USER MOD reduce.3.24.130724 H: found=0, std=0, add=782, rem=0, adj=22 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 X(o=0,f=0) USER MOD Single : A 13 THR OG1 : rot 140:sc= 0.147 USER MOD Single : A 17 SER OG : rot 8:sc= 0.851 USER MOD Single : A 36 LYS NZ :NH3+ -136:sc= -1.76 (180deg=-5.36!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ -132:sc= 0.0581 (180deg=0.0437) USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 46 CYS SG : rot 67:sc= -0.347 USER MOD Single : A 47 LYS NZ :NH3+ -151:sc= -2.12 (180deg=-4.42!) USER MOD Single : A 50 ASN : amide:sc= -2.25 K(o=-2.3,f=-3!) USER MOD Single : A 53 MET CE :methyl -160:sc= -1.67 (180deg=-2.65!) USER MOD Single : A 56 SER OG : rot 77:sc= -1.39 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 CYS SG : rot 110:sc= -0.173 USER MOD Single : A 65 GLN : amide:sc= -0.455 X(o=-0.46,f=-0.63) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 CYS SG : rot 90:sc= -2.26 USER MOD Single : A 72 ASN : amide:sc= -0.0916 K(o=-0.092,f=-1.6!) USER MOD Single : A 73 ASN : amide:sc= -2.27 K(o=-2.3,f=-8.5!) USER MOD Single : A 75 ASN : amide:sc= -1.92! C(o=-1.9!,f=-1.6!) USER MOD Single : A 79 LYS NZ :NH3+ -176:sc= -2.68! (180deg=-2.71!) USER MOD Single : A 81 CYS SG : rot -56:sc= -3.78 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=-0.078) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= -0.135 K(o=-0.13,f=-2.2!) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 SER OG : rot -38:sc= 1.14 USER MOD Single : A 106 THR OG1 : rot 66:sc= 1.03 USER MOD Single : A 111 ASN : amide:sc= 0.192 X(o=0.19,f=-0.28) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 THR OG1 : rot -3:sc= 0.0991 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -12.611 -1.991 -5.525 1.00 0.00 N ATOM 60 CA GLY A 7 -11.494 -2.389 -4.688 1.00 0.00 C ATOM 61 C GLY A 7 -10.824 -1.207 -4.016 1.00 0.00 C ATOM 62 O GLY A 7 -10.440 -1.285 -2.850 1.00 0.00 O ATOM 0 HA2 GLY A 7 -11.845 -3.085 -3.926 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -10.761 -2.922 -5.294 1.00 0.00 H new ATOM 66 N GLU A 8 -10.682 -0.111 -4.754 1.00 0.00 N ATOM 67 CA GLU A 8 -10.050 1.091 -4.221 1.00 0.00 C ATOM 68 C GLU A 8 -10.479 1.337 -2.777 1.00 0.00 C ATOM 69 O GLU A 8 -9.644 1.424 -1.878 1.00 0.00 O ATOM 70 CB GLU A 8 -10.404 2.305 -5.083 1.00 0.00 C ATOM 71 CG GLU A 8 -9.721 2.306 -6.441 1.00 0.00 C ATOM 72 CD GLU A 8 -8.284 2.784 -6.371 1.00 0.00 C ATOM 73 OE1 GLU A 8 -8.060 3.924 -5.913 1.00 0.00 O ATOM 74 OE2 GLU A 8 -7.383 2.019 -6.774 1.00 0.00 O ATOM 0 H GLU A 8 -10.995 -0.030 -5.721 1.00 0.00 H new ATOM 0 HA GLU A 8 -8.970 0.942 -4.241 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -11.484 2.335 -5.229 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -10.130 3.213 -4.547 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -9.745 1.298 -6.856 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -10.280 2.946 -7.124 1.00 0.00 H new ATOM 81 N GLU A 9 -11.787 1.448 -2.565 1.00 0.00 N ATOM 82 CA GLU A 9 -12.326 1.685 -1.232 1.00 0.00 C ATOM 83 C GLU A 9 -11.856 0.610 -0.256 1.00 0.00 C ATOM 84 O GLU A 9 -11.379 0.917 0.837 1.00 0.00 O ATOM 85 CB GLU A 9 -13.856 1.717 -1.274 1.00 0.00 C ATOM 86 CG GLU A 9 -14.503 1.731 0.101 1.00 0.00 C ATOM 87 CD GLU A 9 -14.705 0.338 0.664 1.00 0.00 C ATOM 88 OE1 GLU A 9 -14.927 -0.598 -0.133 1.00 0.00 O ATOM 89 OE2 GLU A 9 -14.641 0.183 1.902 1.00 0.00 O ATOM 0 H GLU A 9 -12.492 1.378 -3.299 1.00 0.00 H new ATOM 0 HA GLU A 9 -11.959 2.651 -0.886 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -14.177 2.600 -1.826 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -14.214 0.848 -1.826 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -13.882 2.309 0.785 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -15.466 2.238 0.040 1.00 0.00 H new ATOM 96 N GLN A 10 -11.995 -0.649 -0.658 1.00 0.00 N ATOM 97 CA GLN A 10 -11.586 -1.768 0.181 1.00 0.00 C ATOM 98 C GLN A 10 -10.169 -1.564 0.708 1.00 0.00 C ATOM 99 O GLN A 10 -9.906 -1.751 1.896 1.00 0.00 O ATOM 100 CB GLN A 10 -11.667 -3.078 -0.604 1.00 0.00 C ATOM 101 CG GLN A 10 -13.058 -3.691 -0.624 1.00 0.00 C ATOM 102 CD GLN A 10 -13.029 -5.200 -0.766 1.00 0.00 C ATOM 103 OE1 GLN A 10 -13.260 -5.737 -1.850 1.00 0.00 O ATOM 104 NE2 GLN A 10 -12.744 -5.893 0.330 1.00 0.00 N ATOM 0 H GLN A 10 -12.388 -0.919 -1.560 1.00 0.00 H new ATOM 0 HA GLN A 10 -12.266 -1.820 1.031 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -11.344 -2.898 -1.629 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -10.969 -3.795 -0.171 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -13.581 -3.426 0.295 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -13.628 -3.263 -1.449 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -12.559 -5.407 1.207 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -12.710 -6.912 0.295 1.00 0.00 H new ATOM 113 N ILE A 11 -9.261 -1.181 -0.183 1.00 0.00 N ATOM 114 CA ILE A 11 -7.872 -0.952 0.192 1.00 0.00 C ATOM 115 C ILE A 11 -7.746 0.248 1.125 1.00 0.00 C ATOM 116 O ILE A 11 -7.116 0.165 2.180 1.00 0.00 O ATOM 117 CB ILE A 11 -6.985 -0.721 -1.045 1.00 0.00 C ATOM 118 CG1 ILE A 11 -6.973 -1.969 -1.931 1.00 0.00 C ATOM 119 CG2 ILE A 11 -5.571 -0.351 -0.622 1.00 0.00 C ATOM 120 CD1 ILE A 11 -6.419 -3.195 -1.240 1.00 0.00 C ATOM 0 H ILE A 11 -9.463 -1.023 -1.170 1.00 0.00 H new ATOM 0 HA ILE A 11 -7.533 -1.850 0.709 1.00 0.00 H new ATOM 0 HB ILE A 11 -7.399 0.107 -1.621 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -7.990 -2.178 -2.264 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -6.381 -1.766 -2.823 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -4.956 -0.191 -1.508 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -5.596 0.563 -0.028 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -5.146 -1.159 -0.027 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -6.441 -4.041 -1.927 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -5.391 -3.005 -0.931 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -7.025 -3.424 -0.363 1.00 0.00 H new ATOM 132 N VAL A 12 -8.352 1.363 0.731 1.00 0.00 N ATOM 133 CA VAL A 12 -8.310 2.580 1.533 1.00 0.00 C ATOM 134 C VAL A 12 -8.743 2.307 2.969 1.00 0.00 C ATOM 135 O VAL A 12 -8.026 2.629 3.918 1.00 0.00 O ATOM 136 CB VAL A 12 -9.213 3.677 0.937 1.00 0.00 C ATOM 137 CG1 VAL A 12 -9.317 4.859 1.888 1.00 0.00 C ATOM 138 CG2 VAL A 12 -8.687 4.119 -0.421 1.00 0.00 C ATOM 0 H VAL A 12 -8.878 1.449 -0.139 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.277 2.927 1.527 1.00 0.00 H new ATOM 0 HB VAL A 12 -10.213 3.265 0.798 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -9.959 5.623 1.450 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -9.742 4.528 2.835 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -8.324 5.275 2.062 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -9.336 4.894 -0.828 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -7.677 4.513 -0.309 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -8.670 3.266 -1.100 1.00 0.00 H new ATOM 148 N THR A 13 -9.921 1.710 3.123 1.00 0.00 N ATOM 149 CA THR A 13 -10.450 1.394 4.444 1.00 0.00 C ATOM 150 C THR A 13 -9.609 0.324 5.131 1.00 0.00 C ATOM 151 O THR A 13 -9.454 0.333 6.352 1.00 0.00 O ATOM 152 CB THR A 13 -11.910 0.910 4.363 1.00 0.00 C ATOM 153 OG1 THR A 13 -12.721 1.904 3.727 1.00 0.00 O ATOM 154 CG2 THR A 13 -12.459 0.611 5.749 1.00 0.00 C ATOM 0 H THR A 13 -10.527 1.436 2.349 1.00 0.00 H new ATOM 0 HA THR A 13 -10.412 2.313 5.028 1.00 0.00 H new ATOM 0 HB THR A 13 -11.933 -0.008 3.775 1.00 0.00 H new ATOM 0 HG1 THR A 13 -13.362 1.468 3.127 1.00 0.00 H new ATOM 0 HG21 THR A 13 -13.491 0.271 5.666 1.00 0.00 H new ATOM 0 HG22 THR A 13 -11.857 -0.167 6.219 1.00 0.00 H new ATOM 0 HG23 THR A 13 -12.423 1.515 6.358 1.00 0.00 H new ATOM 162 N TRP A 14 -9.069 -0.596 4.340 1.00 0.00 N ATOM 163 CA TRP A 14 -8.243 -1.673 4.873 1.00 0.00 C ATOM 164 C TRP A 14 -6.976 -1.120 5.516 1.00 0.00 C ATOM 165 O TRP A 14 -6.641 -1.467 6.650 1.00 0.00 O ATOM 166 CB TRP A 14 -7.878 -2.661 3.764 1.00 0.00 C ATOM 167 CG TRP A 14 -6.996 -3.779 4.231 1.00 0.00 C ATOM 168 CD1 TRP A 14 -7.128 -4.500 5.384 1.00 0.00 C ATOM 169 CD2 TRP A 14 -5.847 -4.304 3.557 1.00 0.00 C ATOM 170 NE1 TRP A 14 -6.130 -5.440 5.467 1.00 0.00 N ATOM 171 CE2 TRP A 14 -5.332 -5.341 4.358 1.00 0.00 C ATOM 172 CE3 TRP A 14 -5.205 -3.999 2.354 1.00 0.00 C ATOM 173 CZ2 TRP A 14 -4.204 -6.072 3.994 1.00 0.00 C ATOM 174 CZ3 TRP A 14 -4.086 -4.725 1.994 1.00 0.00 C ATOM 175 CH2 TRP A 14 -3.595 -5.753 2.811 1.00 0.00 C ATOM 0 H TRP A 14 -9.188 -0.618 3.327 1.00 0.00 H new ATOM 0 HA TRP A 14 -8.819 -2.194 5.638 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -8.793 -3.080 3.345 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -7.376 -2.124 2.959 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -7.903 -4.353 6.122 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -6.004 -6.104 6.231 1.00 0.00 H new ATOM 0 HE3 TRP A 14 -5.577 -3.210 1.717 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -3.823 -6.863 4.623 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 -3.581 -4.497 1.067 1.00 0.00 H new ATOM 0 HH2 TRP A 14 -2.719 -6.304 2.501 1.00 0.00 H new ATOM 186 N LEU A 15 -6.276 -0.258 4.787 1.00 0.00 N ATOM 187 CA LEU A 15 -5.045 0.343 5.287 1.00 0.00 C ATOM 188 C LEU A 15 -5.293 1.083 6.598 1.00 0.00 C ATOM 189 O LEU A 15 -4.590 0.869 7.586 1.00 0.00 O ATOM 190 CB LEU A 15 -4.465 1.304 4.248 1.00 0.00 C ATOM 191 CG LEU A 15 -3.927 0.664 2.968 1.00 0.00 C ATOM 192 CD1 LEU A 15 -3.679 1.723 1.905 1.00 0.00 C ATOM 193 CD2 LEU A 15 -2.651 -0.114 3.256 1.00 0.00 C ATOM 0 H LEU A 15 -6.540 0.040 3.848 1.00 0.00 H new ATOM 0 HA LEU A 15 -4.329 -0.457 5.473 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -5.239 2.021 3.974 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -3.658 1.868 4.715 1.00 0.00 H new ATOM 0 HG LEU A 15 -4.676 -0.032 2.590 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.296 1.249 1.001 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -4.613 2.236 1.678 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.949 2.444 2.273 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.282 -0.563 2.334 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.896 0.562 3.658 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -2.860 -0.899 3.983 1.00 0.00 H new ATOM 205 N ILE A 16 -6.299 1.951 6.599 1.00 0.00 N ATOM 206 CA ILE A 16 -6.643 2.720 7.789 1.00 0.00 C ATOM 207 C ILE A 16 -6.979 1.801 8.959 1.00 0.00 C ATOM 208 O ILE A 16 -6.393 1.910 10.036 1.00 0.00 O ATOM 209 CB ILE A 16 -7.836 3.658 7.529 1.00 0.00 C ATOM 210 CG1 ILE A 16 -7.525 4.602 6.365 1.00 0.00 C ATOM 211 CG2 ILE A 16 -8.172 4.449 8.784 1.00 0.00 C ATOM 212 CD1 ILE A 16 -8.745 5.316 5.824 1.00 0.00 C ATOM 0 H ILE A 16 -6.890 2.139 5.789 1.00 0.00 H new ATOM 0 HA ILE A 16 -5.768 3.320 8.040 1.00 0.00 H new ATOM 0 HB ILE A 16 -8.703 3.054 7.262 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -6.796 5.343 6.693 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -7.060 4.033 5.560 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -9.017 5.107 8.584 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -8.430 3.761 9.589 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -7.309 5.046 9.080 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -8.450 5.968 5.002 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -9.467 4.582 5.465 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -9.198 5.913 6.616 1.00 0.00 H new ATOM 224 N SER A 17 -7.926 0.894 8.739 1.00 0.00 N ATOM 225 CA SER A 17 -8.342 -0.043 9.775 1.00 0.00 C ATOM 226 C SER A 17 -7.132 -0.707 10.425 1.00 0.00 C ATOM 227 O SER A 17 -7.154 -1.041 11.610 1.00 0.00 O ATOM 228 CB SER A 17 -9.268 -1.109 9.186 1.00 0.00 C ATOM 229 OG SER A 17 -8.698 -1.696 8.029 1.00 0.00 O ATOM 0 H SER A 17 -8.419 0.789 7.852 1.00 0.00 H new ATOM 0 HA SER A 17 -8.882 0.515 10.540 1.00 0.00 H new ATOM 0 HB2 SER A 17 -9.461 -1.880 9.932 1.00 0.00 H new ATOM 0 HB3 SER A 17 -10.230 -0.661 8.935 1.00 0.00 H new ATOM 0 HG SER A 17 -7.778 -1.378 7.920 1.00 0.00 H new ATOM 235 N LEU A 18 -6.076 -0.895 9.641 1.00 0.00 N ATOM 236 CA LEU A 18 -4.855 -1.519 10.139 1.00 0.00 C ATOM 237 C LEU A 18 -4.071 -0.554 11.023 1.00 0.00 C ATOM 238 O LEU A 18 -3.577 -0.930 12.085 1.00 0.00 O ATOM 239 CB LEU A 18 -3.982 -1.981 8.970 1.00 0.00 C ATOM 240 CG LEU A 18 -4.342 -3.335 8.359 1.00 0.00 C ATOM 241 CD1 LEU A 18 -3.622 -3.531 7.034 1.00 0.00 C ATOM 242 CD2 LEU A 18 -4.003 -4.463 9.323 1.00 0.00 C ATOM 0 H LEU A 18 -6.041 -0.624 8.658 1.00 0.00 H new ATOM 0 HA LEU A 18 -5.137 -2.384 10.739 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -4.031 -1.226 8.185 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.947 -2.021 9.309 1.00 0.00 H new ATOM 0 HG LEU A 18 -5.416 -3.353 8.173 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.890 -4.500 6.614 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.914 -2.742 6.341 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.545 -3.492 7.196 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -4.266 -5.419 8.871 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.935 -4.446 9.541 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.565 -4.332 10.248 1.00 0.00 H new ATOM 254 N GLY A 19 -3.964 0.695 10.578 1.00 0.00 N ATOM 255 CA GLY A 19 -3.242 1.695 11.341 1.00 0.00 C ATOM 256 C GLY A 19 -2.061 2.265 10.580 1.00 0.00 C ATOM 257 O GLY A 19 -1.035 2.600 11.172 1.00 0.00 O ATOM 0 H GLY A 19 -4.365 1.031 9.702 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -3.922 2.504 11.609 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -2.890 1.252 12.273 1.00 0.00 H new ATOM 261 N VAL A 20 -2.204 2.373 9.263 1.00 0.00 N ATOM 262 CA VAL A 20 -1.141 2.905 8.419 1.00 0.00 C ATOM 263 C VAL A 20 -1.603 4.152 7.675 1.00 0.00 C ATOM 264 O VAL A 20 -0.804 5.041 7.375 1.00 0.00 O ATOM 265 CB VAL A 20 -0.659 1.859 7.397 1.00 0.00 C ATOM 266 CG1 VAL A 20 -0.036 0.666 8.106 1.00 0.00 C ATOM 267 CG2 VAL A 20 -1.810 1.417 6.505 1.00 0.00 C ATOM 0 H VAL A 20 -3.046 2.099 8.757 1.00 0.00 H new ATOM 0 HA VAL A 20 -0.313 3.165 9.079 1.00 0.00 H new ATOM 0 HB VAL A 20 0.105 2.317 6.768 1.00 0.00 H new ATOM 0 HG11 VAL A 20 0.299 -0.062 7.367 1.00 0.00 H new ATOM 0 HG12 VAL A 20 0.816 0.999 8.699 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -0.775 0.205 8.761 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.452 0.678 5.789 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -2.597 0.977 7.118 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.207 2.279 5.969 1.00 0.00 H new ATOM 277 N LEU A 21 -2.896 4.213 7.379 1.00 0.00 N ATOM 278 CA LEU A 21 -3.466 5.353 6.669 1.00 0.00 C ATOM 279 C LEU A 21 -4.390 6.156 7.580 1.00 0.00 C ATOM 280 O LEU A 21 -5.098 5.591 8.413 1.00 0.00 O ATOM 281 CB LEU A 21 -4.235 4.878 5.435 1.00 0.00 C ATOM 282 CG LEU A 21 -4.832 5.975 4.552 1.00 0.00 C ATOM 283 CD1 LEU A 21 -3.730 6.759 3.857 1.00 0.00 C ATOM 284 CD2 LEU A 21 -5.789 5.377 3.532 1.00 0.00 C ATOM 0 H LEU A 21 -3.570 3.486 7.620 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.647 5.999 6.353 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.565 4.273 4.825 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.043 4.225 5.764 1.00 0.00 H new ATOM 0 HG LEU A 21 -5.393 6.661 5.187 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -4.173 7.535 3.233 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.084 7.219 4.605 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.141 6.085 3.234 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.204 6.172 2.913 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.252 4.668 2.901 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -6.597 4.861 4.050 1.00 0.00 H new ATOM 296 N GLU A 22 -4.377 7.474 7.413 1.00 0.00 N ATOM 297 CA GLU A 22 -5.215 8.354 8.220 1.00 0.00 C ATOM 298 C GLU A 22 -6.687 8.197 7.846 1.00 0.00 C ATOM 299 O GLU A 22 -7.021 7.534 6.864 1.00 0.00 O ATOM 300 CB GLU A 22 -4.785 9.811 8.040 1.00 0.00 C ATOM 301 CG GLU A 22 -3.690 10.245 9.001 1.00 0.00 C ATOM 302 CD GLU A 22 -4.047 9.979 10.450 1.00 0.00 C ATOM 303 OE1 GLU A 22 -5.015 10.593 10.946 1.00 0.00 O ATOM 304 OE2 GLU A 22 -3.358 9.156 11.089 1.00 0.00 O ATOM 0 H GLU A 22 -3.796 7.956 6.727 1.00 0.00 H new ATOM 0 HA GLU A 22 -5.091 8.073 9.266 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -4.437 9.955 7.017 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -5.653 10.457 8.175 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.767 9.719 8.756 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.496 11.309 8.868 1.00 0.00 H new ATOM 436 N PRO A 31 -10.835 8.241 -5.112 1.00 0.00 N ATOM 437 CA PRO A 31 -9.830 7.450 -4.394 1.00 0.00 C ATOM 438 C PRO A 31 -8.637 7.092 -5.274 1.00 0.00 C ATOM 439 O PRO A 31 -7.509 6.991 -4.794 1.00 0.00 O ATOM 440 CB PRO A 31 -10.595 6.187 -3.990 1.00 0.00 C ATOM 441 CG PRO A 31 -11.690 6.071 -4.994 1.00 0.00 C ATOM 442 CD PRO A 31 -12.071 7.479 -5.357 1.00 0.00 C ATOM 0 HA PRO A 31 -9.407 7.997 -3.551 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -9.948 5.310 -4.006 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -10.992 6.271 -2.979 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -11.357 5.518 -5.872 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -12.542 5.530 -4.581 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -12.390 7.554 -6.397 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -12.896 7.843 -4.744 1.00 0.00 H new ATOM 450 N GLU A 32 -8.896 6.901 -6.564 1.00 0.00 N ATOM 451 CA GLU A 32 -7.842 6.554 -7.510 1.00 0.00 C ATOM 452 C GLU A 32 -6.614 7.436 -7.305 1.00 0.00 C ATOM 453 O GLU A 32 -5.500 6.939 -7.145 1.00 0.00 O ATOM 454 CB GLU A 32 -8.349 6.694 -8.947 1.00 0.00 C ATOM 455 CG GLU A 32 -7.352 6.224 -9.993 1.00 0.00 C ATOM 456 CD GLU A 32 -7.946 6.180 -11.388 1.00 0.00 C ATOM 457 OE1 GLU A 32 -8.950 6.882 -11.628 1.00 0.00 O ATOM 458 OE2 GLU A 32 -7.406 5.443 -12.239 1.00 0.00 O ATOM 0 H GLU A 32 -9.825 6.981 -6.977 1.00 0.00 H new ATOM 0 HA GLU A 32 -7.557 5.517 -7.332 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -9.272 6.124 -9.055 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -8.596 7.739 -9.136 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -6.488 6.889 -9.991 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -6.991 5.231 -9.725 1.00 0.00 H new ATOM 465 N GLU A 33 -6.827 8.749 -7.312 1.00 0.00 N ATOM 466 CA GLU A 33 -5.737 9.700 -7.129 1.00 0.00 C ATOM 467 C GLU A 33 -5.204 9.647 -5.700 1.00 0.00 C ATOM 468 O GLU A 33 -4.002 9.493 -5.479 1.00 0.00 O ATOM 469 CB GLU A 33 -6.209 11.118 -7.456 1.00 0.00 C ATOM 470 CG GLU A 33 -6.288 11.405 -8.946 1.00 0.00 C ATOM 471 CD GLU A 33 -7.536 10.828 -9.585 1.00 0.00 C ATOM 472 OE1 GLU A 33 -7.590 9.594 -9.772 1.00 0.00 O ATOM 473 OE2 GLU A 33 -8.458 11.609 -9.899 1.00 0.00 O ATOM 0 H GLU A 33 -7.744 9.177 -7.442 1.00 0.00 H new ATOM 0 HA GLU A 33 -4.931 9.426 -7.810 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -7.192 11.276 -7.012 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -5.530 11.834 -6.992 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -6.267 12.483 -9.106 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -5.408 10.992 -9.439 1.00 0.00 H new ATOM 480 N PHE A 34 -6.106 9.775 -4.733 1.00 0.00 N ATOM 481 CA PHE A 34 -5.727 9.743 -3.325 1.00 0.00 C ATOM 482 C PHE A 34 -4.744 8.609 -3.052 1.00 0.00 C ATOM 483 O PHE A 34 -3.594 8.845 -2.678 1.00 0.00 O ATOM 484 CB PHE A 34 -6.968 9.581 -2.444 1.00 0.00 C ATOM 485 CG PHE A 34 -6.673 9.657 -0.973 1.00 0.00 C ATOM 486 CD1 PHE A 34 -6.395 10.873 -0.371 1.00 0.00 C ATOM 487 CD2 PHE A 34 -6.675 8.512 -0.193 1.00 0.00 C ATOM 488 CE1 PHE A 34 -6.123 10.946 0.982 1.00 0.00 C ATOM 489 CE2 PHE A 34 -6.404 8.579 1.161 1.00 0.00 C ATOM 490 CZ PHE A 34 -6.128 9.797 1.749 1.00 0.00 C ATOM 0 H PHE A 34 -7.104 9.902 -4.898 1.00 0.00 H new ATOM 0 HA PHE A 34 -5.240 10.688 -3.084 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -7.691 10.355 -2.702 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -7.437 8.622 -2.663 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -6.391 11.774 -0.966 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -6.891 7.556 -0.648 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -5.907 11.900 1.439 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -6.408 7.679 1.758 1.00 0.00 H new ATOM 0 HZ PHE A 34 -5.916 9.852 2.807 1.00 0.00 H new ATOM 500 N LEU A 35 -5.204 7.377 -3.240 1.00 0.00 N ATOM 501 CA LEU A 35 -4.366 6.205 -3.014 1.00 0.00 C ATOM 502 C LEU A 35 -2.986 6.393 -3.638 1.00 0.00 C ATOM 503 O LEU A 35 -1.968 6.342 -2.947 1.00 0.00 O ATOM 504 CB LEU A 35 -5.034 4.957 -3.594 1.00 0.00 C ATOM 505 CG LEU A 35 -6.045 4.254 -2.687 1.00 0.00 C ATOM 506 CD1 LEU A 35 -6.943 3.335 -3.500 1.00 0.00 C ATOM 507 CD2 LEU A 35 -5.328 3.473 -1.595 1.00 0.00 C ATOM 0 H LEU A 35 -6.153 7.164 -3.548 1.00 0.00 H new ATOM 0 HA LEU A 35 -4.244 6.078 -1.938 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -5.538 5.236 -4.519 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -4.255 4.242 -3.859 1.00 0.00 H new ATOM 0 HG LEU A 35 -6.669 5.012 -2.214 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -7.656 2.844 -2.838 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -7.483 3.920 -4.245 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -6.335 2.582 -4.001 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -6.062 2.979 -0.959 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.679 2.724 -2.049 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -4.728 4.156 -0.994 1.00 0.00 H new ATOM 519 N LYS A 36 -2.960 6.613 -4.948 1.00 0.00 N ATOM 520 CA LYS A 36 -1.707 6.812 -5.666 1.00 0.00 C ATOM 521 C LYS A 36 -0.848 7.868 -4.977 1.00 0.00 C ATOM 522 O LYS A 36 0.371 7.725 -4.882 1.00 0.00 O ATOM 523 CB LYS A 36 -1.984 7.229 -7.112 1.00 0.00 C ATOM 524 CG LYS A 36 -2.842 6.236 -7.877 1.00 0.00 C ATOM 525 CD LYS A 36 -3.643 6.920 -8.972 1.00 0.00 C ATOM 526 CE LYS A 36 -2.825 7.080 -10.244 1.00 0.00 C ATOM 527 NZ LYS A 36 -2.925 5.882 -11.123 1.00 0.00 N ATOM 0 H LYS A 36 -3.793 6.658 -5.534 1.00 0.00 H new ATOM 0 HA LYS A 36 -1.163 5.868 -5.665 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -2.479 8.200 -7.113 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -1.035 7.354 -7.634 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.206 5.467 -8.316 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -3.521 5.734 -7.188 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -4.540 6.338 -9.186 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -3.973 7.899 -8.625 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -3.169 7.959 -10.788 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -1.781 7.254 -9.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -1.981 5.636 -11.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -3.306 5.082 -10.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -3.558 6.089 -11.922 1.00 0.00 H new ATOM 541 N SER A 37 -1.491 8.928 -4.498 1.00 0.00 N ATOM 542 CA SER A 37 -0.786 10.009 -3.820 1.00 0.00 C ATOM 543 C SER A 37 -0.193 9.526 -2.499 1.00 0.00 C ATOM 544 O SER A 37 0.906 9.927 -2.117 1.00 0.00 O ATOM 545 CB SER A 37 -1.731 11.185 -3.568 1.00 0.00 C ATOM 546 OG SER A 37 -1.877 11.980 -4.732 1.00 0.00 O ATOM 0 H SER A 37 -2.500 9.061 -4.567 1.00 0.00 H new ATOM 0 HA SER A 37 0.028 10.339 -4.465 1.00 0.00 H new ATOM 0 HB2 SER A 37 -2.706 10.812 -3.254 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.346 11.797 -2.752 1.00 0.00 H new ATOM 0 HG SER A 37 -2.487 12.724 -4.546 1.00 0.00 H new ATOM 552 N SER A 38 -0.930 8.664 -1.807 1.00 0.00 N ATOM 553 CA SER A 38 -0.481 8.129 -0.527 1.00 0.00 C ATOM 554 C SER A 38 0.626 7.098 -0.728 1.00 0.00 C ATOM 555 O SER A 38 1.746 7.271 -0.246 1.00 0.00 O ATOM 556 CB SER A 38 -1.653 7.496 0.225 1.00 0.00 C ATOM 557 OG SER A 38 -2.470 8.487 0.823 1.00 0.00 O ATOM 0 H SER A 38 -1.841 8.321 -2.111 1.00 0.00 H new ATOM 0 HA SER A 38 -0.083 8.954 0.064 1.00 0.00 H new ATOM 0 HB2 SER A 38 -2.249 6.896 -0.463 1.00 0.00 H new ATOM 0 HB3 SER A 38 -1.275 6.821 0.992 1.00 0.00 H new ATOM 0 HG SER A 38 -3.213 8.057 1.296 1.00 0.00 H new ATOM 563 N LEU A 39 0.304 6.026 -1.442 1.00 0.00 N ATOM 564 CA LEU A 39 1.270 4.965 -1.708 1.00 0.00 C ATOM 565 C LEU A 39 2.550 5.533 -2.313 1.00 0.00 C ATOM 566 O LEU A 39 3.653 5.101 -1.979 1.00 0.00 O ATOM 567 CB LEU A 39 0.666 3.922 -2.650 1.00 0.00 C ATOM 568 CG LEU A 39 -0.698 3.362 -2.245 1.00 0.00 C ATOM 569 CD1 LEU A 39 -1.369 2.683 -3.429 1.00 0.00 C ATOM 570 CD2 LEU A 39 -0.552 2.391 -1.083 1.00 0.00 C ATOM 0 H LEU A 39 -0.618 5.868 -1.848 1.00 0.00 H new ATOM 0 HA LEU A 39 1.519 4.488 -0.760 1.00 0.00 H new ATOM 0 HB2 LEU A 39 0.574 4.367 -3.641 1.00 0.00 H new ATOM 0 HB3 LEU A 39 1.366 3.091 -2.737 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.329 4.191 -1.923 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.338 2.291 -3.122 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -1.508 3.406 -4.232 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.742 1.865 -3.783 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.533 2.002 -0.808 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.096 1.566 -1.378 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.114 2.908 -0.229 1.00 0.00 H new ATOM 582 N LYS A 40 2.395 6.506 -3.204 1.00 0.00 N ATOM 583 CA LYS A 40 3.538 7.138 -3.855 1.00 0.00 C ATOM 584 C LYS A 40 4.724 7.229 -2.901 1.00 0.00 C ATOM 585 O LYS A 40 5.757 6.596 -3.117 1.00 0.00 O ATOM 586 CB LYS A 40 3.160 8.535 -4.351 1.00 0.00 C ATOM 587 CG LYS A 40 4.340 9.333 -4.877 1.00 0.00 C ATOM 588 CD LYS A 40 4.025 10.818 -4.940 1.00 0.00 C ATOM 589 CE LYS A 40 5.092 11.582 -5.709 1.00 0.00 C ATOM 590 NZ LYS A 40 4.821 11.591 -7.173 1.00 0.00 N ATOM 0 H LYS A 40 1.489 6.875 -3.493 1.00 0.00 H new ATOM 0 HA LYS A 40 3.826 6.523 -4.707 1.00 0.00 H new ATOM 0 HB2 LYS A 40 2.414 8.442 -5.140 1.00 0.00 H new ATOM 0 HB3 LYS A 40 2.693 9.087 -3.535 1.00 0.00 H new ATOM 0 HG2 LYS A 40 5.206 9.171 -4.235 1.00 0.00 H new ATOM 0 HG3 LYS A 40 4.609 8.975 -5.871 1.00 0.00 H new ATOM 0 HD2 LYS A 40 3.056 10.966 -5.416 1.00 0.00 H new ATOM 0 HD3 LYS A 40 3.947 11.218 -3.929 1.00 0.00 H new ATOM 0 HE2 LYS A 40 5.140 12.607 -5.342 1.00 0.00 H new ATOM 0 HE3 LYS A 40 6.067 11.131 -5.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 5.687 11.333 -7.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 4.071 10.905 -7.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 4.516 12.542 -7.464 1.00 0.00 H new ATOM 604 N ASN A 41 4.569 8.021 -1.845 1.00 0.00 N ATOM 605 CA ASN A 41 5.628 8.194 -0.857 1.00 0.00 C ATOM 606 C ASN A 41 6.353 6.876 -0.600 1.00 0.00 C ATOM 607 O ASN A 41 7.582 6.830 -0.556 1.00 0.00 O ATOM 608 CB ASN A 41 5.050 8.735 0.452 1.00 0.00 C ATOM 609 CG ASN A 41 4.911 10.245 0.443 1.00 0.00 C ATOM 610 OD1 ASN A 41 4.605 10.845 -0.588 1.00 0.00 O ATOM 611 ND2 ASN A 41 5.137 10.867 1.594 1.00 0.00 N ATOM 0 H ASN A 41 3.721 8.553 -1.651 1.00 0.00 H new ATOM 0 HA ASN A 41 6.346 8.912 -1.253 1.00 0.00 H new ATOM 0 HB2 ASN A 41 4.073 8.284 0.628 1.00 0.00 H new ATOM 0 HB3 ASN A 41 5.693 8.437 1.280 1.00 0.00 H new ATOM 0 HD21 ASN A 41 5.059 11.883 1.649 1.00 0.00 H new ATOM 0 HD22 ASN A 41 5.388 10.329 2.424 1.00 0.00 H new ATOM 618 N GLY A 42 5.582 5.806 -0.431 1.00 0.00 N ATOM 619 CA GLY A 42 6.168 4.502 -0.181 1.00 0.00 C ATOM 620 C GLY A 42 6.119 4.116 1.284 1.00 0.00 C ATOM 621 O GLY A 42 5.896 2.953 1.620 1.00 0.00 O ATOM 0 H GLY A 42 4.563 5.819 -0.463 1.00 0.00 H new ATOM 0 HA2 GLY A 42 5.640 3.751 -0.769 1.00 0.00 H new ATOM 0 HA3 GLY A 42 7.204 4.502 -0.519 1.00 0.00 H new ATOM 625 N VAL A 43 6.331 5.094 2.160 1.00 0.00 N ATOM 626 CA VAL A 43 6.312 4.851 3.597 1.00 0.00 C ATOM 627 C VAL A 43 5.022 4.155 4.019 1.00 0.00 C ATOM 628 O VAL A 43 5.043 3.214 4.813 1.00 0.00 O ATOM 629 CB VAL A 43 6.457 6.163 4.390 1.00 0.00 C ATOM 630 CG1 VAL A 43 5.411 7.174 3.947 1.00 0.00 C ATOM 631 CG2 VAL A 43 6.353 5.896 5.884 1.00 0.00 C ATOM 0 H VAL A 43 6.518 6.062 1.899 1.00 0.00 H new ATOM 0 HA VAL A 43 7.161 4.205 3.820 1.00 0.00 H new ATOM 0 HB VAL A 43 7.442 6.583 4.186 1.00 0.00 H new ATOM 0 HG11 VAL A 43 5.530 8.094 4.519 1.00 0.00 H new ATOM 0 HG12 VAL A 43 5.538 7.387 2.886 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.415 6.766 4.119 1.00 0.00 H new ATOM 0 HG21 VAL A 43 6.458 6.834 6.429 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.383 5.452 6.108 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.144 5.210 6.187 1.00 0.00 H new ATOM 641 N VAL A 44 3.900 4.624 3.482 1.00 0.00 N ATOM 642 CA VAL A 44 2.600 4.046 3.801 1.00 0.00 C ATOM 643 C VAL A 44 2.601 2.537 3.583 1.00 0.00 C ATOM 644 O VAL A 44 2.090 1.779 4.408 1.00 0.00 O ATOM 645 CB VAL A 44 1.482 4.676 2.950 1.00 0.00 C ATOM 646 CG1 VAL A 44 0.186 3.896 3.108 1.00 0.00 C ATOM 647 CG2 VAL A 44 1.284 6.136 3.329 1.00 0.00 C ATOM 0 H VAL A 44 3.865 5.403 2.824 1.00 0.00 H new ATOM 0 HA VAL A 44 2.409 4.258 4.853 1.00 0.00 H new ATOM 0 HB VAL A 44 1.779 4.632 1.902 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -0.592 4.356 2.499 1.00 0.00 H new ATOM 0 HG12 VAL A 44 0.339 2.867 2.784 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -0.119 3.905 4.154 1.00 0.00 H new ATOM 0 HG21 VAL A 44 0.490 6.566 2.718 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.009 6.205 4.382 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.210 6.685 3.159 1.00 0.00 H new ATOM 657 N LEU A 45 3.178 2.107 2.466 1.00 0.00 N ATOM 658 CA LEU A 45 3.246 0.687 2.138 1.00 0.00 C ATOM 659 C LEU A 45 4.124 -0.061 3.137 1.00 0.00 C ATOM 660 O LEU A 45 3.777 -1.153 3.588 1.00 0.00 O ATOM 661 CB LEU A 45 3.789 0.496 0.721 1.00 0.00 C ATOM 662 CG LEU A 45 2.823 0.825 -0.418 1.00 0.00 C ATOM 663 CD1 LEU A 45 3.586 1.303 -1.643 1.00 0.00 C ATOM 664 CD2 LEU A 45 1.969 -0.388 -0.758 1.00 0.00 C ATOM 0 H LEU A 45 3.605 2.721 1.773 1.00 0.00 H new ATOM 0 HA LEU A 45 2.237 0.278 2.192 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.678 1.116 0.607 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.108 -0.541 0.612 1.00 0.00 H new ATOM 0 HG LEU A 45 2.164 1.629 -0.090 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.882 1.532 -2.443 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.154 2.199 -1.391 1.00 0.00 H new ATOM 0 HD13 LEU A 45 4.269 0.521 -1.974 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.287 -0.137 -1.570 1.00 0.00 H new ATOM 0 HD22 LEU A 45 2.613 -1.212 -1.066 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.394 -0.686 0.119 1.00 0.00 H new ATOM 676 N CYS A 46 5.261 0.535 3.479 1.00 0.00 N ATOM 677 CA CYS A 46 6.188 -0.074 4.426 1.00 0.00 C ATOM 678 C CYS A 46 5.504 -0.341 5.762 1.00 0.00 C ATOM 679 O CYS A 46 5.775 -1.345 6.422 1.00 0.00 O ATOM 680 CB CYS A 46 7.404 0.830 4.634 1.00 0.00 C ATOM 681 SG CYS A 46 8.733 0.566 3.436 1.00 0.00 S ATOM 0 H CYS A 46 5.563 1.439 3.115 1.00 0.00 H new ATOM 0 HA CYS A 46 6.518 -1.026 4.011 1.00 0.00 H new ATOM 0 HB2 CYS A 46 7.083 1.870 4.581 1.00 0.00 H new ATOM 0 HB3 CYS A 46 7.797 0.668 5.638 1.00 0.00 H new ATOM 0 HG CYS A 46 8.333 0.935 2.256 1.00 0.00 H new ATOM 687 N LYS A 47 4.616 0.565 6.158 1.00 0.00 N ATOM 688 CA LYS A 47 3.892 0.429 7.416 1.00 0.00 C ATOM 689 C LYS A 47 2.906 -0.733 7.354 1.00 0.00 C ATOM 690 O LYS A 47 2.659 -1.406 8.356 1.00 0.00 O ATOM 691 CB LYS A 47 3.148 1.726 7.743 1.00 0.00 C ATOM 692 CG LYS A 47 4.060 2.933 7.881 1.00 0.00 C ATOM 693 CD LYS A 47 3.471 3.972 8.820 1.00 0.00 C ATOM 694 CE LYS A 47 4.466 5.083 9.116 1.00 0.00 C ATOM 695 NZ LYS A 47 4.355 6.202 8.139 1.00 0.00 N ATOM 0 H LYS A 47 4.380 1.402 5.625 1.00 0.00 H new ATOM 0 HA LYS A 47 4.618 0.225 8.203 1.00 0.00 H new ATOM 0 HB2 LYS A 47 2.416 1.922 6.960 1.00 0.00 H new ATOM 0 HB3 LYS A 47 2.593 1.592 8.672 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.033 2.614 8.254 1.00 0.00 H new ATOM 0 HG3 LYS A 47 4.225 3.379 6.900 1.00 0.00 H new ATOM 0 HD2 LYS A 47 2.571 4.397 8.376 1.00 0.00 H new ATOM 0 HD3 LYS A 47 3.171 3.493 9.752 1.00 0.00 H new ATOM 0 HE2 LYS A 47 4.297 5.463 10.124 1.00 0.00 H new ATOM 0 HE3 LYS A 47 5.478 4.680 9.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 5.280 6.667 8.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 4.052 5.829 7.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 3.656 6.893 8.480 1.00 0.00 H new ATOM 709 N LEU A 48 2.347 -0.966 6.172 1.00 0.00 N ATOM 710 CA LEU A 48 1.389 -2.049 5.978 1.00 0.00 C ATOM 711 C LEU A 48 2.043 -3.405 6.225 1.00 0.00 C ATOM 712 O LEU A 48 1.806 -4.041 7.252 1.00 0.00 O ATOM 713 CB LEU A 48 0.811 -1.998 4.563 1.00 0.00 C ATOM 714 CG LEU A 48 -0.042 -3.196 4.143 1.00 0.00 C ATOM 715 CD1 LEU A 48 -1.231 -3.358 5.077 1.00 0.00 C ATOM 716 CD2 LEU A 48 -0.510 -3.039 2.703 1.00 0.00 C ATOM 0 H LEU A 48 2.541 -0.419 5.333 1.00 0.00 H new ATOM 0 HA LEU A 48 0.581 -1.920 6.698 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.205 -1.096 4.472 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.637 -1.900 3.858 1.00 0.00 H new ATOM 0 HG LEU A 48 0.571 -4.095 4.209 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -1.826 -4.215 4.763 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -0.875 -3.517 6.095 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -1.845 -2.458 5.044 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -1.115 -3.900 2.421 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.106 -2.131 2.611 1.00 0.00 H new ATOM 0 HD23 LEU A 48 0.356 -2.973 2.044 1.00 0.00 H new ATOM 728 N ILE A 49 2.867 -3.839 5.278 1.00 0.00 N ATOM 729 CA ILE A 49 3.558 -5.117 5.394 1.00 0.00 C ATOM 730 C ILE A 49 4.067 -5.340 6.815 1.00 0.00 C ATOM 731 O ILE A 49 4.038 -6.458 7.327 1.00 0.00 O ATOM 732 CB ILE A 49 4.744 -5.208 4.416 1.00 0.00 C ATOM 733 CG1 ILE A 49 5.395 -6.590 4.496 1.00 0.00 C ATOM 734 CG2 ILE A 49 5.763 -4.119 4.717 1.00 0.00 C ATOM 735 CD1 ILE A 49 4.665 -7.649 3.699 1.00 0.00 C ATOM 0 H ILE A 49 3.073 -3.324 4.422 1.00 0.00 H new ATOM 0 HA ILE A 49 2.832 -5.891 5.144 1.00 0.00 H new ATOM 0 HB ILE A 49 4.372 -5.061 3.402 1.00 0.00 H new ATOM 0 HG12 ILE A 49 6.422 -6.520 4.137 1.00 0.00 H new ATOM 0 HG13 ILE A 49 5.442 -6.901 5.540 1.00 0.00 H new ATOM 0 HG21 ILE A 49 6.595 -4.196 4.018 1.00 0.00 H new ATOM 0 HG22 ILE A 49 5.292 -3.141 4.614 1.00 0.00 H new ATOM 0 HG23 ILE A 49 6.133 -4.238 5.735 1.00 0.00 H new ATOM 0 HD11 ILE A 49 5.182 -8.603 3.802 1.00 0.00 H new ATOM 0 HD12 ILE A 49 3.646 -7.747 4.072 1.00 0.00 H new ATOM 0 HD13 ILE A 49 4.640 -7.361 2.648 1.00 0.00 H new ATOM 747 N ASN A 50 4.531 -4.266 7.446 1.00 0.00 N ATOM 748 CA ASN A 50 5.045 -4.344 8.808 1.00 0.00 C ATOM 749 C ASN A 50 3.958 -4.803 9.775 1.00 0.00 C ATOM 750 O ASN A 50 4.193 -5.658 10.629 1.00 0.00 O ATOM 751 CB ASN A 50 5.593 -2.984 9.247 1.00 0.00 C ATOM 752 CG ASN A 50 7.060 -2.814 8.906 1.00 0.00 C ATOM 753 OD1 ASN A 50 7.867 -3.719 9.119 1.00 0.00 O ATOM 754 ND2 ASN A 50 7.413 -1.649 8.374 1.00 0.00 N ATOM 0 H ASN A 50 4.561 -3.332 7.036 1.00 0.00 H new ATOM 0 HA ASN A 50 5.852 -5.076 8.823 1.00 0.00 H new ATOM 0 HB2 ASN A 50 5.017 -2.192 8.768 1.00 0.00 H new ATOM 0 HB3 ASN A 50 5.457 -2.871 10.323 1.00 0.00 H new ATOM 0 HD21 ASN A 50 8.387 -1.476 8.124 1.00 0.00 H new ATOM 0 HD22 ASN A 50 6.710 -0.927 8.215 1.00 0.00 H new ATOM 761 N ARG A 51 2.768 -4.229 9.634 1.00 0.00 N ATOM 762 CA ARG A 51 1.644 -4.578 10.495 1.00 0.00 C ATOM 763 C ARG A 51 1.200 -6.018 10.251 1.00 0.00 C ATOM 764 O ARG A 51 0.830 -6.731 11.184 1.00 0.00 O ATOM 765 CB ARG A 51 0.473 -3.624 10.254 1.00 0.00 C ATOM 766 CG ARG A 51 -0.666 -3.794 11.246 1.00 0.00 C ATOM 767 CD ARG A 51 -0.418 -3.001 12.519 1.00 0.00 C ATOM 768 NE ARG A 51 -1.172 -3.534 13.651 1.00 0.00 N ATOM 769 CZ ARG A 51 -0.784 -4.587 14.362 1.00 0.00 C ATOM 770 NH1 ARG A 51 0.343 -5.216 14.060 1.00 0.00 N ATOM 771 NH2 ARG A 51 -1.524 -5.013 15.378 1.00 0.00 N ATOM 0 H ARG A 51 2.557 -3.520 8.932 1.00 0.00 H new ATOM 0 HA ARG A 51 1.970 -4.486 11.531 1.00 0.00 H new ATOM 0 HB2 ARG A 51 0.836 -2.597 10.303 1.00 0.00 H new ATOM 0 HB3 ARG A 51 0.091 -3.779 9.245 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -1.600 -3.468 10.789 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -0.783 -4.850 11.490 1.00 0.00 H new ATOM 0 HD2 ARG A 51 0.646 -3.015 12.753 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -0.695 -1.959 12.357 1.00 0.00 H new ATOM 0 HE ARG A 51 -2.044 -3.072 13.910 1.00 0.00 H new ATOM 0 HH11 ARG A 51 0.915 -4.892 13.280 1.00 0.00 H new ATOM 0 HH12 ARG A 51 0.638 -6.024 14.608 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -2.392 -4.532 15.614 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -1.225 -5.822 15.923 1.00 0.00 H new ATOM 785 N LEU A 52 1.238 -6.438 8.991 1.00 0.00 N ATOM 786 CA LEU A 52 0.839 -7.792 8.624 1.00 0.00 C ATOM 787 C LEU A 52 1.823 -8.818 9.176 1.00 0.00 C ATOM 788 O LEU A 52 1.431 -9.755 9.871 1.00 0.00 O ATOM 789 CB LEU A 52 0.748 -7.923 7.102 1.00 0.00 C ATOM 790 CG LEU A 52 -0.096 -6.868 6.387 1.00 0.00 C ATOM 791 CD1 LEU A 52 -0.039 -7.069 4.881 1.00 0.00 C ATOM 792 CD2 LEU A 52 -1.536 -6.914 6.878 1.00 0.00 C ATOM 0 H LEU A 52 1.541 -5.860 8.207 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.142 -7.986 9.059 1.00 0.00 H new ATOM 0 HB2 LEU A 52 1.758 -7.889 6.693 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.341 -8.906 6.866 1.00 0.00 H new ATOM 0 HG LEU A 52 0.315 -5.885 6.618 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -0.646 -6.309 4.389 1.00 0.00 H new ATOM 0 HD12 LEU A 52 0.993 -6.985 4.542 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -0.424 -8.058 4.631 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -2.122 -6.156 6.358 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -1.957 -7.899 6.678 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -1.561 -6.720 7.950 1.00 0.00 H new ATOM 804 N MET A 53 3.101 -8.633 8.863 1.00 0.00 N ATOM 805 CA MET A 53 4.141 -9.542 9.331 1.00 0.00 C ATOM 806 C MET A 53 5.134 -8.813 10.231 1.00 0.00 C ATOM 807 O MET A 53 5.701 -7.784 9.865 1.00 0.00 O ATOM 808 CB MET A 53 4.875 -10.167 8.143 1.00 0.00 C ATOM 809 CG MET A 53 3.981 -11.021 7.258 1.00 0.00 C ATOM 810 SD MET A 53 4.543 -11.070 5.546 1.00 0.00 S ATOM 811 CE MET A 53 5.998 -12.103 5.697 1.00 0.00 C ATOM 0 H MET A 53 3.441 -7.863 8.288 1.00 0.00 H new ATOM 0 HA MET A 53 3.664 -10.333 9.910 1.00 0.00 H new ATOM 0 HB2 MET A 53 5.317 -9.373 7.541 1.00 0.00 H new ATOM 0 HB3 MET A 53 5.696 -10.780 8.515 1.00 0.00 H new ATOM 0 HG2 MET A 53 3.947 -12.036 7.654 1.00 0.00 H new ATOM 0 HG3 MET A 53 2.964 -10.631 7.292 1.00 0.00 H new ATOM 0 HE1 MET A 53 6.646 -11.947 4.835 1.00 0.00 H new ATOM 0 HE2 MET A 53 6.537 -11.842 6.608 1.00 0.00 H new ATOM 0 HE3 MET A 53 5.698 -13.150 5.740 1.00 0.00 H new ATOM 821 N PRO A 54 5.351 -9.358 11.438 1.00 0.00 N ATOM 822 CA PRO A 54 6.277 -8.776 12.414 1.00 0.00 C ATOM 823 C PRO A 54 7.734 -8.909 11.983 1.00 0.00 C ATOM 824 O PRO A 54 8.308 -9.996 12.031 1.00 0.00 O ATOM 825 CB PRO A 54 6.017 -9.595 13.681 1.00 0.00 C ATOM 826 CG PRO A 54 5.490 -10.899 13.188 1.00 0.00 C ATOM 827 CD PRO A 54 4.711 -10.585 11.941 1.00 0.00 C ATOM 0 HA PRO A 54 6.116 -7.706 12.541 1.00 0.00 H new ATOM 0 HB2 PRO A 54 6.931 -9.731 14.259 1.00 0.00 H new ATOM 0 HB3 PRO A 54 5.298 -9.098 14.333 1.00 0.00 H new ATOM 0 HG2 PRO A 54 6.303 -11.594 12.976 1.00 0.00 H new ATOM 0 HG3 PRO A 54 4.854 -11.371 13.937 1.00 0.00 H new ATOM 0 HD2 PRO A 54 4.771 -11.396 11.215 1.00 0.00 H new ATOM 0 HD3 PRO A 54 3.654 -10.428 12.156 1.00 0.00 H new ATOM 835 N GLY A 55 8.326 -7.796 11.562 1.00 0.00 N ATOM 836 CA GLY A 55 9.711 -7.810 11.129 1.00 0.00 C ATOM 837 C GLY A 55 9.846 -7.925 9.624 1.00 0.00 C ATOM 838 O GLY A 55 10.632 -8.730 9.124 1.00 0.00 O ATOM 0 H GLY A 55 7.871 -6.884 11.513 1.00 0.00 H new ATOM 0 HA2 GLY A 55 10.203 -6.898 11.466 1.00 0.00 H new ATOM 0 HA3 GLY A 55 10.228 -8.645 11.602 1.00 0.00 H new ATOM 842 N SER A 56 9.078 -7.119 8.899 1.00 0.00 N ATOM 843 CA SER A 56 9.111 -7.138 7.441 1.00 0.00 C ATOM 844 C SER A 56 10.193 -6.201 6.911 1.00 0.00 C ATOM 845 O SER A 56 11.152 -6.639 6.275 1.00 0.00 O ATOM 846 CB SER A 56 7.749 -6.736 6.873 1.00 0.00 C ATOM 847 OG SER A 56 6.780 -7.743 7.110 1.00 0.00 O ATOM 0 H SER A 56 8.425 -6.444 9.297 1.00 0.00 H new ATOM 0 HA SER A 56 9.344 -8.153 7.120 1.00 0.00 H new ATOM 0 HB2 SER A 56 7.424 -5.800 7.327 1.00 0.00 H new ATOM 0 HB3 SER A 56 7.837 -6.557 5.801 1.00 0.00 H new ATOM 0 HG SER A 56 6.487 -7.702 8.044 1.00 0.00 H new ATOM 853 N VAL A 57 10.029 -4.909 7.176 1.00 0.00 N ATOM 854 CA VAL A 57 10.991 -3.909 6.727 1.00 0.00 C ATOM 855 C VAL A 57 11.942 -3.517 7.853 1.00 0.00 C ATOM 856 O VAL A 57 11.521 -2.967 8.870 1.00 0.00 O ATOM 857 CB VAL A 57 10.283 -2.645 6.204 1.00 0.00 C ATOM 858 CG1 VAL A 57 11.302 -1.616 5.739 1.00 0.00 C ATOM 859 CG2 VAL A 57 9.320 -3.000 5.081 1.00 0.00 C ATOM 0 H VAL A 57 9.240 -4.530 7.699 1.00 0.00 H new ATOM 0 HA VAL A 57 11.561 -4.360 5.915 1.00 0.00 H new ATOM 0 HB VAL A 57 9.708 -2.208 7.020 1.00 0.00 H new ATOM 0 HG11 VAL A 57 10.783 -0.730 5.373 1.00 0.00 H new ATOM 0 HG12 VAL A 57 11.947 -1.340 6.573 1.00 0.00 H new ATOM 0 HG13 VAL A 57 11.907 -2.040 4.937 1.00 0.00 H new ATOM 0 HG21 VAL A 57 8.829 -2.095 4.723 1.00 0.00 H new ATOM 0 HG22 VAL A 57 9.871 -3.462 4.262 1.00 0.00 H new ATOM 0 HG23 VAL A 57 8.570 -3.698 5.452 1.00 0.00 H new ATOM 869 N GLU A 58 13.226 -3.804 7.662 1.00 0.00 N ATOM 870 CA GLU A 58 14.237 -3.481 8.662 1.00 0.00 C ATOM 871 C GLU A 58 14.100 -2.034 9.126 1.00 0.00 C ATOM 872 O GLU A 58 14.143 -1.746 10.323 1.00 0.00 O ATOM 873 CB GLU A 58 15.639 -3.716 8.097 1.00 0.00 C ATOM 874 CG GLU A 58 16.102 -5.160 8.198 1.00 0.00 C ATOM 875 CD GLU A 58 16.452 -5.562 9.618 1.00 0.00 C ATOM 876 OE1 GLU A 58 15.534 -5.951 10.369 1.00 0.00 O ATOM 877 OE2 GLU A 58 17.646 -5.487 9.977 1.00 0.00 O ATOM 0 H GLU A 58 13.590 -4.259 6.825 1.00 0.00 H new ATOM 0 HA GLU A 58 14.085 -4.136 9.520 1.00 0.00 H new ATOM 0 HB2 GLU A 58 15.656 -3.410 7.051 1.00 0.00 H new ATOM 0 HB3 GLU A 58 16.347 -3.078 8.627 1.00 0.00 H new ATOM 0 HG2 GLU A 58 15.318 -5.816 7.821 1.00 0.00 H new ATOM 0 HG3 GLU A 58 16.973 -5.304 7.558 1.00 0.00 H new ATOM 884 N LYS A 59 13.935 -1.125 8.171 1.00 0.00 N ATOM 885 CA LYS A 59 13.791 0.293 8.479 1.00 0.00 C ATOM 886 C LYS A 59 13.467 1.093 7.222 1.00 0.00 C ATOM 887 O LYS A 59 14.180 1.011 6.221 1.00 0.00 O ATOM 888 CB LYS A 59 15.073 0.829 9.121 1.00 0.00 C ATOM 889 CG LYS A 59 16.247 0.907 8.161 1.00 0.00 C ATOM 890 CD LYS A 59 17.575 0.819 8.895 1.00 0.00 C ATOM 891 CE LYS A 59 18.699 0.389 7.965 1.00 0.00 C ATOM 892 NZ LYS A 59 19.052 1.459 6.992 1.00 0.00 N ATOM 0 H LYS A 59 13.898 -1.346 7.176 1.00 0.00 H new ATOM 0 HA LYS A 59 12.965 0.404 9.182 1.00 0.00 H new ATOM 0 HB2 LYS A 59 14.879 1.822 9.526 1.00 0.00 H new ATOM 0 HB3 LYS A 59 15.343 0.190 9.961 1.00 0.00 H new ATOM 0 HG2 LYS A 59 16.178 0.098 7.434 1.00 0.00 H new ATOM 0 HG3 LYS A 59 16.200 1.842 7.603 1.00 0.00 H new ATOM 0 HD2 LYS A 59 17.815 1.788 9.333 1.00 0.00 H new ATOM 0 HD3 LYS A 59 17.491 0.109 9.718 1.00 0.00 H new ATOM 0 HE2 LYS A 59 19.579 0.129 8.554 1.00 0.00 H new ATOM 0 HE3 LYS A 59 18.400 -0.509 7.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 19.822 1.128 6.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 18.220 1.690 6.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 19.362 2.308 7.507 1.00 0.00 H new ATOM 906 N PHE A 60 12.388 1.867 7.280 1.00 0.00 N ATOM 907 CA PHE A 60 11.970 2.682 6.145 1.00 0.00 C ATOM 908 C PHE A 60 11.939 4.161 6.521 1.00 0.00 C ATOM 909 O PHE A 60 12.109 4.520 7.687 1.00 0.00 O ATOM 910 CB PHE A 60 10.591 2.240 5.653 1.00 0.00 C ATOM 911 CG PHE A 60 9.528 2.302 6.713 1.00 0.00 C ATOM 912 CD1 PHE A 60 9.307 1.223 7.554 1.00 0.00 C ATOM 913 CD2 PHE A 60 8.751 3.438 6.869 1.00 0.00 C ATOM 914 CE1 PHE A 60 8.329 1.277 8.530 1.00 0.00 C ATOM 915 CE2 PHE A 60 7.772 3.498 7.843 1.00 0.00 C ATOM 916 CZ PHE A 60 7.562 2.416 8.675 1.00 0.00 C ATOM 0 H PHE A 60 11.787 1.947 8.101 1.00 0.00 H new ATOM 0 HA PHE A 60 12.695 2.544 5.343 1.00 0.00 H new ATOM 0 HB2 PHE A 60 10.294 2.870 4.815 1.00 0.00 H new ATOM 0 HB3 PHE A 60 10.658 1.219 5.276 1.00 0.00 H new ATOM 0 HD1 PHE A 60 9.905 0.330 7.446 1.00 0.00 H new ATOM 0 HD2 PHE A 60 8.912 4.287 6.222 1.00 0.00 H new ATOM 0 HE1 PHE A 60 8.165 0.429 9.178 1.00 0.00 H new ATOM 0 HE2 PHE A 60 7.172 4.389 7.953 1.00 0.00 H new ATOM 0 HZ PHE A 60 6.799 2.461 9.438 1.00 0.00 H new ATOM 926 N CYS A 61 11.721 5.013 5.525 1.00 0.00 N ATOM 927 CA CYS A 61 11.669 6.453 5.750 1.00 0.00 C ATOM 928 C CYS A 61 10.244 6.905 6.053 1.00 0.00 C ATOM 929 O CYS A 61 9.393 6.951 5.163 1.00 0.00 O ATOM 930 CB CYS A 61 12.205 7.200 4.527 1.00 0.00 C ATOM 931 SG CYS A 61 12.994 8.780 4.915 1.00 0.00 S ATOM 0 H CYS A 61 11.578 4.732 4.555 1.00 0.00 H new ATOM 0 HA CYS A 61 12.295 6.685 6.612 1.00 0.00 H new ATOM 0 HB2 CYS A 61 12.925 6.563 4.012 1.00 0.00 H new ATOM 0 HB3 CYS A 61 11.383 7.377 3.834 1.00 0.00 H new ATOM 0 HG CYS A 61 14.276 8.684 4.721 1.00 0.00 H new ATOM 937 N LEU A 62 9.990 7.237 7.314 1.00 0.00 N ATOM 938 CA LEU A 62 8.667 7.683 7.736 1.00 0.00 C ATOM 939 C LEU A 62 8.267 8.963 7.008 1.00 0.00 C ATOM 940 O LEU A 62 7.125 9.109 6.572 1.00 0.00 O ATOM 941 CB LEU A 62 8.643 7.915 9.248 1.00 0.00 C ATOM 942 CG LEU A 62 8.637 6.658 10.119 1.00 0.00 C ATOM 943 CD1 LEU A 62 8.879 7.017 11.576 1.00 0.00 C ATOM 944 CD2 LEU A 62 7.321 5.908 9.964 1.00 0.00 C ATOM 0 H LEU A 62 10.683 7.206 8.062 1.00 0.00 H new ATOM 0 HA LEU A 62 7.950 6.902 7.483 1.00 0.00 H new ATOM 0 HB2 LEU A 62 9.512 8.515 9.517 1.00 0.00 H new ATOM 0 HB3 LEU A 62 7.760 8.506 9.491 1.00 0.00 H new ATOM 0 HG LEU A 62 9.445 6.006 9.788 1.00 0.00 H new ATOM 0 HD11 LEU A 62 8.871 6.110 12.180 1.00 0.00 H new ATOM 0 HD12 LEU A 62 9.846 7.510 11.673 1.00 0.00 H new ATOM 0 HD13 LEU A 62 8.093 7.689 11.920 1.00 0.00 H new ATOM 0 HD21 LEU A 62 7.334 5.016 10.591 1.00 0.00 H new ATOM 0 HD22 LEU A 62 6.497 6.553 10.268 1.00 0.00 H new ATOM 0 HD23 LEU A 62 7.189 5.617 8.922 1.00 0.00 H new ATOM 956 N ASP A 63 9.214 9.885 6.878 1.00 0.00 N ATOM 957 CA ASP A 63 8.962 11.151 6.200 1.00 0.00 C ATOM 958 C ASP A 63 10.051 11.444 5.173 1.00 0.00 C ATOM 959 O ASP A 63 11.049 12.105 5.462 1.00 0.00 O ATOM 960 CB ASP A 63 8.881 12.291 7.216 1.00 0.00 C ATOM 961 CG ASP A 63 10.098 12.349 8.119 1.00 0.00 C ATOM 962 OD1 ASP A 63 10.410 11.325 8.761 1.00 0.00 O ATOM 963 OD2 ASP A 63 10.739 13.419 8.182 1.00 0.00 O ATOM 0 H ASP A 63 10.164 9.779 7.234 1.00 0.00 H new ATOM 0 HA ASP A 63 8.008 11.072 5.678 1.00 0.00 H new ATOM 0 HB2 ASP A 63 8.779 13.239 6.687 1.00 0.00 H new ATOM 0 HB3 ASP A 63 7.986 12.168 7.825 1.00 0.00 H new ATOM 968 N PRO A 64 9.858 10.940 3.945 1.00 0.00 N ATOM 969 CA PRO A 64 10.814 11.134 2.851 1.00 0.00 C ATOM 970 C PRO A 64 10.847 12.578 2.360 1.00 0.00 C ATOM 971 O PRO A 64 9.988 12.999 1.587 1.00 0.00 O ATOM 972 CB PRO A 64 10.288 10.208 1.752 1.00 0.00 C ATOM 973 CG PRO A 64 8.831 10.074 2.035 1.00 0.00 C ATOM 974 CD PRO A 64 8.692 10.142 3.531 1.00 0.00 C ATOM 0 HA PRO A 64 11.836 10.915 3.159 1.00 0.00 H new ATOM 0 HB2 PRO A 64 10.462 10.630 0.762 1.00 0.00 H new ATOM 0 HB3 PRO A 64 10.787 9.239 1.778 1.00 0.00 H new ATOM 0 HG2 PRO A 64 8.265 10.872 1.554 1.00 0.00 H new ATOM 0 HG3 PRO A 64 8.444 9.131 1.649 1.00 0.00 H new ATOM 0 HD2 PRO A 64 7.756 10.615 3.827 1.00 0.00 H new ATOM 0 HD3 PRO A 64 8.704 9.149 3.981 1.00 0.00 H new ATOM 982 N GLN A 65 11.845 13.329 2.814 1.00 0.00 N ATOM 983 CA GLN A 65 11.989 14.726 2.421 1.00 0.00 C ATOM 984 C GLN A 65 12.250 14.845 0.923 1.00 0.00 C ATOM 985 O GLN A 65 11.795 15.789 0.275 1.00 0.00 O ATOM 986 CB GLN A 65 13.128 15.383 3.202 1.00 0.00 C ATOM 987 CG GLN A 65 12.722 15.848 4.592 1.00 0.00 C ATOM 988 CD GLN A 65 11.455 16.679 4.583 1.00 0.00 C ATOM 989 OE1 GLN A 65 10.366 16.175 4.861 1.00 0.00 O ATOM 990 NE2 GLN A 65 11.589 17.961 4.262 1.00 0.00 N ATOM 0 H GLN A 65 12.565 12.994 3.454 1.00 0.00 H new ATOM 0 HA GLN A 65 11.056 15.240 2.652 1.00 0.00 H new ATOM 0 HB2 GLN A 65 13.952 14.675 3.291 1.00 0.00 H new ATOM 0 HB3 GLN A 65 13.500 16.237 2.636 1.00 0.00 H new ATOM 0 HG2 GLN A 65 12.577 14.979 5.234 1.00 0.00 H new ATOM 0 HG3 GLN A 65 13.533 16.433 5.026 1.00 0.00 H new ATOM 0 HE21 GLN A 65 12.510 18.337 4.039 1.00 0.00 H new ATOM 0 HE22 GLN A 65 10.770 18.569 4.239 1.00 0.00 H new ATOM 999 N THR A 66 12.986 13.882 0.377 1.00 0.00 N ATOM 1000 CA THR A 66 13.310 13.880 -1.044 1.00 0.00 C ATOM 1001 C THR A 66 12.840 12.593 -1.713 1.00 0.00 C ATOM 1002 O THR A 66 12.416 11.653 -1.041 1.00 0.00 O ATOM 1003 CB THR A 66 14.824 14.042 -1.277 1.00 0.00 C ATOM 1004 OG1 THR A 66 15.532 12.956 -0.669 1.00 0.00 O ATOM 1005 CG2 THR A 66 15.320 15.361 -0.705 1.00 0.00 C ATOM 0 H THR A 66 13.369 13.093 0.898 1.00 0.00 H new ATOM 0 HA THR A 66 12.789 14.729 -1.487 1.00 0.00 H new ATOM 0 HB THR A 66 15.007 14.038 -2.351 1.00 0.00 H new ATOM 0 HG1 THR A 66 16.494 13.065 -0.823 1.00 0.00 H new ATOM 0 HG21 THR A 66 16.392 15.454 -0.881 1.00 0.00 H new ATOM 0 HG22 THR A 66 14.800 16.187 -1.190 1.00 0.00 H new ATOM 0 HG23 THR A 66 15.125 15.389 0.367 1.00 0.00 H new ATOM 1013 N GLU A 67 12.918 12.558 -3.040 1.00 0.00 N ATOM 1014 CA GLU A 67 12.500 11.385 -3.798 1.00 0.00 C ATOM 1015 C GLU A 67 13.292 10.151 -3.373 1.00 0.00 C ATOM 1016 O GLU A 67 12.717 9.110 -3.057 1.00 0.00 O ATOM 1017 CB GLU A 67 12.681 11.628 -5.298 1.00 0.00 C ATOM 1018 CG GLU A 67 12.470 10.386 -6.146 1.00 0.00 C ATOM 1019 CD GLU A 67 13.264 10.420 -7.438 1.00 0.00 C ATOM 1020 OE1 GLU A 67 12.735 10.935 -8.445 1.00 0.00 O ATOM 1021 OE2 GLU A 67 14.413 9.931 -7.442 1.00 0.00 O ATOM 0 H GLU A 67 13.266 13.328 -3.611 1.00 0.00 H new ATOM 0 HA GLU A 67 11.445 11.208 -3.590 1.00 0.00 H new ATOM 0 HB2 GLU A 67 11.982 12.400 -5.619 1.00 0.00 H new ATOM 0 HB3 GLU A 67 13.685 12.013 -5.476 1.00 0.00 H new ATOM 0 HG2 GLU A 67 12.756 9.505 -5.571 1.00 0.00 H new ATOM 0 HG3 GLU A 67 11.410 10.285 -6.378 1.00 0.00 H new ATOM 1028 N ALA A 68 14.615 10.277 -3.369 1.00 0.00 N ATOM 1029 CA ALA A 68 15.486 9.175 -2.982 1.00 0.00 C ATOM 1030 C ALA A 68 14.934 8.440 -1.765 1.00 0.00 C ATOM 1031 O ALA A 68 14.990 7.212 -1.692 1.00 0.00 O ATOM 1032 CB ALA A 68 16.891 9.686 -2.699 1.00 0.00 C ATOM 0 H ALA A 68 15.107 11.132 -3.630 1.00 0.00 H new ATOM 0 HA ALA A 68 15.528 8.470 -3.812 1.00 0.00 H new ATOM 0 HB1 ALA A 68 17.531 8.852 -2.411 1.00 0.00 H new ATOM 0 HB2 ALA A 68 17.293 10.159 -3.595 1.00 0.00 H new ATOM 0 HB3 ALA A 68 16.857 10.414 -1.888 1.00 0.00 H new ATOM 1038 N ASP A 69 14.403 9.198 -0.813 1.00 0.00 N ATOM 1039 CA ASP A 69 13.840 8.618 0.401 1.00 0.00 C ATOM 1040 C ASP A 69 12.545 7.871 0.097 1.00 0.00 C ATOM 1041 O ASP A 69 12.254 6.840 0.704 1.00 0.00 O ATOM 1042 CB ASP A 69 13.581 9.710 1.441 1.00 0.00 C ATOM 1043 CG ASP A 69 14.796 9.987 2.304 1.00 0.00 C ATOM 1044 OD1 ASP A 69 15.640 9.077 2.451 1.00 0.00 O ATOM 1045 OD2 ASP A 69 14.905 11.114 2.831 1.00 0.00 O ATOM 0 H ASP A 69 14.350 10.216 -0.858 1.00 0.00 H new ATOM 0 HA ASP A 69 14.562 7.908 0.803 1.00 0.00 H new ATOM 0 HB2 ASP A 69 13.282 10.627 0.934 1.00 0.00 H new ATOM 0 HB3 ASP A 69 12.748 9.412 2.077 1.00 0.00 H new ATOM 1050 N CYS A 70 11.771 8.399 -0.845 1.00 0.00 N ATOM 1051 CA CYS A 70 10.506 7.783 -1.229 1.00 0.00 C ATOM 1052 C CYS A 70 10.741 6.452 -1.936 1.00 0.00 C ATOM 1053 O CYS A 70 10.248 5.411 -1.500 1.00 0.00 O ATOM 1054 CB CYS A 70 9.712 8.723 -2.137 1.00 0.00 C ATOM 1055 SG CYS A 70 8.810 10.016 -1.252 1.00 0.00 S ATOM 0 H CYS A 70 11.997 9.252 -1.357 1.00 0.00 H new ATOM 0 HA CYS A 70 9.932 7.595 -0.322 1.00 0.00 H new ATOM 0 HB2 CYS A 70 10.396 9.191 -2.844 1.00 0.00 H new ATOM 0 HB3 CYS A 70 9.004 8.135 -2.720 1.00 0.00 H new ATOM 0 HG CYS A 70 9.568 11.064 -1.125 1.00 0.00 H new ATOM 1061 N ILE A 71 11.495 6.494 -3.029 1.00 0.00 N ATOM 1062 CA ILE A 71 11.795 5.291 -3.796 1.00 0.00 C ATOM 1063 C ILE A 71 12.253 4.158 -2.885 1.00 0.00 C ATOM 1064 O ILE A 71 11.875 3.003 -3.076 1.00 0.00 O ATOM 1065 CB ILE A 71 12.882 5.556 -4.855 1.00 0.00 C ATOM 1066 CG1 ILE A 71 12.417 6.632 -5.838 1.00 0.00 C ATOM 1067 CG2 ILE A 71 13.226 4.270 -5.593 1.00 0.00 C ATOM 1068 CD1 ILE A 71 11.057 6.353 -6.440 1.00 0.00 C ATOM 0 H ILE A 71 11.909 7.348 -3.403 1.00 0.00 H new ATOM 0 HA ILE A 71 10.873 4.999 -4.299 1.00 0.00 H new ATOM 0 HB ILE A 71 13.779 5.915 -4.351 1.00 0.00 H new ATOM 0 HG12 ILE A 71 12.388 7.593 -5.325 1.00 0.00 H new ATOM 0 HG13 ILE A 71 13.149 6.721 -6.640 1.00 0.00 H new ATOM 0 HG21 ILE A 71 13.995 4.473 -6.338 1.00 0.00 H new ATOM 0 HG22 ILE A 71 13.595 3.530 -4.882 1.00 0.00 H new ATOM 0 HG23 ILE A 71 12.334 3.885 -6.088 1.00 0.00 H new ATOM 0 HD11 ILE A 71 10.791 7.157 -7.127 1.00 0.00 H new ATOM 0 HD12 ILE A 71 11.086 5.407 -6.982 1.00 0.00 H new ATOM 0 HD13 ILE A 71 10.313 6.294 -5.646 1.00 0.00 H new ATOM 1080 N ASN A 72 13.070 4.497 -1.893 1.00 0.00 N ATOM 1081 CA ASN A 72 13.579 3.508 -0.950 1.00 0.00 C ATOM 1082 C ASN A 72 12.434 2.804 -0.229 1.00 0.00 C ATOM 1083 O ASN A 72 12.456 1.587 -0.048 1.00 0.00 O ATOM 1084 CB ASN A 72 14.506 4.174 0.069 1.00 0.00 C ATOM 1085 CG ASN A 72 15.847 4.553 -0.530 1.00 0.00 C ATOM 1086 OD1 ASN A 72 16.180 4.145 -1.643 1.00 0.00 O ATOM 1087 ND2 ASN A 72 16.623 5.337 0.208 1.00 0.00 N ATOM 0 H ASN A 72 13.394 5.449 -1.721 1.00 0.00 H new ATOM 0 HA ASN A 72 14.143 2.763 -1.512 1.00 0.00 H new ATOM 0 HB2 ASN A 72 14.023 5.067 0.466 1.00 0.00 H new ATOM 0 HB3 ASN A 72 14.664 3.497 0.909 1.00 0.00 H new ATOM 0 HD21 ASN A 72 17.537 5.625 -0.142 1.00 0.00 H new ATOM 0 HD22 ASN A 72 16.306 5.651 1.125 1.00 0.00 H new ATOM 1094 N ASN A 73 11.434 3.578 0.180 1.00 0.00 N ATOM 1095 CA ASN A 73 10.280 3.029 0.882 1.00 0.00 C ATOM 1096 C ASN A 73 9.546 2.014 0.010 1.00 0.00 C ATOM 1097 O ASN A 73 9.245 0.905 0.451 1.00 0.00 O ATOM 1098 CB ASN A 73 9.325 4.151 1.292 1.00 0.00 C ATOM 1099 CG ASN A 73 9.987 5.172 2.198 1.00 0.00 C ATOM 1100 OD1 ASN A 73 11.177 5.072 2.499 1.00 0.00 O ATOM 1101 ND2 ASN A 73 9.217 6.160 2.637 1.00 0.00 N ATOM 0 H ASN A 73 11.400 4.587 0.037 1.00 0.00 H new ATOM 0 HA ASN A 73 10.638 2.521 1.777 1.00 0.00 H new ATOM 0 HB2 ASN A 73 8.951 4.651 0.398 1.00 0.00 H new ATOM 0 HB3 ASN A 73 8.462 3.722 1.802 1.00 0.00 H new ATOM 0 HD21 ASN A 73 9.606 6.876 3.250 1.00 0.00 H new ATOM 0 HD22 ASN A 73 8.236 6.203 2.362 1.00 0.00 H new ATOM 1108 N ILE A 74 9.260 2.403 -1.228 1.00 0.00 N ATOM 1109 CA ILE A 74 8.563 1.528 -2.162 1.00 0.00 C ATOM 1110 C ILE A 74 9.333 0.229 -2.377 1.00 0.00 C ATOM 1111 O ILE A 74 8.852 -0.852 -2.043 1.00 0.00 O ATOM 1112 CB ILE A 74 8.346 2.215 -3.523 1.00 0.00 C ATOM 1113 CG1 ILE A 74 7.573 3.522 -3.341 1.00 0.00 C ATOM 1114 CG2 ILE A 74 7.608 1.284 -4.474 1.00 0.00 C ATOM 1115 CD1 ILE A 74 7.648 4.441 -4.540 1.00 0.00 C ATOM 0 H ILE A 74 9.500 3.319 -1.607 1.00 0.00 H new ATOM 0 HA ILE A 74 7.592 1.303 -1.720 1.00 0.00 H new ATOM 0 HB ILE A 74 9.319 2.448 -3.956 1.00 0.00 H new ATOM 0 HG12 ILE A 74 6.528 3.291 -3.136 1.00 0.00 H new ATOM 0 HG13 ILE A 74 7.961 4.046 -2.467 1.00 0.00 H new ATOM 0 HG21 ILE A 74 7.462 1.783 -5.432 1.00 0.00 H new ATOM 0 HG22 ILE A 74 8.194 0.377 -4.623 1.00 0.00 H new ATOM 0 HG23 ILE A 74 6.639 1.024 -4.049 1.00 0.00 H new ATOM 0 HD11 ILE A 74 7.077 5.348 -4.340 1.00 0.00 H new ATOM 0 HD12 ILE A 74 8.688 4.702 -4.734 1.00 0.00 H new ATOM 0 HD13 ILE A 74 7.233 3.936 -5.412 1.00 0.00 H new ATOM 1127 N ASN A 75 10.533 0.346 -2.937 1.00 0.00 N ATOM 1128 CA ASN A 75 11.372 -0.819 -3.196 1.00 0.00 C ATOM 1129 C ASN A 75 11.471 -1.704 -1.958 1.00 0.00 C ATOM 1130 O ASN A 75 11.443 -2.931 -2.055 1.00 0.00 O ATOM 1131 CB ASN A 75 12.770 -0.380 -3.636 1.00 0.00 C ATOM 1132 CG ASN A 75 12.836 -0.060 -5.117 1.00 0.00 C ATOM 1133 OD1 ASN A 75 12.509 -0.897 -5.959 1.00 0.00 O ATOM 1134 ND2 ASN A 75 13.260 1.156 -5.442 1.00 0.00 N ATOM 0 H ASN A 75 10.946 1.235 -3.220 1.00 0.00 H new ATOM 0 HA ASN A 75 10.911 -1.396 -3.998 1.00 0.00 H new ATOM 0 HB2 ASN A 75 13.069 0.498 -3.064 1.00 0.00 H new ATOM 0 HB3 ASN A 75 13.485 -1.170 -3.405 1.00 0.00 H new ATOM 0 HD21 ASN A 75 13.325 1.428 -6.423 1.00 0.00 H new ATOM 0 HD22 ASN A 75 13.521 1.818 -4.711 1.00 0.00 H new ATOM 1141 N ASP A 76 11.587 -1.074 -0.794 1.00 0.00 N ATOM 1142 CA ASP A 76 11.689 -1.803 0.464 1.00 0.00 C ATOM 1143 C ASP A 76 10.451 -2.663 0.696 1.00 0.00 C ATOM 1144 O ASP A 76 10.540 -3.888 0.784 1.00 0.00 O ATOM 1145 CB ASP A 76 11.874 -0.830 1.629 1.00 0.00 C ATOM 1146 CG ASP A 76 13.305 -0.346 1.758 1.00 0.00 C ATOM 1147 OD1 ASP A 76 14.030 -0.364 0.742 1.00 0.00 O ATOM 1148 OD2 ASP A 76 13.699 0.050 2.875 1.00 0.00 O ATOM 0 H ASP A 76 11.613 -0.059 -0.696 1.00 0.00 H new ATOM 0 HA ASP A 76 12.559 -2.458 0.406 1.00 0.00 H new ATOM 0 HB2 ASP A 76 11.215 0.027 1.491 1.00 0.00 H new ATOM 0 HB3 ASP A 76 11.573 -1.317 2.557 1.00 0.00 H new ATOM 1153 N PHE A 77 9.295 -2.014 0.794 1.00 0.00 N ATOM 1154 CA PHE A 77 8.039 -2.720 1.017 1.00 0.00 C ATOM 1155 C PHE A 77 7.984 -4.006 0.198 1.00 0.00 C ATOM 1156 O PHE A 77 7.506 -5.038 0.672 1.00 0.00 O ATOM 1157 CB PHE A 77 6.854 -1.821 0.657 1.00 0.00 C ATOM 1158 CG PHE A 77 5.604 -2.583 0.319 1.00 0.00 C ATOM 1159 CD1 PHE A 77 5.018 -3.425 1.250 1.00 0.00 C ATOM 1160 CD2 PHE A 77 5.017 -2.457 -0.930 1.00 0.00 C ATOM 1161 CE1 PHE A 77 3.868 -4.128 0.942 1.00 0.00 C ATOM 1162 CE2 PHE A 77 3.867 -3.157 -1.243 1.00 0.00 C ATOM 1163 CZ PHE A 77 3.292 -3.994 -0.306 1.00 0.00 C ATOM 0 H PHE A 77 9.202 -1.001 0.722 1.00 0.00 H new ATOM 0 HA PHE A 77 7.981 -2.981 2.074 1.00 0.00 H new ATOM 0 HB2 PHE A 77 6.648 -1.153 1.493 1.00 0.00 H new ATOM 0 HB3 PHE A 77 7.128 -1.194 -0.191 1.00 0.00 H new ATOM 0 HD1 PHE A 77 5.464 -3.534 2.227 1.00 0.00 H new ATOM 0 HD2 PHE A 77 5.463 -1.805 -1.667 1.00 0.00 H new ATOM 0 HE1 PHE A 77 3.421 -4.781 1.677 1.00 0.00 H new ATOM 0 HE2 PHE A 77 3.418 -3.050 -2.219 1.00 0.00 H new ATOM 0 HZ PHE A 77 2.394 -4.542 -0.549 1.00 0.00 H new ATOM 1173 N LEU A 78 8.475 -3.936 -1.035 1.00 0.00 N ATOM 1174 CA LEU A 78 8.482 -5.094 -1.922 1.00 0.00 C ATOM 1175 C LEU A 78 9.190 -6.276 -1.269 1.00 0.00 C ATOM 1176 O LEU A 78 8.733 -7.416 -1.359 1.00 0.00 O ATOM 1177 CB LEU A 78 9.165 -4.743 -3.245 1.00 0.00 C ATOM 1178 CG LEU A 78 8.511 -3.628 -4.063 1.00 0.00 C ATOM 1179 CD1 LEU A 78 9.430 -3.184 -5.190 1.00 0.00 C ATOM 1180 CD2 LEU A 78 7.170 -4.089 -4.616 1.00 0.00 C ATOM 0 H LEU A 78 8.873 -3.090 -1.443 1.00 0.00 H new ATOM 0 HA LEU A 78 7.448 -5.377 -2.118 1.00 0.00 H new ATOM 0 HB2 LEU A 78 10.195 -4.455 -3.034 1.00 0.00 H new ATOM 0 HB3 LEU A 78 9.205 -5.642 -3.860 1.00 0.00 H new ATOM 0 HG LEU A 78 8.337 -2.776 -3.406 1.00 0.00 H new ATOM 0 HD11 LEU A 78 8.948 -2.390 -5.761 1.00 0.00 H new ATOM 0 HD12 LEU A 78 10.366 -2.813 -4.772 1.00 0.00 H new ATOM 0 HD13 LEU A 78 9.636 -4.030 -5.846 1.00 0.00 H new ATOM 0 HD21 LEU A 78 6.719 -3.283 -5.195 1.00 0.00 H new ATOM 0 HD22 LEU A 78 7.320 -4.957 -5.258 1.00 0.00 H new ATOM 0 HD23 LEU A 78 6.509 -4.357 -3.792 1.00 0.00 H new ATOM 1192 N LYS A 79 10.309 -5.997 -0.608 1.00 0.00 N ATOM 1193 CA LYS A 79 11.080 -7.036 0.064 1.00 0.00 C ATOM 1194 C LYS A 79 10.159 -8.065 0.712 1.00 0.00 C ATOM 1195 O LYS A 79 10.371 -9.270 0.585 1.00 0.00 O ATOM 1196 CB LYS A 79 11.995 -6.416 1.123 1.00 0.00 C ATOM 1197 CG LYS A 79 11.295 -6.135 2.441 1.00 0.00 C ATOM 1198 CD LYS A 79 12.214 -5.420 3.419 1.00 0.00 C ATOM 1199 CE LYS A 79 12.199 -3.915 3.199 1.00 0.00 C ATOM 1200 NZ LYS A 79 13.337 -3.244 3.886 1.00 0.00 N ATOM 0 H LYS A 79 10.702 -5.060 -0.524 1.00 0.00 H new ATOM 0 HA LYS A 79 11.690 -7.542 -0.684 1.00 0.00 H new ATOM 0 HB2 LYS A 79 12.835 -7.087 1.303 1.00 0.00 H new ATOM 0 HB3 LYS A 79 12.408 -5.485 0.735 1.00 0.00 H new ATOM 0 HG2 LYS A 79 10.409 -5.526 2.261 1.00 0.00 H new ATOM 0 HG3 LYS A 79 10.954 -7.072 2.880 1.00 0.00 H new ATOM 0 HD2 LYS A 79 11.904 -5.643 4.440 1.00 0.00 H new ATOM 0 HD3 LYS A 79 13.231 -5.795 3.305 1.00 0.00 H new ATOM 0 HE2 LYS A 79 12.244 -3.703 2.131 1.00 0.00 H new ATOM 0 HE3 LYS A 79 11.259 -3.503 3.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 13.254 -2.214 3.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 13.319 -3.480 4.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 14.233 -3.569 3.470 1.00 0.00 H new ATOM 1214 N GLY A 80 9.134 -7.580 1.407 1.00 0.00 N ATOM 1215 CA GLY A 80 8.195 -8.471 2.063 1.00 0.00 C ATOM 1216 C GLY A 80 7.155 -9.022 1.108 1.00 0.00 C ATOM 1217 O GLY A 80 6.695 -10.154 1.266 1.00 0.00 O ATOM 0 H GLY A 80 8.938 -6.586 1.527 1.00 0.00 H new ATOM 0 HA2 GLY A 80 8.741 -9.298 2.518 1.00 0.00 H new ATOM 0 HA3 GLY A 80 7.695 -7.936 2.871 1.00 0.00 H new ATOM 1221 N CYS A 81 6.781 -8.221 0.116 1.00 0.00 N ATOM 1222 CA CYS A 81 5.786 -8.634 -0.867 1.00 0.00 C ATOM 1223 C CYS A 81 6.164 -9.972 -1.494 1.00 0.00 C ATOM 1224 O CYS A 81 5.302 -10.809 -1.761 1.00 0.00 O ATOM 1225 CB CYS A 81 5.641 -7.570 -1.955 1.00 0.00 C ATOM 1226 SG CYS A 81 6.788 -7.768 -3.339 1.00 0.00 S ATOM 0 H CYS A 81 7.152 -7.282 -0.029 1.00 0.00 H new ATOM 0 HA CYS A 81 4.831 -8.751 -0.354 1.00 0.00 H new ATOM 0 HB2 CYS A 81 4.620 -7.593 -2.337 1.00 0.00 H new ATOM 0 HB3 CYS A 81 5.793 -6.587 -1.509 1.00 0.00 H new ATOM 0 HG CYS A 81 8.009 -7.780 -2.892 1.00 0.00 H new ATOM 1232 N ALA A 82 7.458 -10.166 -1.727 1.00 0.00 N ATOM 1233 CA ALA A 82 7.950 -11.402 -2.323 1.00 0.00 C ATOM 1234 C ALA A 82 7.520 -12.614 -1.504 1.00 0.00 C ATOM 1235 O ALA A 82 7.161 -13.655 -2.056 1.00 0.00 O ATOM 1236 CB ALA A 82 9.465 -11.359 -2.451 1.00 0.00 C ATOM 0 H ALA A 82 8.184 -9.483 -1.512 1.00 0.00 H new ATOM 0 HA ALA A 82 7.515 -11.496 -3.318 1.00 0.00 H new ATOM 0 HB1 ALA A 82 9.819 -12.288 -2.897 1.00 0.00 H new ATOM 0 HB2 ALA A 82 9.753 -10.520 -3.084 1.00 0.00 H new ATOM 0 HB3 ALA A 82 9.910 -11.238 -1.463 1.00 0.00 H new ATOM 1242 N THR A 83 7.561 -12.475 -0.182 1.00 0.00 N ATOM 1243 CA THR A 83 7.178 -13.560 0.713 1.00 0.00 C ATOM 1244 C THR A 83 5.805 -14.113 0.350 1.00 0.00 C ATOM 1245 O THR A 83 5.582 -15.324 0.386 1.00 0.00 O ATOM 1246 CB THR A 83 7.161 -13.096 2.182 1.00 0.00 C ATOM 1247 OG1 THR A 83 8.445 -12.578 2.547 1.00 0.00 O ATOM 1248 CG2 THR A 83 6.791 -14.245 3.107 1.00 0.00 C ATOM 0 H THR A 83 7.856 -11.621 0.292 1.00 0.00 H new ATOM 0 HA THR A 83 7.925 -14.345 0.596 1.00 0.00 H new ATOM 0 HB THR A 83 6.411 -12.312 2.284 1.00 0.00 H new ATOM 0 HG1 THR A 83 8.425 -12.284 3.482 1.00 0.00 H new ATOM 0 HG21 THR A 83 6.785 -13.894 4.139 1.00 0.00 H new ATOM 0 HG22 THR A 83 5.801 -14.618 2.845 1.00 0.00 H new ATOM 0 HG23 THR A 83 7.521 -15.047 3.001 1.00 0.00 H new ATOM 1256 N LEU A 84 4.886 -13.219 0.001 1.00 0.00 N ATOM 1257 CA LEU A 84 3.532 -13.618 -0.369 1.00 0.00 C ATOM 1258 C LEU A 84 3.498 -14.176 -1.788 1.00 0.00 C ATOM 1259 O LEU A 84 2.515 -14.791 -2.200 1.00 0.00 O ATOM 1260 CB LEU A 84 2.579 -12.428 -0.254 1.00 0.00 C ATOM 1261 CG LEU A 84 2.490 -11.770 1.124 1.00 0.00 C ATOM 1262 CD1 LEU A 84 2.069 -10.314 0.995 1.00 0.00 C ATOM 1263 CD2 LEU A 84 1.518 -12.531 2.016 1.00 0.00 C ATOM 0 H LEU A 84 5.054 -12.213 -0.034 1.00 0.00 H new ATOM 0 HA LEU A 84 3.210 -14.401 0.318 1.00 0.00 H new ATOM 0 HB2 LEU A 84 2.885 -11.672 -0.977 1.00 0.00 H new ATOM 0 HB3 LEU A 84 1.581 -12.758 -0.542 1.00 0.00 H new ATOM 0 HG LEU A 84 3.477 -11.802 1.585 1.00 0.00 H new ATOM 0 HD11 LEU A 84 2.011 -9.863 1.986 1.00 0.00 H new ATOM 0 HD12 LEU A 84 2.801 -9.776 0.393 1.00 0.00 H new ATOM 0 HD13 LEU A 84 1.093 -10.259 0.514 1.00 0.00 H new ATOM 0 HD21 LEU A 84 1.467 -12.049 2.992 1.00 0.00 H new ATOM 0 HD22 LEU A 84 0.528 -12.531 1.559 1.00 0.00 H new ATOM 0 HD23 LEU A 84 1.862 -13.558 2.136 1.00 0.00 H new ATOM 1275 N GLN A 85 4.579 -13.958 -2.531 1.00 0.00 N ATOM 1276 CA GLN A 85 4.673 -14.441 -3.903 1.00 0.00 C ATOM 1277 C GLN A 85 3.428 -14.061 -4.700 1.00 0.00 C ATOM 1278 O GLN A 85 2.791 -14.913 -5.319 1.00 0.00 O ATOM 1279 CB GLN A 85 4.860 -15.959 -3.921 1.00 0.00 C ATOM 1280 CG GLN A 85 6.163 -16.418 -3.285 1.00 0.00 C ATOM 1281 CD GLN A 85 6.098 -17.850 -2.792 1.00 0.00 C ATOM 1282 OE1 GLN A 85 5.276 -18.189 -1.941 1.00 0.00 O ATOM 1283 NE2 GLN A 85 6.967 -18.700 -3.326 1.00 0.00 N ATOM 0 H GLN A 85 5.401 -13.450 -2.205 1.00 0.00 H new ATOM 0 HA GLN A 85 5.539 -13.970 -4.368 1.00 0.00 H new ATOM 0 HB2 GLN A 85 4.025 -16.426 -3.398 1.00 0.00 H new ATOM 0 HB3 GLN A 85 4.826 -16.309 -4.953 1.00 0.00 H new ATOM 0 HG2 GLN A 85 6.970 -16.324 -4.011 1.00 0.00 H new ATOM 0 HG3 GLN A 85 6.407 -15.761 -2.450 1.00 0.00 H new ATOM 0 HE21 GLN A 85 7.631 -18.376 -4.029 1.00 0.00 H new ATOM 0 HE22 GLN A 85 6.970 -19.677 -3.033 1.00 0.00 H new ATOM 1292 N VAL A 86 3.088 -12.776 -4.679 1.00 0.00 N ATOM 1293 CA VAL A 86 1.920 -12.284 -5.399 1.00 0.00 C ATOM 1294 C VAL A 86 2.311 -11.216 -6.415 1.00 0.00 C ATOM 1295 O VAL A 86 3.478 -10.839 -6.515 1.00 0.00 O ATOM 1296 CB VAL A 86 0.870 -11.700 -4.435 1.00 0.00 C ATOM 1297 CG1 VAL A 86 0.338 -12.781 -3.506 1.00 0.00 C ATOM 1298 CG2 VAL A 86 1.462 -10.546 -3.640 1.00 0.00 C ATOM 0 H VAL A 86 3.605 -12.058 -4.172 1.00 0.00 H new ATOM 0 HA VAL A 86 1.487 -13.138 -5.921 1.00 0.00 H new ATOM 0 HB VAL A 86 0.035 -11.317 -5.022 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -0.402 -12.350 -2.832 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -0.125 -13.572 -4.096 1.00 0.00 H new ATOM 0 HG13 VAL A 86 1.160 -13.197 -2.923 1.00 0.00 H new ATOM 0 HG21 VAL A 86 0.707 -10.145 -2.964 1.00 0.00 H new ATOM 0 HG22 VAL A 86 2.315 -10.902 -3.062 1.00 0.00 H new ATOM 0 HG23 VAL A 86 1.789 -9.763 -4.324 1.00 0.00 H new ATOM 1308 N GLU A 87 1.326 -10.731 -7.165 1.00 0.00 N ATOM 1309 CA GLU A 87 1.569 -9.706 -8.174 1.00 0.00 C ATOM 1310 C GLU A 87 2.261 -8.492 -7.560 1.00 0.00 C ATOM 1311 O GLU A 87 1.838 -7.983 -6.521 1.00 0.00 O ATOM 1312 CB GLU A 87 0.252 -9.280 -8.827 1.00 0.00 C ATOM 1313 CG GLU A 87 -0.727 -8.638 -7.859 1.00 0.00 C ATOM 1314 CD GLU A 87 -2.173 -8.854 -8.262 1.00 0.00 C ATOM 1315 OE1 GLU A 87 -2.458 -8.845 -9.478 1.00 0.00 O ATOM 1316 OE2 GLU A 87 -3.019 -9.034 -7.361 1.00 0.00 O ATOM 0 H GLU A 87 0.354 -11.031 -7.093 1.00 0.00 H new ATOM 0 HA GLU A 87 2.224 -10.129 -8.936 1.00 0.00 H new ATOM 0 HB2 GLU A 87 0.466 -8.578 -9.633 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -0.218 -10.153 -9.281 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -0.567 -9.047 -6.861 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -0.526 -7.568 -7.801 1.00 0.00 H new ATOM 1323 N ILE A 88 3.326 -8.035 -8.209 1.00 0.00 N ATOM 1324 CA ILE A 88 4.076 -6.882 -7.728 1.00 0.00 C ATOM 1325 C ILE A 88 4.178 -5.805 -8.803 1.00 0.00 C ATOM 1326 O ILE A 88 3.627 -5.948 -9.895 1.00 0.00 O ATOM 1327 CB ILE A 88 5.495 -7.280 -7.280 1.00 0.00 C ATOM 1328 CG1 ILE A 88 6.251 -7.941 -8.435 1.00 0.00 C ATOM 1329 CG2 ILE A 88 5.429 -8.212 -6.080 1.00 0.00 C ATOM 1330 CD1 ILE A 88 7.748 -7.730 -8.376 1.00 0.00 C ATOM 0 H ILE A 88 3.689 -8.446 -9.069 1.00 0.00 H new ATOM 0 HA ILE A 88 3.531 -6.486 -6.871 1.00 0.00 H new ATOM 0 HB ILE A 88 6.034 -6.379 -6.986 1.00 0.00 H new ATOM 0 HG12 ILE A 88 6.042 -9.011 -8.430 1.00 0.00 H new ATOM 0 HG13 ILE A 88 5.873 -7.547 -9.379 1.00 0.00 H new ATOM 0 HG21 ILE A 88 6.439 -8.485 -5.775 1.00 0.00 H new ATOM 0 HG22 ILE A 88 4.924 -7.708 -5.255 1.00 0.00 H new ATOM 0 HG23 ILE A 88 4.876 -9.112 -6.348 1.00 0.00 H new ATOM 0 HD11 ILE A 88 8.219 -8.226 -9.225 1.00 0.00 H new ATOM 0 HD12 ILE A 88 7.967 -6.663 -8.412 1.00 0.00 H new ATOM 0 HD13 ILE A 88 8.138 -8.149 -7.449 1.00 0.00 H new ATOM 1342 N PHE A 89 4.887 -4.727 -8.488 1.00 0.00 N ATOM 1343 CA PHE A 89 5.063 -3.625 -9.427 1.00 0.00 C ATOM 1344 C PHE A 89 6.431 -2.973 -9.251 1.00 0.00 C ATOM 1345 O PHE A 89 7.240 -3.413 -8.434 1.00 0.00 O ATOM 1346 CB PHE A 89 3.959 -2.582 -9.235 1.00 0.00 C ATOM 1347 CG PHE A 89 3.801 -2.133 -7.810 1.00 0.00 C ATOM 1348 CD1 PHE A 89 4.650 -1.178 -7.273 1.00 0.00 C ATOM 1349 CD2 PHE A 89 2.805 -2.665 -7.008 1.00 0.00 C ATOM 1350 CE1 PHE A 89 4.506 -0.762 -5.963 1.00 0.00 C ATOM 1351 CE2 PHE A 89 2.656 -2.253 -5.698 1.00 0.00 C ATOM 1352 CZ PHE A 89 3.509 -1.301 -5.174 1.00 0.00 C ATOM 0 H PHE A 89 5.350 -4.592 -7.589 1.00 0.00 H new ATOM 0 HA PHE A 89 5.000 -4.028 -10.438 1.00 0.00 H new ATOM 0 HB2 PHE A 89 4.176 -1.715 -9.859 1.00 0.00 H new ATOM 0 HB3 PHE A 89 3.013 -2.997 -9.584 1.00 0.00 H new ATOM 0 HD1 PHE A 89 5.433 -0.754 -7.885 1.00 0.00 H new ATOM 0 HD2 PHE A 89 2.137 -3.411 -7.412 1.00 0.00 H new ATOM 0 HE1 PHE A 89 5.173 -0.016 -5.557 1.00 0.00 H new ATOM 0 HE2 PHE A 89 1.874 -2.675 -5.084 1.00 0.00 H new ATOM 0 HZ PHE A 89 3.396 -0.979 -4.149 1.00 0.00 H new ATOM 1362 N ASP A 90 6.682 -1.921 -10.023 1.00 0.00 N ATOM 1363 CA ASP A 90 7.951 -1.207 -9.953 1.00 0.00 C ATOM 1364 C ASP A 90 7.798 0.099 -9.180 1.00 0.00 C ATOM 1365 O ASP A 90 6.700 0.635 -9.030 1.00 0.00 O ATOM 1366 CB ASP A 90 8.479 -0.922 -11.360 1.00 0.00 C ATOM 1367 CG ASP A 90 9.344 -2.047 -11.893 1.00 0.00 C ATOM 1368 OD1 ASP A 90 8.862 -3.198 -11.935 1.00 0.00 O ATOM 1369 OD2 ASP A 90 10.505 -1.777 -12.267 1.00 0.00 O ATOM 0 H ASP A 90 6.023 -1.544 -10.704 1.00 0.00 H new ATOM 0 HA ASP A 90 8.666 -1.839 -9.426 1.00 0.00 H new ATOM 0 HB2 ASP A 90 7.638 -0.763 -12.035 1.00 0.00 H new ATOM 0 HB3 ASP A 90 9.057 0.002 -11.348 1.00 0.00 H new ATOM 1374 N PRO A 91 8.925 0.624 -8.675 1.00 0.00 N ATOM 1375 CA PRO A 91 8.942 1.873 -7.908 1.00 0.00 C ATOM 1376 C PRO A 91 8.647 3.091 -8.777 1.00 0.00 C ATOM 1377 O PRO A 91 8.452 4.195 -8.269 1.00 0.00 O ATOM 1378 CB PRO A 91 10.372 1.937 -7.366 1.00 0.00 C ATOM 1379 CG PRO A 91 11.178 1.133 -8.327 1.00 0.00 C ATOM 1380 CD PRO A 91 10.269 0.039 -8.816 1.00 0.00 C ATOM 0 HA PRO A 91 8.176 1.885 -7.132 1.00 0.00 H new ATOM 0 HB2 PRO A 91 10.730 2.965 -7.313 1.00 0.00 H new ATOM 0 HB3 PRO A 91 10.432 1.526 -6.358 1.00 0.00 H new ATOM 0 HG2 PRO A 91 11.527 1.750 -9.155 1.00 0.00 H new ATOM 0 HG3 PRO A 91 12.063 0.718 -7.843 1.00 0.00 H new ATOM 0 HD2 PRO A 91 10.484 -0.230 -9.850 1.00 0.00 H new ATOM 0 HD3 PRO A 91 10.377 -0.869 -8.222 1.00 0.00 H new ATOM 1388 N ASP A 92 8.615 2.882 -10.089 1.00 0.00 N ATOM 1389 CA ASP A 92 8.342 3.964 -11.029 1.00 0.00 C ATOM 1390 C ASP A 92 6.862 4.005 -11.394 1.00 0.00 C ATOM 1391 O ASP A 92 6.294 5.077 -11.605 1.00 0.00 O ATOM 1392 CB ASP A 92 9.188 3.796 -12.292 1.00 0.00 C ATOM 1393 CG ASP A 92 10.599 3.332 -11.986 1.00 0.00 C ATOM 1394 OD1 ASP A 92 11.411 4.164 -11.532 1.00 0.00 O ATOM 1395 OD2 ASP A 92 10.891 2.137 -12.203 1.00 0.00 O ATOM 0 H ASP A 92 8.775 1.974 -10.526 1.00 0.00 H new ATOM 0 HA ASP A 92 8.605 4.906 -10.548 1.00 0.00 H new ATOM 0 HB2 ASP A 92 8.708 3.076 -12.955 1.00 0.00 H new ATOM 0 HB3 ASP A 92 9.229 4.745 -12.828 1.00 0.00 H new ATOM 1400 N ASP A 93 6.244 2.832 -11.469 1.00 0.00 N ATOM 1401 CA ASP A 93 4.829 2.733 -11.810 1.00 0.00 C ATOM 1402 C ASP A 93 3.966 3.402 -10.745 1.00 0.00 C ATOM 1403 O ASP A 93 3.007 4.109 -11.061 1.00 0.00 O ATOM 1404 CB ASP A 93 4.421 1.267 -11.968 1.00 0.00 C ATOM 1405 CG ASP A 93 5.156 0.581 -13.102 1.00 0.00 C ATOM 1406 OD1 ASP A 93 6.401 0.668 -13.141 1.00 0.00 O ATOM 1407 OD2 ASP A 93 4.485 -0.042 -13.952 1.00 0.00 O ATOM 0 H ASP A 93 6.700 1.936 -11.298 1.00 0.00 H new ATOM 0 HA ASP A 93 4.672 3.249 -12.757 1.00 0.00 H new ATOM 0 HB2 ASP A 93 4.618 0.736 -11.037 1.00 0.00 H new ATOM 0 HB3 ASP A 93 3.347 1.209 -12.147 1.00 0.00 H new ATOM 1412 N LEU A 94 4.311 3.175 -9.482 1.00 0.00 N ATOM 1413 CA LEU A 94 3.567 3.755 -8.370 1.00 0.00 C ATOM 1414 C LEU A 94 3.860 5.246 -8.237 1.00 0.00 C ATOM 1415 O LEU A 94 2.949 6.074 -8.271 1.00 0.00 O ATOM 1416 CB LEU A 94 3.918 3.037 -7.066 1.00 0.00 C ATOM 1417 CG LEU A 94 3.412 3.692 -5.781 1.00 0.00 C ATOM 1418 CD1 LEU A 94 1.896 3.817 -5.806 1.00 0.00 C ATOM 1419 CD2 LEU A 94 3.863 2.898 -4.563 1.00 0.00 C ATOM 0 H LEU A 94 5.101 2.593 -9.203 1.00 0.00 H new ATOM 0 HA LEU A 94 2.503 3.629 -8.572 1.00 0.00 H new ATOM 0 HB2 LEU A 94 3.520 2.023 -7.114 1.00 0.00 H new ATOM 0 HB3 LEU A 94 5.003 2.951 -7.003 1.00 0.00 H new ATOM 0 HG LEU A 94 3.838 4.693 -5.715 1.00 0.00 H new ATOM 0 HD11 LEU A 94 1.554 4.285 -4.883 1.00 0.00 H new ATOM 0 HD12 LEU A 94 1.595 4.429 -6.656 1.00 0.00 H new ATOM 0 HD13 LEU A 94 1.451 2.826 -5.896 1.00 0.00 H new ATOM 0 HD21 LEU A 94 3.493 3.379 -3.658 1.00 0.00 H new ATOM 0 HD22 LEU A 94 3.467 1.884 -4.622 1.00 0.00 H new ATOM 0 HD23 LEU A 94 4.952 2.861 -4.536 1.00 0.00 H new ATOM 1431 N TYR A 95 5.137 5.582 -8.088 1.00 0.00 N ATOM 1432 CA TYR A 95 5.550 6.973 -7.950 1.00 0.00 C ATOM 1433 C TYR A 95 4.983 7.825 -9.082 1.00 0.00 C ATOM 1434 O TYR A 95 4.293 8.816 -8.843 1.00 0.00 O ATOM 1435 CB TYR A 95 7.076 7.074 -7.937 1.00 0.00 C ATOM 1436 CG TYR A 95 7.594 8.330 -7.271 1.00 0.00 C ATOM 1437 CD1 TYR A 95 7.735 9.512 -7.988 1.00 0.00 C ATOM 1438 CD2 TYR A 95 7.943 8.334 -5.927 1.00 0.00 C ATOM 1439 CE1 TYR A 95 8.208 10.661 -7.385 1.00 0.00 C ATOM 1440 CE2 TYR A 95 8.415 9.479 -5.315 1.00 0.00 C ATOM 1441 CZ TYR A 95 8.546 10.639 -6.048 1.00 0.00 C ATOM 1442 OH TYR A 95 9.018 11.782 -5.442 1.00 0.00 O ATOM 0 H TYR A 95 5.904 4.910 -8.060 1.00 0.00 H new ATOM 0 HA TYR A 95 5.159 7.350 -7.005 1.00 0.00 H new ATOM 0 HB2 TYR A 95 7.485 6.205 -7.422 1.00 0.00 H new ATOM 0 HB3 TYR A 95 7.443 7.039 -8.963 1.00 0.00 H new ATOM 0 HD1 TYR A 95 7.470 9.533 -9.035 1.00 0.00 H new ATOM 0 HD2 TYR A 95 7.844 7.426 -5.350 1.00 0.00 H new ATOM 0 HE1 TYR A 95 8.313 11.571 -7.957 1.00 0.00 H new ATOM 0 HE2 TYR A 95 8.680 9.465 -4.268 1.00 0.00 H new ATOM 0 HH TYR A 95 9.209 11.597 -4.499 1.00 0.00 H new ATOM 1452 N SER A 96 5.278 7.430 -10.316 1.00 0.00 N ATOM 1453 CA SER A 96 4.801 8.157 -11.487 1.00 0.00 C ATOM 1454 C SER A 96 3.307 7.930 -11.695 1.00 0.00 C ATOM 1455 O SER A 96 2.552 8.871 -11.933 1.00 0.00 O ATOM 1456 CB SER A 96 5.574 7.723 -12.733 1.00 0.00 C ATOM 1457 OG SER A 96 6.961 7.973 -12.587 1.00 0.00 O ATOM 0 H SER A 96 5.845 6.610 -10.531 1.00 0.00 H new ATOM 0 HA SER A 96 4.969 9.221 -11.318 1.00 0.00 H new ATOM 0 HB2 SER A 96 5.410 6.661 -12.914 1.00 0.00 H new ATOM 0 HB3 SER A 96 5.195 8.257 -13.604 1.00 0.00 H new ATOM 0 HG SER A 96 7.432 7.685 -13.397 1.00 0.00 H new ATOM 1463 N GLY A 97 2.888 6.671 -11.605 1.00 0.00 N ATOM 1464 CA GLY A 97 1.486 6.342 -11.787 1.00 0.00 C ATOM 1465 C GLY A 97 1.173 5.899 -13.202 1.00 0.00 C ATOM 1466 O GLY A 97 0.194 6.346 -13.798 1.00 0.00 O ATOM 0 H GLY A 97 3.494 5.874 -11.410 1.00 0.00 H new ATOM 0 HA2 GLY A 97 1.209 5.549 -11.092 1.00 0.00 H new ATOM 0 HA3 GLY A 97 0.877 7.211 -11.539 1.00 0.00 H new ATOM 1470 N VAL A 98 2.009 5.018 -13.743 1.00 0.00 N ATOM 1471 CA VAL A 98 1.817 4.515 -15.098 1.00 0.00 C ATOM 1472 C VAL A 98 0.875 3.316 -15.112 1.00 0.00 C ATOM 1473 O VAL A 98 -0.116 3.301 -15.839 1.00 0.00 O ATOM 1474 CB VAL A 98 3.157 4.108 -15.741 1.00 0.00 C ATOM 1475 CG1 VAL A 98 2.930 3.536 -17.132 1.00 0.00 C ATOM 1476 CG2 VAL A 98 4.105 5.297 -15.793 1.00 0.00 C ATOM 0 H VAL A 98 2.825 4.638 -13.264 1.00 0.00 H new ATOM 0 HA VAL A 98 1.376 5.327 -15.677 1.00 0.00 H new ATOM 0 HB VAL A 98 3.615 3.333 -15.126 1.00 0.00 H new ATOM 0 HG11 VAL A 98 3.887 3.254 -17.570 1.00 0.00 H new ATOM 0 HG12 VAL A 98 2.289 2.657 -17.064 1.00 0.00 H new ATOM 0 HG13 VAL A 98 2.450 4.287 -17.760 1.00 0.00 H new ATOM 0 HG21 VAL A 98 5.046 4.992 -16.250 1.00 0.00 H new ATOM 0 HG22 VAL A 98 3.656 6.095 -16.385 1.00 0.00 H new ATOM 0 HG23 VAL A 98 4.293 5.657 -14.782 1.00 0.00 H new ATOM 1486 N ASN A 99 1.193 2.313 -14.300 1.00 0.00 N ATOM 1487 CA ASN A 99 0.374 1.108 -14.218 1.00 0.00 C ATOM 1488 C ASN A 99 -0.144 0.898 -12.799 1.00 0.00 C ATOM 1489 O ASN A 99 -0.067 -0.204 -12.255 1.00 0.00 O ATOM 1490 CB ASN A 99 1.181 -0.113 -14.665 1.00 0.00 C ATOM 1491 CG ASN A 99 1.133 -0.320 -16.166 1.00 0.00 C ATOM 1492 OD1 ASN A 99 0.368 0.339 -16.871 1.00 0.00 O ATOM 1493 ND2 ASN A 99 1.953 -1.239 -16.663 1.00 0.00 N ATOM 0 H ASN A 99 2.011 2.310 -13.690 1.00 0.00 H new ATOM 0 HA ASN A 99 -0.481 1.233 -14.882 1.00 0.00 H new ATOM 0 HB2 ASN A 99 2.218 0.005 -14.350 1.00 0.00 H new ATOM 0 HB3 ASN A 99 0.796 -1.002 -14.166 1.00 0.00 H new ATOM 0 HD21 ASN A 99 1.966 -1.422 -17.666 1.00 0.00 H new ATOM 0 HD22 ASN A 99 2.570 -1.762 -16.041 1.00 0.00 H new ATOM 1500 N PHE A 100 -0.672 1.963 -12.204 1.00 0.00 N ATOM 1501 CA PHE A 100 -1.203 1.896 -10.847 1.00 0.00 C ATOM 1502 C PHE A 100 -2.056 0.645 -10.658 1.00 0.00 C ATOM 1503 O PHE A 100 -1.966 -0.032 -9.634 1.00 0.00 O ATOM 1504 CB PHE A 100 -2.032 3.144 -10.539 1.00 0.00 C ATOM 1505 CG PHE A 100 -2.754 3.074 -9.224 1.00 0.00 C ATOM 1506 CD1 PHE A 100 -2.065 2.797 -8.054 1.00 0.00 C ATOM 1507 CD2 PHE A 100 -4.122 3.286 -9.158 1.00 0.00 C ATOM 1508 CE1 PHE A 100 -2.728 2.732 -6.843 1.00 0.00 C ATOM 1509 CE2 PHE A 100 -4.790 3.222 -7.949 1.00 0.00 C ATOM 1510 CZ PHE A 100 -4.092 2.946 -6.790 1.00 0.00 C ATOM 0 H PHE A 100 -0.744 2.882 -12.640 1.00 0.00 H new ATOM 0 HA PHE A 100 -0.361 1.848 -10.156 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -1.377 4.015 -10.539 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -2.760 3.293 -11.337 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -0.999 2.630 -8.089 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -4.673 3.504 -10.061 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -2.180 2.514 -5.938 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -5.857 3.388 -7.911 1.00 0.00 H new ATOM 0 HZ PHE A 100 -4.611 2.898 -5.844 1.00 0.00 H new ATOM 1520 N SER A 101 -2.884 0.345 -11.653 1.00 0.00 N ATOM 1521 CA SER A 101 -3.758 -0.821 -11.596 1.00 0.00 C ATOM 1522 C SER A 101 -3.054 -1.994 -10.921 1.00 0.00 C ATOM 1523 O SER A 101 -3.657 -2.729 -10.138 1.00 0.00 O ATOM 1524 CB SER A 101 -4.203 -1.221 -13.004 1.00 0.00 C ATOM 1525 OG SER A 101 -5.305 -2.111 -12.957 1.00 0.00 O ATOM 0 H SER A 101 -2.968 0.893 -12.509 1.00 0.00 H new ATOM 0 HA SER A 101 -4.636 -0.558 -11.006 1.00 0.00 H new ATOM 0 HB2 SER A 101 -4.475 -0.330 -13.570 1.00 0.00 H new ATOM 0 HB3 SER A 101 -3.373 -1.692 -13.531 1.00 0.00 H new ATOM 0 HG SER A 101 -5.571 -2.350 -13.869 1.00 0.00 H new ATOM 1531 N LYS A 102 -1.773 -2.164 -11.228 1.00 0.00 N ATOM 1532 CA LYS A 102 -0.984 -3.246 -10.652 1.00 0.00 C ATOM 1533 C LYS A 102 -0.867 -3.088 -9.139 1.00 0.00 C ATOM 1534 O LYS A 102 -1.122 -4.028 -8.385 1.00 0.00 O ATOM 1535 CB LYS A 102 0.411 -3.279 -11.280 1.00 0.00 C ATOM 1536 CG LYS A 102 0.411 -3.704 -12.739 1.00 0.00 C ATOM 1537 CD LYS A 102 1.820 -3.746 -13.307 1.00 0.00 C ATOM 1538 CE LYS A 102 2.474 -5.099 -13.076 1.00 0.00 C ATOM 1539 NZ LYS A 102 2.045 -6.103 -14.089 1.00 0.00 N ATOM 0 H LYS A 102 -1.258 -1.565 -11.874 1.00 0.00 H new ATOM 0 HA LYS A 102 -1.494 -4.186 -10.864 1.00 0.00 H new ATOM 0 HB2 LYS A 102 0.861 -2.289 -11.198 1.00 0.00 H new ATOM 0 HB3 LYS A 102 1.041 -3.963 -10.711 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -0.050 -4.687 -12.833 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -0.196 -3.011 -13.321 1.00 0.00 H new ATOM 0 HD2 LYS A 102 1.789 -3.533 -14.376 1.00 0.00 H new ATOM 0 HD3 LYS A 102 2.423 -2.965 -12.844 1.00 0.00 H new ATOM 0 HE2 LYS A 102 3.558 -4.989 -13.110 1.00 0.00 H new ATOM 0 HE3 LYS A 102 2.221 -5.459 -12.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 2.513 -7.012 -13.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 1.014 -6.227 -14.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 2.309 -5.772 -15.039 1.00 0.00 H new ATOM 1553 N VAL A 103 -0.483 -1.893 -8.701 1.00 0.00 N ATOM 1554 CA VAL A 103 -0.335 -1.612 -7.278 1.00 0.00 C ATOM 1555 C VAL A 103 -1.585 -2.020 -6.505 1.00 0.00 C ATOM 1556 O VAL A 103 -1.497 -2.650 -5.450 1.00 0.00 O ATOM 1557 CB VAL A 103 -0.055 -0.118 -7.027 1.00 0.00 C ATOM 1558 CG1 VAL A 103 0.022 0.168 -5.536 1.00 0.00 C ATOM 1559 CG2 VAL A 103 1.228 0.307 -7.727 1.00 0.00 C ATOM 0 H VAL A 103 -0.269 -1.104 -9.311 1.00 0.00 H new ATOM 0 HA VAL A 103 0.514 -2.197 -6.926 1.00 0.00 H new ATOM 0 HB VAL A 103 -0.879 0.463 -7.441 1.00 0.00 H new ATOM 0 HG11 VAL A 103 0.220 1.228 -5.379 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -0.924 -0.098 -5.065 1.00 0.00 H new ATOM 0 HG13 VAL A 103 0.825 -0.421 -5.094 1.00 0.00 H new ATOM 0 HG21 VAL A 103 1.411 1.365 -7.540 1.00 0.00 H new ATOM 0 HG22 VAL A 103 2.063 -0.279 -7.344 1.00 0.00 H new ATOM 0 HG23 VAL A 103 1.130 0.140 -8.800 1.00 0.00 H new ATOM 1569 N LEU A 104 -2.747 -1.656 -7.036 1.00 0.00 N ATOM 1570 CA LEU A 104 -4.016 -1.985 -6.396 1.00 0.00 C ATOM 1571 C LEU A 104 -4.178 -3.495 -6.251 1.00 0.00 C ATOM 1572 O LEU A 104 -4.453 -3.997 -5.161 1.00 0.00 O ATOM 1573 CB LEU A 104 -5.181 -1.411 -7.205 1.00 0.00 C ATOM 1574 CG LEU A 104 -6.579 -1.663 -6.640 1.00 0.00 C ATOM 1575 CD1 LEU A 104 -6.785 -0.876 -5.355 1.00 0.00 C ATOM 1576 CD2 LEU A 104 -7.643 -1.300 -7.666 1.00 0.00 C ATOM 0 H LEU A 104 -2.837 -1.133 -7.907 1.00 0.00 H new ATOM 0 HA LEU A 104 -4.019 -1.541 -5.401 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -5.037 -0.335 -7.298 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -5.138 -1.826 -8.212 1.00 0.00 H new ATOM 0 HG LEU A 104 -6.671 -2.725 -6.411 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -7.786 -1.068 -4.967 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -6.045 -1.184 -4.617 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -6.673 0.189 -5.559 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -8.632 -1.486 -7.246 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -7.552 -0.246 -7.927 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -7.508 -1.908 -8.561 1.00 0.00 H new ATOM 1588 N SER A 105 -4.003 -4.213 -7.356 1.00 0.00 N ATOM 1589 CA SER A 105 -4.132 -5.665 -7.351 1.00 0.00 C ATOM 1590 C SER A 105 -3.110 -6.298 -6.411 1.00 0.00 C ATOM 1591 O SER A 105 -3.393 -7.295 -5.747 1.00 0.00 O ATOM 1592 CB SER A 105 -3.951 -6.218 -8.766 1.00 0.00 C ATOM 1593 OG SER A 105 -2.648 -5.951 -9.256 1.00 0.00 O ATOM 0 H SER A 105 -3.772 -3.813 -8.265 1.00 0.00 H new ATOM 0 HA SER A 105 -5.131 -5.916 -6.995 1.00 0.00 H new ATOM 0 HB2 SER A 105 -4.129 -7.293 -8.765 1.00 0.00 H new ATOM 0 HB3 SER A 105 -4.691 -5.773 -9.431 1.00 0.00 H new ATOM 0 HG SER A 105 -2.365 -5.059 -8.964 1.00 0.00 H new ATOM 1599 N THR A 106 -1.918 -5.710 -6.360 1.00 0.00 N ATOM 1600 CA THR A 106 -0.853 -6.216 -5.504 1.00 0.00 C ATOM 1601 C THR A 106 -1.292 -6.253 -4.044 1.00 0.00 C ATOM 1602 O THR A 106 -1.190 -7.286 -3.381 1.00 0.00 O ATOM 1603 CB THR A 106 0.420 -5.356 -5.624 1.00 0.00 C ATOM 1604 OG1 THR A 106 0.895 -5.371 -6.974 1.00 0.00 O ATOM 1605 CG2 THR A 106 1.508 -5.868 -4.692 1.00 0.00 C ATOM 0 H THR A 106 -1.667 -4.883 -6.902 1.00 0.00 H new ATOM 0 HA THR A 106 -0.631 -7.229 -5.840 1.00 0.00 H new ATOM 0 HB THR A 106 0.171 -4.334 -5.339 1.00 0.00 H new ATOM 0 HG1 THR A 106 0.247 -4.919 -7.554 1.00 0.00 H new ATOM 0 HG21 THR A 106 2.397 -5.246 -4.794 1.00 0.00 H new ATOM 0 HG22 THR A 106 1.153 -5.828 -3.662 1.00 0.00 H new ATOM 0 HG23 THR A 106 1.754 -6.898 -4.951 1.00 0.00 H new ATOM 1613 N LEU A 107 -1.781 -5.121 -3.550 1.00 0.00 N ATOM 1614 CA LEU A 107 -2.237 -5.025 -2.167 1.00 0.00 C ATOM 1615 C LEU A 107 -3.440 -5.932 -1.926 1.00 0.00 C ATOM 1616 O LEU A 107 -3.623 -6.458 -0.827 1.00 0.00 O ATOM 1617 CB LEU A 107 -2.600 -3.578 -1.829 1.00 0.00 C ATOM 1618 CG LEU A 107 -1.444 -2.577 -1.835 1.00 0.00 C ATOM 1619 CD1 LEU A 107 -1.968 -1.155 -1.710 1.00 0.00 C ATOM 1620 CD2 LEU A 107 -0.464 -2.887 -0.713 1.00 0.00 C ATOM 0 H LEU A 107 -1.872 -4.258 -4.085 1.00 0.00 H new ATOM 0 HA LEU A 107 -1.424 -5.351 -1.519 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -3.353 -3.238 -2.540 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -3.063 -3.562 -0.842 1.00 0.00 H new ATOM 0 HG LEU A 107 -0.917 -2.666 -2.785 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -1.131 -0.457 -1.716 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -2.629 -0.936 -2.548 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -2.520 -1.051 -0.776 1.00 0.00 H new ATOM 0 HD21 LEU A 107 0.352 -2.165 -0.733 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -0.978 -2.827 0.246 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -0.063 -3.891 -0.848 1.00 0.00 H new ATOM 1632 N LEU A 108 -4.255 -6.112 -2.959 1.00 0.00 N ATOM 1633 CA LEU A 108 -5.439 -6.958 -2.861 1.00 0.00 C ATOM 1634 C LEU A 108 -5.053 -8.402 -2.554 1.00 0.00 C ATOM 1635 O LEU A 108 -5.593 -9.017 -1.635 1.00 0.00 O ATOM 1636 CB LEU A 108 -6.242 -6.899 -4.161 1.00 0.00 C ATOM 1637 CG LEU A 108 -7.303 -5.801 -4.244 1.00 0.00 C ATOM 1638 CD1 LEU A 108 -7.836 -5.680 -5.664 1.00 0.00 C ATOM 1639 CD2 LEU A 108 -8.438 -6.080 -3.269 1.00 0.00 C ATOM 0 H LEU A 108 -4.118 -5.683 -3.874 1.00 0.00 H new ATOM 0 HA LEU A 108 -6.055 -6.584 -2.043 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -5.546 -6.767 -4.989 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -6.732 -7.862 -4.306 1.00 0.00 H new ATOM 0 HG LEU A 108 -6.839 -4.854 -3.969 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -8.590 -4.894 -5.704 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -7.018 -5.432 -6.340 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -8.283 -6.627 -5.967 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -9.183 -5.288 -3.342 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -8.900 -7.037 -3.512 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -8.045 -6.115 -2.253 1.00 0.00 H new ATOM 1651 N ALA A 109 -4.114 -8.935 -3.328 1.00 0.00 N ATOM 1652 CA ALA A 109 -3.652 -10.304 -3.137 1.00 0.00 C ATOM 1653 C ALA A 109 -3.076 -10.499 -1.738 1.00 0.00 C ATOM 1654 O ALA A 109 -3.332 -11.511 -1.085 1.00 0.00 O ATOM 1655 CB ALA A 109 -2.616 -10.664 -4.191 1.00 0.00 C ATOM 0 H ALA A 109 -3.658 -8.439 -4.094 1.00 0.00 H new ATOM 0 HA ALA A 109 -4.509 -10.968 -3.245 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -2.280 -11.689 -4.036 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -3.059 -10.574 -5.183 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -1.765 -9.987 -4.111 1.00 0.00 H new ATOM 1661 N VAL A 110 -2.296 -9.523 -1.283 1.00 0.00 N ATOM 1662 CA VAL A 110 -1.684 -9.588 0.038 1.00 0.00 C ATOM 1663 C VAL A 110 -2.735 -9.804 1.121 1.00 0.00 C ATOM 1664 O VAL A 110 -2.646 -10.746 1.907 1.00 0.00 O ATOM 1665 CB VAL A 110 -0.895 -8.303 0.354 1.00 0.00 C ATOM 1666 CG1 VAL A 110 -0.329 -8.357 1.765 1.00 0.00 C ATOM 1667 CG2 VAL A 110 0.214 -8.095 -0.666 1.00 0.00 C ATOM 0 H VAL A 110 -2.073 -8.679 -1.810 1.00 0.00 H new ATOM 0 HA VAL A 110 -0.998 -10.435 0.028 1.00 0.00 H new ATOM 0 HB VAL A 110 -1.577 -7.455 0.294 1.00 0.00 H new ATOM 0 HG11 VAL A 110 0.225 -7.441 1.970 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -1.145 -8.456 2.481 1.00 0.00 H new ATOM 0 HG13 VAL A 110 0.339 -9.213 1.856 1.00 0.00 H new ATOM 0 HG21 VAL A 110 0.761 -7.183 -0.428 1.00 0.00 H new ATOM 0 HG22 VAL A 110 0.896 -8.945 -0.640 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -0.220 -8.008 -1.662 1.00 0.00 H new ATOM 1677 N ASN A 111 -3.732 -8.926 1.155 1.00 0.00 N ATOM 1678 CA ASN A 111 -4.801 -9.021 2.142 1.00 0.00 C ATOM 1679 C ASN A 111 -5.366 -10.437 2.198 1.00 0.00 C ATOM 1680 O ASN A 111 -5.527 -11.011 3.275 1.00 0.00 O ATOM 1681 CB ASN A 111 -5.917 -8.028 1.812 1.00 0.00 C ATOM 1682 CG ASN A 111 -7.249 -8.434 2.414 1.00 0.00 C ATOM 1683 OD1 ASN A 111 -8.018 -9.175 1.803 1.00 0.00 O ATOM 1684 ND2 ASN A 111 -7.526 -7.948 3.618 1.00 0.00 N ATOM 0 H ASN A 111 -3.822 -8.141 0.510 1.00 0.00 H new ATOM 0 HA ASN A 111 -4.383 -8.777 3.118 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -5.641 -7.040 2.180 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -6.020 -7.948 0.730 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -8.407 -8.186 4.074 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -6.858 -7.337 4.087 1.00 0.00 H new ATOM 1691 N LYS A 112 -5.663 -10.996 1.029 1.00 0.00 N ATOM 1692 CA LYS A 112 -6.207 -12.346 0.943 1.00 0.00 C ATOM 1693 C LYS A 112 -5.319 -13.339 1.684 1.00 0.00 C ATOM 1694 O LYS A 112 -5.811 -14.232 2.373 1.00 0.00 O ATOM 1695 CB LYS A 112 -6.351 -12.767 -0.522 1.00 0.00 C ATOM 1696 CG LYS A 112 -7.289 -13.943 -0.727 1.00 0.00 C ATOM 1697 CD LYS A 112 -8.739 -13.546 -0.502 1.00 0.00 C ATOM 1698 CE LYS A 112 -9.690 -14.671 -0.882 1.00 0.00 C ATOM 1699 NZ LYS A 112 -9.899 -15.624 0.242 1.00 0.00 N ATOM 0 H LYS A 112 -5.536 -10.535 0.128 1.00 0.00 H new ATOM 0 HA LYS A 112 -7.190 -12.345 1.413 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -6.714 -11.918 -1.101 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -5.368 -13.024 -0.916 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -7.170 -14.332 -1.738 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -7.021 -14.747 -0.042 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -8.887 -13.281 0.545 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -8.970 -12.658 -1.091 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -10.649 -14.250 -1.184 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -9.292 -15.207 -1.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -10.553 -16.375 -0.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -8.988 -16.046 0.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -10.302 -15.118 1.056 1.00 0.00 H new ATOM 1713 N ALA A 113 -4.008 -13.177 1.538 1.00 0.00 N ATOM 1714 CA ALA A 113 -3.051 -14.058 2.197 1.00 0.00 C ATOM 1715 C ALA A 113 -3.049 -13.836 3.706 1.00 0.00 C ATOM 1716 O ALA A 113 -2.944 -14.784 4.484 1.00 0.00 O ATOM 1717 CB ALA A 113 -1.657 -13.842 1.628 1.00 0.00 C ATOM 0 H ALA A 113 -3.584 -12.444 0.969 1.00 0.00 H new ATOM 0 HA ALA A 113 -3.353 -15.088 2.008 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -0.953 -14.506 2.129 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -1.663 -14.058 0.560 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -1.355 -12.807 1.787 1.00 0.00 H new ATOM 1723 N THR A 114 -3.165 -12.576 4.114 1.00 0.00 N ATOM 1724 CA THR A 114 -3.175 -12.229 5.530 1.00 0.00 C ATOM 1725 C THR A 114 -4.593 -12.237 6.088 1.00 0.00 C ATOM 1726 O THR A 114 -4.858 -11.655 7.140 1.00 0.00 O ATOM 1727 CB THR A 114 -2.547 -10.843 5.773 1.00 0.00 C ATOM 1728 OG1 THR A 114 -3.295 -9.838 5.080 1.00 0.00 O ATOM 1729 CG2 THR A 114 -1.099 -10.816 5.307 1.00 0.00 C ATOM 0 H THR A 114 -3.253 -11.779 3.484 1.00 0.00 H new ATOM 0 HA THR A 114 -2.581 -12.984 6.045 1.00 0.00 H new ATOM 0 HB THR A 114 -2.572 -10.640 6.844 1.00 0.00 H new ATOM 0 HG1 THR A 114 -4.012 -10.262 4.564 1.00 0.00 H new ATOM 0 HG21 THR A 114 -0.677 -9.828 5.489 1.00 0.00 H new ATOM 0 HG22 THR A 114 -0.526 -11.562 5.857 1.00 0.00 H new ATOM 0 HG23 THR A 114 -1.056 -11.039 4.241 1.00 0.00 H new