 -6.286 -6.793 -4.383 1.00 0.00 C ATOM 1637 CG LEU A 108 -7.293 -5.658 -4.575 1.00 0.00 C ATOM 1638 CD1 LEU A 108 -7.757 -5.594 -6.022 1.00 0.00 C ATOM 1639 CD2 LEU A 108 -8.481 -5.835 -3.640 1.00 0.00 C ATOM 0 H LEU A 108 -4.294 -5.399 -3.912 1.00 0.00 H new ATOM 0 HA LEU A 108 -6.210 -6.408 -2.270 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -5.540 -6.728 -5.175 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -6.808 -7.741 -4.514 1.00 0.00 H new ATOM 0 HG LEU A 108 -6.800 -4.717 -4.331 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -8.473 -4.780 -6.139 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -6.899 -5.419 -6.672 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -8.232 -6.537 -6.294 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -9.187 -5.018 -3.790 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -8.973 -6.784 -3.853 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -8.135 -5.829 -2.607 1.00 0.00 H new ATOM 1651 N ALA A 109 -4.227 -8.832 -3.326 1.00 0.00 N ATOM 1652 CA ALA A 109 -3.810 -10.202 -3.056 1.00 0.00 C ATOM 1653 C ALA A 109 -3.311 -10.352 -1.623 1.00 0.00 C ATOM 1654 O ALA A 109 -3.709 -11.274 -0.910 1.00 0.00 O ATOM 1655 CB ALA A 109 -2.730 -10.628 -4.040 1.00 0.00 C ATOM 0 H ALA A 109 -3.690 -8.364 -4.056 1.00 0.00 H new ATOM 0 HA ALA A 109 -4.677 -10.851 -3.181 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -2.428 -11.653 -3.827 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -3.120 -10.568 -5.056 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -1.868 -9.968 -3.943 1.00 0.00 H new ATOM 1661 N VAL A 110 -2.437 -9.442 -1.207 1.00 0.00 N ATOM 1662 CA VAL A 110 -1.884 -9.473 0.142 1.00 0.00 C ATOM 1663 C VAL A 110 -2.990 -9.559 1.187 1.00 0.00 C ATOM 1664 O VAL A 110 -3.014 -10.476 2.006 1.00 0.00 O ATOM 1665 CB VAL A 110 -1.021 -8.229 0.424 1.00 0.00 C ATOM 1666 CG1 VAL A 110 -0.475 -8.267 1.843 1.00 0.00 C ATOM 1667 CG2 VAL A 110 0.110 -8.125 -0.588 1.00 0.00 C ATOM 0 H VAL A 110 -2.096 -8.674 -1.785 1.00 0.00 H new ATOM 0 HA VAL A 110 -1.257 -10.362 0.207 1.00 0.00 H new ATOM 0 HB VAL A 110 -1.649 -7.344 0.326 1.00 0.00 H new ATOM 0 HG11 VAL A 110 0.132 -7.380 2.023 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -1.303 -8.290 2.551 1.00 0.00 H new ATOM 0 HG13 VAL A 110 0.138 -9.159 1.973 1.00 0.00 H new ATOM 0 HG21 VAL A 110 0.710 -7.240 -0.374 1.00 0.00 H new ATOM 0 HG22 VAL A 110 0.738 -9.013 -0.524 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -0.306 -8.047 -1.592 1.00 0.00 H new ATOM 1677 N ASN A 111 -3.905 -8.595 1.153 1.00 0.00 N ATOM 1678 CA ASN A 111 -5.015 -8.561 2.098 1.00 0.00 C ATOM 1679 C ASN A 111 -5.699 -9.922 2.183 1.00 0.00 C ATOM 1680 O ASN A 111 -5.949 -10.437 3.273 1.00 0.00 O ATOM 1681 CB ASN A 111 -6.029 -7.492 1.687 1.00 0.00 C ATOM 1682 CG ASN A 111 -7.412 -7.760 2.250 1.00 0.00 C ATOM 1683 OD1 ASN A 111 -8.390 -7.847 1.507 1.00 0.00 O ATOM 1684 ND2 ASN A 111 -7.498 -7.893 3.568 1.00 0.00 N ATOM 0 H ASN A 111 -3.899 -7.827 0.481 1.00 0.00 H new ATOM 0 HA ASN A 111 -4.615 -8.314 3.081 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -5.683 -6.517 2.029 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -6.085 -7.447 0.599 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -8.402 -8.075 4.004 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -6.660 -7.813 4.144 1.00 0.00 H new ATOM 1691 N LYS A 112 -5.999 -10.500 1.025 1.00 0.00 N ATOM 1692 CA LYS A 112 -6.653 -11.802 0.966 1.00 0.00 C ATOM 1693 C LYS A 112 -5.783 -12.877 1.610 1.00 0.00 C ATOM 1694 O LYS A 112 -6.242 -13.625 2.473 1.00 0.00 O ATOM 1695 CB LYS A 112 -6.956 -12.178 -0.486 1.00 0.00 C ATOM 1696 CG LYS A 112 -8.117 -13.147 -0.634 1.00 0.00 C ATOM 1697 CD LYS A 112 -9.454 -12.444 -0.472 1.00 0.00 C ATOM 1698 CE LYS A 112 -10.558 -13.164 -1.231 1.00 0.00 C ATOM 1699 NZ LYS A 112 -10.663 -12.690 -2.639 1.00 0.00 N ATOM 0 H LYS A 112 -5.800 -10.087 0.114 1.00 0.00 H new ATOM 0 HA LYS A 112 -7.589 -11.736 1.521 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -7.177 -11.271 -1.049 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -6.065 -12.621 -0.931 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -8.072 -13.624 -1.613 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -8.029 -13.939 0.110 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -9.713 -12.391 0.586 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -9.373 -11.418 -0.832 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -10.365 -14.237 -1.222 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -11.510 -13.007 -0.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -11.426 -13.205 -3.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -10.873 -11.671 -2.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -9.763 -12.862 -3.131 1.00 0.00 H new ATOM 1713 N ALA A 113 -4.526 -12.947 1.185 1.00 0.00 N ATOM 1714 CA ALA A 113 -3.592 -13.928 1.723 1.00 0.00 C ATOM 1715 C ALA A 113 -3.512 -13.835 3.243 1.00 0.00 C ATOM 1716 O ALA A 113 -3.620 -14.842 3.944 1.00 0.00 O ATOM 1717 CB ALA A 113 -2.213 -13.737 1.108 1.00 0.00 C ATOM 0 H ALA A 113 -4.131 -12.336 0.470 1.00 0.00 H new ATOM 0 HA ALA A 113 -3.959 -14.921 1.465 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -1.526 -14.476 1.519 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -2.276 -13.862 0.027 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -1.848 -12.736 1.337 1.00 0.00 H new ATOM 1723 N THR A 114 -3.322 -12.620 3.747 1.00 0.00 N ATOM 1724 CA THR A 114 -3.226 -12.395 5.184 1.00 0.00 C ATOM 1725 C THR A 114 -4.490 -12.859 5.899 1.00 0.00 C ATOM 1726 O THR A 114 -4.421 -13.503 6.945 1.00 0.00 O ATOM 1727 CB THR A 114 -2.985 -10.908 5.506 1.00 0.00 C ATOM 1728 OG1 THR A 114 -3.992 -10.103 4.884 1.00 0.00 O ATOM 1729 CG2 THR A 114 -1.609 -10.468 5.027 1.00 0.00 C ATOM 0 H THR A 114 -3.232 -11.776 3.181 1.00 0.00 H new ATOM 0 HA THR A 114 -2.376 -12.978 5.538 1.00 0.00 H new ATOM 0 HB THR A 114 -3.035 -10.780 6.587 1.00 0.00 H new ATOM 0 HG1 THR A 114 -4.633 -10.681 4.421 1.00 0.00 H new ATOM 0 HG21 THR A 114 -1.461 -9.415 5.265 1.00 0.00 H new ATOM 0 HG22 THR A 114 -0.843 -11.064 5.524 1.00 0.00 H new ATOM 0 HG23 THR A 114 -1.536 -10.610 3.949 1.00 0.00 H new