USER MOD reduce.3.24.130724 H: found=0, std=0, add=782, rem=0, adj=18 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 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 180:sc= -0.119 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 46 CYS SG : rot 65:sc= -0.49 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= -0.0401 K(o=-0.04,f=-6.8!) USER MOD Single : A 53 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 143:sc= -0.843 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 CYS SG : rot 160:sc= 0.00409 USER MOD Single : A 65 GLN : amide:sc= -0.227 K(o=-0.23,f=-1.4) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 CYS SG : rot -150:sc= 0.0856! USER MOD Single : A 72 ASN : amide:sc= -0.302 K(o=-0.3,f=-2.3!) USER MOD Single : A 73 ASN : amide:sc= -0.213 K(o=-0.21,f=-6.6!) USER MOD Single : A 75 ASN : amide:sc= -1.46! K(o=-1.5!,f=-0.15) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 CYS SG : rot 53:sc= -4.65! USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= -0.0273 K(o=-0.027,f=-1.5!) USER MOD Single : A 95 TYR OH : rot 180:sc= -0.404 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= -0.0526 K(o=-0.053,f=-1.3!) 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 -27:sc= 0.492 USER MOD Single : A 106 THR OG1 : rot 81:sc= 1.15 USER MOD Single : A 111 ASN : amide:sc= 0.133 X(o=0.13,f=0) USER MOD Single : A 112 LYS NZ :NH3+ -157:sc= -0.116 (180deg=-0.471) USER MOD Single : A 114 THR OG1 : rot -0:sc= 0.567 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -12.670 -1.450 -5.609 1.00 0.00 N ATOM 60 CA GLY A 7 -11.541 -1.931 -4.833 1.00 0.00 C ATOM 61 C GLY A 7 -10.729 -0.802 -4.230 1.00 0.00 C ATOM 62 O GLY A 7 -10.228 -0.919 -3.113 1.00 0.00 O ATOM 0 HA2 GLY A 7 -11.902 -2.581 -4.036 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -10.897 -2.537 -5.471 1.00 0.00 H new ATOM 66 N GLU A 8 -10.598 0.293 -4.973 1.00 0.00 N ATOM 67 CA GLU A 8 -9.838 1.446 -4.505 1.00 0.00 C ATOM 68 C GLU A 8 -10.212 1.796 -3.067 1.00 0.00 C ATOM 69 O GLU A 8 -9.342 2.045 -2.233 1.00 0.00 O ATOM 70 CB GLU A 8 -10.083 2.650 -5.416 1.00 0.00 C ATOM 71 CG GLU A 8 -9.580 2.452 -6.836 1.00 0.00 C ATOM 72 CD GLU A 8 -10.371 3.253 -7.852 1.00 0.00 C ATOM 73 OE1 GLU A 8 -11.441 3.783 -7.486 1.00 0.00 O ATOM 74 OE2 GLU A 8 -9.921 3.348 -9.013 1.00 0.00 O ATOM 0 H GLU A 8 -11.008 0.406 -5.900 1.00 0.00 H new ATOM 0 HA GLU A 8 -8.779 1.188 -4.534 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -11.152 2.862 -5.445 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -9.596 3.525 -4.986 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -8.530 2.740 -6.889 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -9.633 1.394 -7.092 1.00 0.00 H new ATOM 81 N GLU A 9 -11.511 1.815 -2.788 1.00 0.00 N ATOM 82 CA GLU A 9 -12.000 2.137 -1.452 1.00 0.00 C ATOM 83 C GLU A 9 -11.632 1.039 -0.459 1.00 0.00 C ATOM 84 O GLU A 9 -11.225 1.319 0.668 1.00 0.00 O ATOM 85 CB GLU A 9 -13.518 2.332 -1.474 1.00 0.00 C ATOM 86 CG GLU A 9 -14.080 2.877 -0.172 1.00 0.00 C ATOM 87 CD GLU A 9 -15.376 3.639 -0.369 1.00 0.00 C ATOM 88 OE1 GLU A 9 -15.514 4.314 -1.410 1.00 0.00 O ATOM 89 OE2 GLU A 9 -16.252 3.560 0.518 1.00 0.00 O ATOM 0 H GLU A 9 -12.243 1.612 -3.468 1.00 0.00 H new ATOM 0 HA GLU A 9 -11.526 3.065 -1.133 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -13.777 3.013 -2.285 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -13.995 1.377 -1.695 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -14.250 2.052 0.520 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -13.343 3.534 0.290 1.00 0.00 H new ATOM 96 N GLN A 10 -11.778 -0.211 -0.886 1.00 0.00 N ATOM 97 CA GLN A 10 -11.462 -1.351 -0.034 1.00 0.00 C ATOM 98 C GLN A 10 -10.053 -1.230 0.537 1.00 0.00 C ATOM 99 O GLN A 10 -9.812 -1.563 1.697 1.00 0.00 O ATOM 100 CB GLN A 10 -11.596 -2.656 -0.821 1.00 0.00 C ATOM 101 CG GLN A 10 -13.003 -3.233 -0.807 1.00 0.00 C ATOM 102 CD GLN A 10 -13.014 -4.744 -0.923 1.00 0.00 C ATOM 103 OE1 GLN A 10 -12.867 -5.456 0.071 1.00 0.00 O ATOM 104 NE2 GLN A 10 -13.190 -5.244 -2.141 1.00 0.00 N ATOM 0 H GLN A 10 -12.113 -0.460 -1.817 1.00 0.00 H new ATOM 0 HA GLN A 10 -12.170 -1.360 0.794 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -11.294 -2.480 -1.854 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -10.906 -3.392 -0.408 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -13.503 -2.939 0.116 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -13.576 -2.805 -1.630 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -13.308 -4.618 -2.937 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -13.207 -6.254 -2.280 1.00 0.00 H new ATOM 113 N ILE A 11 -9.126 -0.753 -0.287 1.00 0.00 N ATOM 114 CA ILE A 11 -7.741 -0.588 0.137 1.00 0.00 C ATOM 115 C ILE A 11 -7.599 0.577 1.110 1.00 0.00 C ATOM 116 O ILE A 11 -7.030 0.431 2.192 1.00 0.00 O ATOM 117 CB ILE A 11 -6.808 -0.354 -1.066 1.00 0.00 C ATOM 118 CG1 ILE A 11 -6.879 -1.539 -2.032 1.00 0.00 C ATOM 119 CG2 ILE A 11 -5.379 -0.134 -0.594 1.00 0.00 C ATOM 120 CD1 ILE A 11 -6.233 -2.796 -1.495 1.00 0.00 C ATOM 0 H ILE A 11 -9.309 -0.474 -1.251 1.00 0.00 H new ATOM 0 HA ILE A 11 -7.452 -1.513 0.636 1.00 0.00 H new ATOM 0 HB ILE A 11 -7.137 0.541 -1.593 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -7.924 -1.747 -2.262 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -6.395 -1.263 -2.969 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -4.732 0.030 -1.456 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -5.342 0.738 0.059 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -5.038 -1.012 -0.046 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -6.321 -3.594 -2.232 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -5.179 -2.605 -1.291 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -6.732 -3.097 -0.574 1.00 0.00 H new ATOM 132 N VAL A 12 -8.121 1.735 0.718 1.00 0.00 N ATOM 133 CA VAL A 12 -8.056 2.926 1.557 1.00 0.00 C ATOM 134 C VAL A 12 -8.519 2.624 2.978 1.00 0.00 C ATOM 135 O VAL A 12 -7.773 2.813 3.940 1.00 0.00 O ATOM 136 CB VAL A 12 -8.915 4.067 0.980 1.00 0.00 C ATOM 137 CG1 VAL A 12 -9.006 5.219 1.969 1.00 0.00 C ATOM 138 CG2 VAL A 12 -8.350 4.538 -0.351 1.00 0.00 C ATOM 0 H VAL A 12 -8.594 1.874 -0.175 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.013 3.242 1.578 1.00 0.00 H new ATOM 0 HB VAL A 12 -9.922 3.689 0.807 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -9.617 6.016 1.544 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -9.461 4.868 2.895 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -8.006 5.600 2.177 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -8.969 5.344 -0.744 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -7.332 4.900 -0.207 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -8.343 3.708 -1.058 1.00 0.00 H new ATOM 148 N THR A 13 -9.755 2.153 3.104 1.00 0.00 N ATOM 149 CA THR A 13 -10.319 1.825 4.407 1.00 0.00 C ATOM 150 C THR A 13 -9.510 0.732 5.097 1.00 0.00 C ATOM 151 O THR A 13 -9.349 0.743 6.317 1.00 0.00 O ATOM 152 CB THR A 13 -11.784 1.364 4.285 1.00 0.00 C ATOM 153 OG1 THR A 13 -12.566 2.381 3.649 1.00 0.00 O ATOM 154 CG2 THR A 13 -12.368 1.050 5.655 1.00 0.00 C ATOM 0 H THR A 13 -10.385 1.990 2.319 1.00 0.00 H new ATOM 0 HA THR A 13 -10.281 2.735 5.006 1.00 0.00 H new ATOM 0 HB THR A 13 -11.808 0.457 3.681 1.00 0.00 H new ATOM 0 HG1 THR A 13 -13.495 2.080 3.574 1.00 0.00 H new ATOM 0 HG21 THR A 13 -13.403 0.727 5.544 1.00 0.00 H new ATOM 0 HG22 THR A 13 -11.788 0.255 6.124 1.00 0.00 H new ATOM 0 HG23 THR A 13 -12.332 1.943 6.279 1.00 0.00 H new ATOM 162 N TRP A 14 -9.003 -0.209 4.308 1.00 0.00 N ATOM 163 CA TRP A 14 -8.210 -1.309 4.844 1.00 0.00 C ATOM 164 C TRP A 14 -6.988 -0.785 5.592 1.00 0.00 C ATOM 165 O TRP A 14 -6.889 -0.922 6.812 1.00 0.00 O ATOM 166 CB TRP A 14 -7.771 -2.245 3.717 1.00 0.00 C ATOM 167 CG TRP A 14 -6.948 -3.403 4.194 1.00 0.00 C ATOM 168 CD1 TRP A 14 -7.181 -4.175 5.296 1.00 0.00 C ATOM 169 CD2 TRP A 14 -5.761 -3.920 3.583 1.00 0.00 C ATOM 170 NE1 TRP A 14 -6.209 -5.140 5.408 1.00 0.00 N ATOM 171 CE2 TRP A 14 -5.327 -5.006 4.369 1.00 0.00 C ATOM 172 CE3 TRP A 14 -5.023 -3.573 2.448 1.00 0.00 C ATOM 173 CZ2 TRP A 14 -4.189 -5.743 4.055 1.00 0.00 C ATOM 174 CZ3 TRP A 14 -3.893 -4.306 2.138 1.00 0.00 C ATOM 175 CH2 TRP A 14 -3.485 -5.381 2.938 1.00 0.00 C ATOM 0 H TRP A 14 -9.127 -0.232 3.296 1.00 0.00 H new ATOM 0 HA TRP A 14 -8.832 -1.864 5.546 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -8.655 -2.624 3.204 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -7.196 -1.677 2.985 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -8.008 -4.046 5.979 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -6.153 -5.842 6.146 1.00 0.00 H new ATOM 0 HE3 TRP A 14 -5.330 -2.747 1.824 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -3.872 -6.572 4.671 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 -3.315 -4.045 1.264 1.00 0.00 H new ATOM 0 HH2 TRP A 14 -2.598 -5.935 2.668 1.00 0.00 H new ATOM 186 N LEU A 15 -6.061 -0.185 4.854 1.00 0.00 N ATOM 187 CA LEU A 15 -4.845 0.360 5.448 1.00 0.00 C ATOM 188 C LEU A 15 -5.159 1.112 6.737 1.00 0.00 C ATOM 189 O LEU A 15 -4.582 0.829 7.788 1.00 0.00 O ATOM 190 CB LEU A 15 -4.144 1.293 4.458 1.00 0.00 C ATOM 191 CG LEU A 15 -3.754 0.675 3.115 1.00 0.00 C ATOM 192 CD1 LEU A 15 -3.457 1.762 2.093 1.00 0.00 C ATOM 193 CD2 LEU A 15 -2.555 -0.247 3.280 1.00 0.00 C ATOM 0 H LEU A 15 -6.128 -0.063 3.843 1.00 0.00 H new ATOM 0 HA LEU A 15 -4.182 -0.472 5.686 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -4.797 2.145 4.267 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -3.243 1.682 4.932 1.00 0.00 H new ATOM 0 HG LEU A 15 -4.594 0.083 2.752 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.181 1.303 1.144 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -4.343 2.382 1.953 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.634 2.381 2.449 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.292 -0.678 2.314 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.709 0.322 3.666 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -2.804 -1.046 3.978 1.00 0.00 H new ATOM 205 N ILE A 16 -6.076 2.069 6.650 1.00 0.00 N ATOM 206 CA ILE A 16 -6.469 2.859 7.811 1.00 0.00 C ATOM 207 C ILE A 16 -7.026 1.970 8.917 1.00 0.00 C ATOM 208 O ILE A 16 -6.704 2.148 10.092 1.00 0.00 O ATOM 209 CB ILE A 16 -7.521 3.920 7.440 1.00 0.00 C ATOM 210 CG1 ILE A 16 -7.007 4.804 6.302 1.00 0.00 C ATOM 211 CG2 ILE A 16 -7.874 4.764 8.656 1.00 0.00 C ATOM 212 CD1 ILE A 16 -8.105 5.538 5.564 1.00 0.00 C ATOM 0 H ILE A 16 -6.561 2.317 5.788 1.00 0.00 H new ATOM 0 HA ILE A 16 -5.571 3.361 8.170 1.00 0.00 H new ATOM 0 HB ILE A 16 -8.424 3.412 7.100 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -6.304 5.531 6.707 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -6.454 4.186 5.594 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -8.619 5.510 8.378 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -8.278 4.123 9.439 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -6.979 5.265 9.023 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -7.668 6.145 4.771 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -8.796 4.816 5.129 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -8.643 6.182 6.259 1.00 0.00 H new ATOM 224 N SER A 17 -7.864 1.012 8.533 1.00 0.00 N ATOM 225 CA SER A 17 -8.469 0.096 9.493 1.00 0.00 C ATOM 226 C SER A 17 -7.400 -0.593 10.335 1.00 0.00 C ATOM 227 O SER A 17 -7.510 -0.668 11.559 1.00 0.00 O ATOM 228 CB SER A 17 -9.316 -0.951 8.767 1.00 0.00 C ATOM 229 OG SER A 17 -10.116 -1.682 9.679 1.00 0.00 O ATOM 0 H SER A 17 -8.139 0.850 7.564 1.00 0.00 H new ATOM 0 HA SER A 17 -9.111 0.676 10.156 1.00 0.00 H new ATOM 0 HB2 SER A 17 -9.954 -0.461 8.031 1.00 0.00 H new ATOM 0 HB3 SER A 17 -8.666 -1.634 8.221 1.00 0.00 H new ATOM 0 HG SER A 17 -10.649 -2.343 9.190 1.00 0.00 H new ATOM 235 N LEU A 18 -6.365 -1.094 9.670 1.00 0.00 N ATOM 236 CA LEU A 18 -5.273 -1.778 10.356 1.00 0.00 C ATOM 237 C LEU A 18 -4.570 -0.839 11.331 1.00 0.00 C ATOM 238 O LEU A 18 -4.164 -1.248 12.418 1.00 0.00 O ATOM 239 CB LEU A 18 -4.268 -2.322 9.339 1.00 0.00 C ATOM 240 CG LEU A 18 -4.712 -3.555 8.551 1.00 0.00 C ATOM 241 CD1 LEU A 18 -3.823 -3.758 7.333 1.00 0.00 C ATOM 242 CD2 LEU A 18 -4.693 -4.791 9.438 1.00 0.00 C ATOM 0 H LEU A 18 -6.258 -1.040 8.657 1.00 0.00 H new ATOM 0 HA LEU A 18 -5.695 -2.609 10.921 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -4.032 -1.528 8.630 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.344 -2.564 9.865 1.00 0.00 H new ATOM 0 HG LEU A 18 -5.734 -3.394 8.208 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.154 -4.640 6.784 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.887 -2.883 6.686 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.791 -3.897 7.655 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -5.012 -5.658 8.860 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.682 -4.955 9.811 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -5.371 -4.646 10.279 1.00 0.00 H new ATOM 254 N GLY A 19 -4.432 0.422 10.934 1.00 0.00 N ATOM 255 CA GLY A 19 -3.779 1.400 11.786 1.00 0.00 C ATOM 256 C GLY A 19 -2.403 1.783 11.280 1.00 0.00 C ATOM 257 O GLY A 19 -1.476 1.976 12.067 1.00 0.00 O ATOM 0 H GLY A 19 -4.760 0.784 10.039 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -4.400 2.293 11.851 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -3.693 0.998 12.795 1.00 0.00 H new ATOM 261 N VAL A 20 -2.267 1.890 9.962 1.00 0.00 N ATOM 262 CA VAL A 20 -0.993 2.252 9.352 1.00 0.00 C ATOM 263 C VAL A 20 -1.088 3.593 8.634 1.00 0.00 C ATOM 264 O VAL A 20 -0.104 4.327 8.533 1.00 0.00 O ATOM 265 CB VAL A 20 -0.526 1.178 8.351 1.00 0.00 C ATOM 266 CG1 VAL A 20 -0.028 -0.057 9.086 1.00 0.00 C ATOM 267 CG2 VAL A 20 -1.650 0.820 7.390 1.00 0.00 C ATOM 0 H VAL A 20 -3.023 1.731 9.296 1.00 0.00 H new ATOM 0 HA VAL A 20 -0.265 2.327 10.160 1.00 0.00 H new ATOM 0 HB VAL A 20 0.302 1.584 7.770 1.00 0.00 H new ATOM 0 HG11 VAL A 20 0.298 -0.804 8.362 1.00 0.00 H new ATOM 0 HG12 VAL A 20 0.809 0.215 9.729 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -0.834 -0.468 9.694 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.302 0.060 6.690 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -2.500 0.434 7.952 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -1.954 1.709 6.838 1.00 0.00 H new ATOM 277 N LEU A 21 -2.279 3.908 8.136 1.00 0.00 N ATOM 278 CA LEU A 21 -2.505 5.163 7.427 1.00 0.00 C ATOM 279 C LEU A 21 -3.572 5.999 8.126 1.00 0.00 C ATOM 280 O LEU A 21 -4.724 5.584 8.238 1.00 0.00 O ATOM 281 CB LEU A 21 -2.923 4.887 5.982 1.00 0.00 C ATOM 282 CG LEU A 21 -3.458 6.085 5.197 1.00 0.00 C ATOM 283 CD1 LEU A 21 -2.340 7.072 4.901 1.00 0.00 C ATOM 284 CD2 LEU A 21 -4.121 5.625 3.908 1.00 0.00 C ATOM 0 H LEU A 21 -3.103 3.312 8.210 1.00 0.00 H new ATOM 0 HA LEU A 21 -1.571 5.725 7.428 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.064 4.482 5.447 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -3.689 4.111 5.988 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.207 6.589 5.807 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.740 7.918 4.342 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.910 7.427 5.838 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.567 6.580 4.311 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.496 6.491 3.362 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -3.393 5.096 3.293 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.950 4.958 4.143 1.00 0.00 H new ATOM 296 N GLU A 22 -3.179 7.181 8.593 1.00 0.00 N ATOM 297 CA GLU A 22 -4.103 8.076 9.279 1.00 0.00 C ATOM 298 C GLU A 22 -5.307 8.395 8.398 1.00 0.00 C ATOM 299 O GLU A 22 -5.156 8.806 7.248 1.00 0.00 O ATOM 300 CB GLU A 22 -3.392 9.370 9.679 1.00 0.00 C ATOM 301 CG GLU A 22 -2.505 9.225 10.904 1.00 0.00 C ATOM 302 CD GLU A 22 -1.486 10.341 11.023 1.00 0.00 C ATOM 303 OE1 GLU A 22 -0.407 10.228 10.406 1.00 0.00 O ATOM 304 OE2 GLU A 22 -1.769 11.329 11.734 1.00 0.00 O ATOM 0 H GLU A 22 -2.228 7.540 8.509 1.00 0.00 H new ATOM 0 HA GLU A 22 -4.457 7.572 10.178 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -2.786 9.715 8.841 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -4.139 10.140 9.871 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -3.127 9.210 11.799 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -1.986 8.268 10.861 1.00 0.00 H new ATOM 436 N PRO A 31 -11.194 7.559 -4.525 1.00 0.00 N ATOM 437 CA PRO A 31 -10.085 6.904 -3.826 1.00 0.00 C ATOM 438 C PRO A 31 -8.915 6.596 -4.754 1.00 0.00 C ATOM 439 O PRO A 31 -7.798 6.352 -4.300 1.00 0.00 O ATOM 440 CB PRO A 31 -10.710 5.607 -3.306 1.00 0.00 C ATOM 441 CG PRO A 31 -11.844 5.335 -4.233 1.00 0.00 C ATOM 442 CD PRO A 31 -12.369 6.680 -4.652 1.00 0.00 C ATOM 0 HA PRO A 31 -9.667 7.537 -3.043 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -9.989 4.790 -3.312 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -11.056 5.719 -2.279 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -11.512 4.759 -5.097 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -12.620 4.750 -3.739 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -12.749 6.663 -5.673 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -13.188 7.009 -4.012 1.00 0.00 H new ATOM 450 N GLU A 32 -9.180 6.611 -6.057 1.00 0.00 N ATOM 451 CA GLU A 32 -8.147 6.333 -7.049 1.00 0.00 C ATOM 452 C GLU A 32 -6.935 7.236 -6.840 1.00 0.00 C ATOM 453 O GLU A 32 -5.821 6.757 -6.629 1.00 0.00 O ATOM 454 CB GLU A 32 -8.702 6.525 -8.462 1.00 0.00 C ATOM 455 CG GLU A 32 -7.649 6.403 -9.551 1.00 0.00 C ATOM 456 CD GLU A 32 -8.107 6.987 -10.873 1.00 0.00 C ATOM 457 OE1 GLU A 32 -8.457 8.185 -10.904 1.00 0.00 O ATOM 458 OE2 GLU A 32 -8.114 6.244 -11.878 1.00 0.00 O ATOM 0 H GLU A 32 -10.100 6.812 -6.450 1.00 0.00 H new ATOM 0 HA GLU A 32 -7.831 5.297 -6.927 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -9.484 5.786 -8.640 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -9.170 7.507 -8.529 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -6.739 6.910 -9.230 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -7.396 5.352 -9.691 1.00 0.00 H new ATOM 465 N GLU A 33 -7.161 8.545 -6.900 1.00 0.00 N ATOM 466 CA GLU A 33 -6.087 9.514 -6.719 1.00 0.00 C ATOM 467 C GLU A 33 -5.549 9.469 -5.292 1.00 0.00 C ATOM 468 O GLU A 33 -4.364 9.217 -5.071 1.00 0.00 O ATOM 469 CB GLU A 33 -6.583 10.925 -7.044 1.00 0.00 C ATOM 470 CG GLU A 33 -6.472 11.285 -8.516 1.00 0.00 C ATOM 471 CD GLU A 33 -5.042 11.251 -9.019 1.00 0.00 C ATOM 472 OE1 GLU A 33 -4.332 12.266 -8.854 1.00 0.00 O ATOM 473 OE2 GLU A 33 -4.633 10.212 -9.577 1.00 0.00 O ATOM 0 H GLU A 33 -8.078 8.958 -7.072 1.00 0.00 H new ATOM 0 HA GLU A 33 -5.279 9.254 -7.402 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -7.624 11.015 -6.734 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -6.012 11.646 -6.458 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -7.076 10.592 -9.102 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -6.885 12.281 -8.675 1.00 0.00 H new ATOM 480 N PHE A 34 -6.428 9.715 -4.326 1.00 0.00 N ATOM 481 CA PHE A 34 -6.041 9.704 -2.920 1.00 0.00 C ATOM 482 C PHE A 34 -5.045 8.583 -2.638 1.00 0.00 C ATOM 483 O PHE A 34 -4.057 8.779 -1.930 1.00 0.00 O ATOM 484 CB PHE A 34 -7.276 9.540 -2.031 1.00 0.00 C ATOM 485 CG PHE A 34 -6.946 9.254 -0.594 1.00 0.00 C ATOM 486 CD1 PHE A 34 -6.712 10.290 0.296 1.00 0.00 C ATOM 487 CD2 PHE A 34 -6.871 7.950 -0.133 1.00 0.00 C ATOM 488 CE1 PHE A 34 -6.407 10.030 1.619 1.00 0.00 C ATOM 489 CE2 PHE A 34 -6.568 7.684 1.189 1.00 0.00 C ATOM 490 CZ PHE A 34 -6.336 8.725 2.066 1.00 0.00 C ATOM 0 H PHE A 34 -7.413 9.924 -4.491 1.00 0.00 H new ATOM 0 HA PHE A 34 -5.562 10.657 -2.693 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -7.875 10.449 -2.084 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -7.891 8.730 -2.423 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -6.769 11.312 -0.048 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -7.051 7.132 -0.814 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -6.224 10.846 2.302 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -6.513 6.663 1.536 1.00 0.00 H new ATOM 0 HZ PHE A 34 -6.099 8.519 3.099 1.00 0.00 H new ATOM 500 N LEU A 35 -5.313 7.408 -3.197 1.00 0.00 N ATOM 501 CA LEU A 35 -4.441 6.254 -3.006 1.00 0.00 C ATOM 502 C LEU A 35 -3.085 6.481 -3.666 1.00 0.00 C ATOM 503 O LEU A 35 -2.061 6.575 -2.989 1.00 0.00 O ATOM 504 CB LEU A 35 -5.096 4.996 -3.579 1.00 0.00 C ATOM 505 CG LEU A 35 -6.195 4.362 -2.725 1.00 0.00 C ATOM 506 CD1 LEU A 35 -7.124 3.522 -3.587 1.00 0.00 C ATOM 507 CD2 LEU A 35 -5.588 3.519 -1.613 1.00 0.00 C ATOM 0 H LEU A 35 -6.127 7.229 -3.786 1.00 0.00 H new ATOM 0 HA LEU A 35 -4.285 6.120 -1.936 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -5.518 5.242 -4.554 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -4.319 4.250 -3.747 1.00 0.00 H new ATOM 0 HG LEU A 35 -6.780 5.161 -2.269 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -7.899 3.079 -2.962 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -7.586 4.153 -4.346 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -6.553 2.730 -4.072 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -6.385 3.076 -1.016 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.978 2.728 -2.048 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -4.966 4.149 -0.977 1.00 0.00 H new ATOM 519 N LYS A 36 -3.086 6.570 -4.992 1.00 0.00 N ATOM 520 CA LYS A 36 -1.857 6.790 -5.745 1.00 0.00 C ATOM 521 C LYS A 36 -1.004 7.873 -5.091 1.00 0.00 C ATOM 522 O LYS A 36 0.221 7.865 -5.206 1.00 0.00 O ATOM 523 CB LYS A 36 -2.181 7.183 -7.187 1.00 0.00 C ATOM 524 CG LYS A 36 -2.970 6.128 -7.943 1.00 0.00 C ATOM 525 CD LYS A 36 -3.814 6.745 -9.045 1.00 0.00 C ATOM 526 CE LYS A 36 -3.039 6.845 -10.350 1.00 0.00 C ATOM 527 NZ LYS A 36 -3.870 7.417 -11.446 1.00 0.00 N ATOM 0 H LYS A 36 -3.925 6.493 -5.567 1.00 0.00 H new ATOM 0 HA LYS A 36 -1.291 5.858 -5.747 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -2.748 8.114 -7.182 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -1.250 7.379 -7.719 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.284 5.399 -8.374 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -3.614 5.588 -7.249 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -4.710 6.144 -9.198 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -4.144 7.738 -8.739 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -2.156 7.467 -10.201 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -2.687 5.855 -10.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -3.306 7.469 -12.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -4.700 6.810 -11.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -4.185 8.372 -11.180 1.00 0.00 H new ATOM 541 N SER A 37 -1.661 8.802 -4.404 1.00 0.00 N ATOM 542 CA SER A 37 -0.963 9.893 -3.733 1.00 0.00 C ATOM 543 C SER A 37 -0.346 9.418 -2.421 1.00 0.00 C ATOM 544 O SER A 37 0.725 9.876 -2.024 1.00 0.00 O ATOM 545 CB SER A 37 -1.923 11.054 -3.468 1.00 0.00 C ATOM 546 OG SER A 37 -1.275 12.102 -2.769 1.00 0.00 O ATOM 0 H SER A 37 -2.675 8.821 -4.297 1.00 0.00 H new ATOM 0 HA SER A 37 -0.162 10.236 -4.388 1.00 0.00 H new ATOM 0 HB2 SER A 37 -2.313 11.430 -4.414 1.00 0.00 H new ATOM 0 HB3 SER A 37 -2.776 10.700 -2.889 1.00 0.00 H new ATOM 0 HG SER A 37 -1.909 12.833 -2.613 1.00 0.00 H new ATOM 552 N SER A 38 -1.032 8.497 -1.752 1.00 0.00 N ATOM 553 CA SER A 38 -0.555 7.961 -0.482 1.00 0.00 C ATOM 554 C SER A 38 0.516 6.899 -0.708 1.00 0.00 C ATOM 555 O SER A 38 1.639 7.018 -0.217 1.00 0.00 O ATOM 556 CB SER A 38 -1.718 7.368 0.315 1.00 0.00 C ATOM 557 OG SER A 38 -1.451 7.397 1.706 1.00 0.00 O ATOM 0 H SER A 38 -1.920 8.106 -2.068 1.00 0.00 H new ATOM 0 HA SER A 38 -0.115 8.780 0.087 1.00 0.00 H new ATOM 0 HB2 SER A 38 -2.629 7.928 0.105 1.00 0.00 H new ATOM 0 HB3 SER A 38 -1.894 6.340 -0.003 1.00 0.00 H new ATOM 0 HG SER A 38 -2.210 7.014 2.193 1.00 0.00 H new ATOM 563 N LEU A 39 0.160 5.859 -1.455 1.00 0.00 N ATOM 564 CA LEU A 39 1.090 4.774 -1.748 1.00 0.00 C ATOM 565 C LEU A 39 2.380 5.312 -2.360 1.00 0.00 C ATOM 566 O LEU A 39 3.442 4.702 -2.232 1.00 0.00 O ATOM 567 CB LEU A 39 0.443 3.764 -2.698 1.00 0.00 C ATOM 568 CG LEU A 39 -0.942 3.257 -2.296 1.00 0.00 C ATOM 569 CD1 LEU A 39 -1.635 2.603 -3.481 1.00 0.00 C ATOM 570 CD2 LEU A 39 -0.837 2.283 -1.132 1.00 0.00 C ATOM 0 H LEU A 39 -0.765 5.744 -1.868 1.00 0.00 H new ATOM 0 HA LEU A 39 1.335 4.276 -0.810 1.00 0.00 H new ATOM 0 HB2 LEU A 39 0.369 4.220 -3.685 1.00 0.00 H new ATOM 0 HB3 LEU A 39 1.109 2.906 -2.792 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.541 4.109 -1.976 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.620 2.248 -3.176 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -1.744 3.330 -4.285 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.038 1.761 -3.832 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.833 1.933 -0.860 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.220 1.433 -1.424 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.383 2.785 -0.278 1.00 0.00 H new ATOM 582 N LYS A 40 2.280 6.458 -3.024 1.00 0.00 N ATOM 583 CA LYS A 40 3.438 7.081 -3.653 1.00 0.00 C ATOM 584 C LYS A 40 4.612 7.154 -2.682 1.00 0.00 C ATOM 585 O LYS A 40 5.640 6.510 -2.887 1.00 0.00 O ATOM 586 CB LYS A 40 3.083 8.486 -4.146 1.00 0.00 C ATOM 587 CG LYS A 40 4.283 9.284 -4.626 1.00 0.00 C ATOM 588 CD LYS A 40 3.964 10.767 -4.719 1.00 0.00 C ATOM 589 CE LYS A 40 4.878 11.472 -5.710 1.00 0.00 C ATOM 590 NZ LYS A 40 4.857 12.950 -5.530 1.00 0.00 N ATOM 0 H LYS A 40 1.408 6.975 -3.141 1.00 0.00 H new ATOM 0 HA LYS A 40 3.731 6.467 -4.504 1.00 0.00 H new ATOM 0 HB2 LYS A 40 2.362 8.405 -4.960 1.00 0.00 H new ATOM 0 HB3 LYS A 40 2.593 9.032 -3.340 1.00 0.00 H new ATOM 0 HG2 LYS A 40 5.119 9.133 -3.943 1.00 0.00 H new ATOM 0 HG3 LYS A 40 4.599 8.917 -5.602 1.00 0.00 H new ATOM 0 HD2 LYS A 40 2.925 10.899 -5.023 1.00 0.00 H new ATOM 0 HD3 LYS A 40 4.069 11.225 -3.736 1.00 0.00 H new ATOM 0 HE2 LYS A 40 5.897 11.106 -5.588 1.00 0.00 H new ATOM 0 HE3 LYS A 40 4.571 11.226 -6.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 5.492 13.393 -6.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 3.889 13.303 -5.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 5.175 13.187 -4.569 1.00 0.00 H new ATOM 604 N ASN A 41 4.451 7.941 -1.623 1.00 0.00 N ATOM 605 CA ASN A 41 5.497 8.097 -0.620 1.00 0.00 C ATOM 606 C ASN A 41 6.217 6.774 -0.375 1.00 0.00 C ATOM 607 O ASN A 41 7.446 6.723 -0.330 1.00 0.00 O ATOM 608 CB ASN A 41 4.903 8.616 0.691 1.00 0.00 C ATOM 609 CG ASN A 41 4.659 10.113 0.662 1.00 0.00 C ATOM 610 OD1 ASN A 41 4.287 10.672 -0.370 1.00 0.00 O ATOM 611 ND2 ASN A 41 4.868 10.769 1.797 1.00 0.00 N ATOM 0 H ASN A 41 3.606 8.481 -1.438 1.00 0.00 H new ATOM 0 HA ASN A 41 6.220 8.821 -0.996 1.00 0.00 H new ATOM 0 HB2 ASN A 41 3.963 8.101 0.890 1.00 0.00 H new ATOM 0 HB3 ASN A 41 5.578 8.376 1.513 1.00 0.00 H new ATOM 0 HD21 ASN A 41 4.720 11.777 1.838 1.00 0.00 H new ATOM 0 HD22 ASN A 41 5.176 10.265 2.628 1.00 0.00 H new ATOM 618 N GLY A 42 5.443 5.705 -0.219 1.00 0.00 N ATOM 619 CA GLY A 42 6.024 4.396 0.019 1.00 0.00 C ATOM 620 C GLY A 42 6.060 4.036 1.491 1.00 0.00 C ATOM 621 O GLY A 42 6.093 2.859 1.849 1.00 0.00 O ATOM 0 H GLY A 42 4.424 5.721 -0.253 1.00 0.00 H new ATOM 0 HA2 GLY A 42 5.450 3.644 -0.522 1.00 0.00 H new ATOM 0 HA3 GLY A 42 7.037 4.373 -0.382 1.00 0.00 H new ATOM 625 N VAL A 43 6.055 5.053 2.347 1.00 0.00 N ATOM 626 CA VAL A 43 6.088 4.838 3.789 1.00 0.00 C ATOM 627 C VAL A 43 4.838 4.106 4.264 1.00 0.00 C ATOM 628 O VAL A 43 4.881 3.345 5.231 1.00 0.00 O ATOM 629 CB VAL A 43 6.211 6.170 4.552 1.00 0.00 C ATOM 630 CG1 VAL A 43 5.130 7.143 4.107 1.00 0.00 C ATOM 631 CG2 VAL A 43 6.141 5.932 6.053 1.00 0.00 C ATOM 0 H VAL A 43 6.028 6.033 2.067 1.00 0.00 H new ATOM 0 HA VAL A 43 6.965 4.226 3.998 1.00 0.00 H new ATOM 0 HB VAL A 43 7.180 6.612 4.322 1.00 0.00 H new ATOM 0 HG11 VAL A 43 5.233 8.078 4.657 1.00 0.00 H new ATOM 0 HG12 VAL A 43 5.232 7.337 3.039 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.149 6.712 4.305 1.00 0.00 H new ATOM 0 HG21 VAL A 43 6.230 6.884 6.577 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.187 5.467 6.304 1.00 0.00 H new ATOM 0 HG23 VAL A 43 6.956 5.274 6.355 1.00 0.00 H new ATOM 641 N VAL A 44 3.725 4.340 3.577 1.00 0.00 N ATOM 642 CA VAL A 44 2.461 3.702 3.928 1.00 0.00 C ATOM 643 C VAL A 44 2.511 2.202 3.661 1.00 0.00 C ATOM 644 O VAL A 44 2.054 1.400 4.476 1.00 0.00 O ATOM 645 CB VAL A 44 1.286 4.314 3.142 1.00 0.00 C ATOM 646 CG1 VAL A 44 0.057 3.423 3.239 1.00 0.00 C ATOM 647 CG2 VAL A 44 0.980 5.716 3.648 1.00 0.00 C ATOM 0 H VAL A 44 3.672 4.967 2.774 1.00 0.00 H new ATOM 0 HA VAL A 44 2.304 3.874 4.993 1.00 0.00 H new ATOM 0 HB VAL A 44 1.571 4.385 2.092 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -0.763 3.871 2.678 1.00 0.00 H new ATOM 0 HG12 VAL A 44 0.286 2.441 2.825 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -0.234 3.317 4.284 1.00 0.00 H new ATOM 0 HG21 VAL A 44 0.147 6.134 3.082 1.00 0.00 H new ATOM 0 HG22 VAL A 44 0.715 5.672 4.704 1.00 0.00 H new ATOM 0 HG23 VAL A 44 1.859 6.349 3.521 1.00 0.00 H new ATOM 657 N LEU A 45 3.069 1.829 2.514 1.00 0.00 N ATOM 658 CA LEU A 45 3.179 0.424 2.138 1.00 0.00 C ATOM 659 C LEU A 45 4.131 -0.316 3.072 1.00 0.00 C ATOM 660 O LEU A 45 3.880 -1.461 3.451 1.00 0.00 O ATOM 661 CB LEU A 45 3.664 0.299 0.693 1.00 0.00 C ATOM 662 CG LEU A 45 2.686 0.763 -0.386 1.00 0.00 C ATOM 663 CD1 LEU A 45 3.438 1.287 -1.600 1.00 0.00 C ATOM 664 CD2 LEU A 45 1.752 -0.371 -0.783 1.00 0.00 C ATOM 0 H LEU A 45 3.452 2.480 1.829 1.00 0.00 H new ATOM 0 HA LEU A 45 2.191 -0.028 2.223 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.586 0.871 0.590 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.914 -0.745 0.504 1.00 0.00 H new ATOM 0 HG LEU A 45 2.085 1.576 0.021 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.725 1.613 -2.357 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.064 2.129 -1.305 1.00 0.00 H new ATOM 0 HD13 LEU A 45 4.065 0.495 -2.009 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.063 -0.022 -1.552 1.00 0.00 H new ATOM 0 HD22 LEU A 45 2.337 -1.205 -1.171 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.187 -0.699 0.089 1.00 0.00 H new ATOM 676 N CYS A 46 5.222 0.345 3.442 1.00 0.00 N ATOM 677 CA CYS A 46 6.212 -0.250 4.333 1.00 0.00 C ATOM 678 C CYS A 46 5.602 -0.551 5.698 1.00 0.00 C ATOM 679 O CYS A 46 5.811 -1.627 6.260 1.00 0.00 O ATOM 680 CB CYS A 46 7.412 0.684 4.493 1.00 0.00 C ATOM 681 SG CYS A 46 8.626 0.561 3.158 1.00 0.00 S ATOM 0 H CYS A 46 5.444 1.293 3.139 1.00 0.00 H new ATOM 0 HA CYS A 46 6.547 -1.187 3.889 1.00 0.00 H new ATOM 0 HB2 CYS A 46 7.054 1.712 4.550 1.00 0.00 H new ATOM 0 HB3 CYS A 46 7.906 0.465 5.440 1.00 0.00 H new ATOM 0 HG CYS A 46 8.088 0.960 2.044 1.00 0.00 H new ATOM 687 N LYS A 47 4.848 0.406 6.228 1.00 0.00 N ATOM 688 CA LYS A 47 4.207 0.244 7.528 1.00 0.00 C ATOM 689 C LYS A 47 3.174 -0.877 7.490 1.00 0.00 C ATOM 690 O LYS A 47 2.842 -1.465 8.520 1.00 0.00 O ATOM 691 CB LYS A 47 3.539 1.553 7.957 1.00 0.00 C ATOM 692 CG LYS A 47 4.517 2.594 8.473 1.00 0.00 C ATOM 693 CD LYS A 47 3.812 3.891 8.832 1.00 0.00 C ATOM 694 CE LYS A 47 4.785 4.918 9.391 1.00 0.00 C ATOM 695 NZ LYS A 47 4.124 5.841 10.355 1.00 0.00 N ATOM 0 H LYS A 47 4.666 1.303 5.777 1.00 0.00 H new ATOM 0 HA LYS A 47 4.976 -0.020 8.254 1.00 0.00 H new ATOM 0 HB2 LYS A 47 2.994 1.968 7.109 1.00 0.00 H new ATOM 0 HB3 LYS A 47 2.805 1.339 8.734 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.035 2.205 9.350 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.276 2.789 7.715 1.00 0.00 H new ATOM 0 HD2 LYS A 47 3.322 4.297 7.947 1.00 0.00 H new ATOM 0 HD3 LYS A 47 3.031 3.691 9.566 1.00 0.00 H new ATOM 0 HE2 LYS A 47 5.610 4.405 9.886 1.00 0.00 H new ATOM 0 HE3 LYS A 47 5.214 5.495 8.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 4.820 6.526 10.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 3.353 6.349 9.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 3.736 5.294 11.150 1.00 0.00 H new ATOM 709 N LEU A 48 2.670 -1.170 6.296 1.00 0.00 N ATOM 710 CA LEU A 48 1.675 -2.223 6.123 1.00 0.00 C ATOM 711 C LEU A 48 2.311 -3.602 6.270 1.00 0.00 C ATOM 712 O LEU A 48 2.089 -4.296 7.263 1.00 0.00 O ATOM 713 CB LEU A 48 1.006 -2.100 4.753 1.00 0.00 C ATOM 714 CG LEU A 48 0.127 -3.277 4.328 1.00 0.00 C ATOM 715 CD1 LEU A 48 -1.123 -3.348 5.190 1.00 0.00 C ATOM 716 CD2 LEU A 48 -0.244 -3.161 2.856 1.00 0.00 C ATOM 0 H LEU A 48 2.934 -0.693 5.434 1.00 0.00 H new ATOM 0 HA LEU A 48 0.920 -2.107 6.900 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.396 -1.197 4.748 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.784 -1.963 4.002 1.00 0.00 H new ATOM 0 HG LEU A 48 0.693 -4.198 4.468 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -1.736 -4.192 4.873 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -0.838 -3.479 6.234 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -1.692 -2.425 5.082 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.870 -4.007 2.571 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.791 -2.233 2.691 1.00 0.00 H new ATOM 0 HD23 LEU A 48 0.663 -3.160 2.251 1.00 0.00 H new ATOM 728 N ILE A 49 3.102 -3.992 5.276 1.00 0.00 N ATOM 729 CA ILE A 49 3.773 -5.286 5.296 1.00 0.00 C ATOM 730 C ILE A 49 4.225 -5.649 6.707 1.00 0.00 C ATOM 731 O ILE A 49 4.206 -6.816 7.094 1.00 0.00 O ATOM 732 CB ILE A 49 4.993 -5.302 4.358 1.00 0.00 C ATOM 733 CG1 ILE A 49 5.552 -6.722 4.237 1.00 0.00 C ATOM 734 CG2 ILE A 49 6.064 -4.347 4.864 1.00 0.00 C ATOM 735 CD1 ILE A 49 4.744 -7.613 3.320 1.00 0.00 C ATOM 0 H ILE A 49 3.294 -3.430 4.447 1.00 0.00 H new ATOM 0 HA ILE A 49 3.049 -6.023 4.948 1.00 0.00 H new ATOM 0 HB ILE A 49 4.676 -4.970 3.369 1.00 0.00 H new ATOM 0 HG12 ILE A 49 6.577 -6.670 3.870 1.00 0.00 H new ATOM 0 HG13 ILE A 49 5.591 -7.174 5.228 1.00 0.00 H new ATOM 0 HG21 ILE A 49 6.920 -4.370 4.190 1.00 0.00 H new ATOM 0 HG22 ILE A 49 5.660 -3.335 4.903 1.00 0.00 H new ATOM 0 HG23 ILE A 49 6.380 -4.651 5.862 1.00 0.00 H new ATOM 0 HD11 ILE A 49 5.198 -8.603 3.282 1.00 0.00 H new ATOM 0 HD12 ILE A 49 3.725 -7.695 3.698 1.00 0.00 H new ATOM 0 HD13 ILE A 49 4.726 -7.184 2.318 1.00 0.00 H new ATOM 747 N ASN A 50 4.630 -4.639 7.471 1.00 0.00 N ATOM 748 CA ASN A 50 5.086 -4.851 8.839 1.00 0.00 C ATOM 749 C ASN A 50 3.945 -5.346 9.723 1.00 0.00 C ATOM 750 O ASN A 50 4.081 -6.346 10.428 1.00 0.00 O ATOM 751 CB ASN A 50 5.665 -3.556 9.413 1.00 0.00 C ATOM 752 CG ASN A 50 7.128 -3.372 9.061 1.00 0.00 C ATOM 753 OD1 ASN A 50 7.893 -4.335 9.011 1.00 0.00 O ATOM 754 ND2 ASN A 50 7.525 -2.128 8.816 1.00 0.00 N ATOM 0 H ASN A 50 4.651 -3.666 7.165 1.00 0.00 H new ATOM 0 HA ASN A 50 5.865 -5.613 8.821 1.00 0.00 H new ATOM 0 HB2 ASN A 50 5.094 -2.707 9.036 1.00 0.00 H new ATOM 0 HB3 ASN A 50 5.553 -3.560 10.497 1.00 0.00 H new ATOM 0 HD21 ASN A 50 8.498 -1.941 8.575 1.00 0.00 H new ATOM 0 HD22 ASN A 50 6.856 -1.360 8.869 1.00 0.00 H new ATOM 761 N ARG A 51 2.820 -4.640 9.678 1.00 0.00 N ATOM 762 CA ARG A 51 1.655 -5.007 10.474 1.00 0.00 C ATOM 763 C ARG A 51 1.142 -6.390 10.082 1.00 0.00 C ATOM 764 O ARG A 51 0.593 -7.118 10.910 1.00 0.00 O ATOM 765 CB ARG A 51 0.544 -3.971 10.298 1.00 0.00 C ATOM 766 CG ARG A 51 -0.729 -4.307 11.058 1.00 0.00 C ATOM 767 CD ARG A 51 -0.648 -3.854 12.508 1.00 0.00 C ATOM 768 NE ARG A 51 -1.497 -4.659 13.381 1.00 0.00 N ATOM 769 CZ ARG A 51 -1.150 -5.855 13.845 1.00 0.00 C ATOM 770 NH1 ARG A 51 0.023 -6.381 13.520 1.00 0.00 N ATOM 771 NH2 ARG A 51 -1.977 -6.527 14.635 1.00 0.00 N ATOM 0 H ARG A 51 2.691 -3.811 9.099 1.00 0.00 H new ATOM 0 HA ARG A 51 1.956 -5.033 11.521 1.00 0.00 H new ATOM 0 HB2 ARG A 51 0.909 -2.999 10.630 1.00 0.00 H new ATOM 0 HB3 ARG A 51 0.310 -3.878 9.237 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -1.580 -3.829 10.573 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -0.903 -5.382 11.021 1.00 0.00 H new ATOM 0 HD2 ARG A 51 0.385 -3.916 12.850 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -0.945 -2.808 12.578 1.00 0.00 H new ATOM 0 HE ARG A 51 -2.406 -4.283 13.650 1.00 0.00 H new ATOM 0 HH11 ARG A 51 0.661 -5.867 12.913 1.00 0.00 H new ATOM 0 HH12 ARG A 51 0.287 -7.299 13.878 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -2.880 -6.126 14.887 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -1.710 -7.445 14.990 1.00 0.00 H new ATOM 785 N LEU A 52 1.325 -6.745 8.815 1.00 0.00 N ATOM 786 CA LEU A 52 0.880 -8.041 8.313 1.00 0.00 C ATOM 787 C LEU A 52 1.831 -9.150 8.750 1.00 0.00 C ATOM 788 O LEU A 52 1.398 -10.230 9.151 1.00 0.00 O ATOM 789 CB LEU A 52 0.781 -8.011 6.786 1.00 0.00 C ATOM 790 CG LEU A 52 0.129 -6.768 6.180 1.00 0.00 C ATOM 791 CD1 LEU A 52 0.231 -6.798 4.663 1.00 0.00 C ATOM 792 CD2 LEU A 52 -1.324 -6.661 6.617 1.00 0.00 C ATOM 0 H LEU A 52 1.778 -6.155 8.117 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.105 -8.247 8.732 1.00 0.00 H new ATOM 0 HB2 LEU A 52 1.786 -8.107 6.375 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.219 -8.887 6.461 1.00 0.00 H new ATOM 0 HG LEU A 52 0.662 -5.889 6.542 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -0.238 -5.906 4.249 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.280 -6.826 4.369 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -0.276 -7.684 4.282 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -1.772 -5.770 6.176 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -1.870 -7.544 6.285 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -1.373 -6.592 7.704 1.00 0.00 H new ATOM 804 N MET A 53 3.129 -8.875 8.672 1.00 0.00 N ATOM 805 CA MET A 53 4.142 -9.849 9.063 1.00 0.00 C ATOM 806 C MET A 53 5.175 -9.216 9.990 1.00 0.00 C ATOM 807 O MET A 53 5.662 -8.110 9.754 1.00 0.00 O ATOM 808 CB MET A 53 4.834 -10.422 7.826 1.00 0.00 C ATOM 809 CG MET A 53 3.886 -11.140 6.878 1.00 0.00 C ATOM 810 SD MET A 53 3.242 -12.675 7.570 1.00 0.00 S ATOM 811 CE MET A 53 3.420 -13.779 6.171 1.00 0.00 C ATOM 0 H MET A 53 3.504 -7.986 8.342 1.00 0.00 H new ATOM 0 HA MET A 53 3.645 -10.657 9.599 1.00 0.00 H new ATOM 0 HB2 MET A 53 5.329 -9.613 7.289 1.00 0.00 H new ATOM 0 HB3 MET A 53 5.612 -11.116 8.144 1.00 0.00 H new ATOM 0 HG2 MET A 53 3.054 -10.479 6.633 1.00 0.00 H new ATOM 0 HG3 MET A 53 4.406 -11.357 5.945 1.00 0.00 H new ATOM 0 HE1 MET A 53 3.063 -14.772 6.443 1.00 0.00 H new ATOM 0 HE2 MET A 53 2.836 -13.401 5.332 1.00 0.00 H new ATOM 0 HE3 MET A 53 4.470 -13.837 5.885 1.00 0.00 H new ATOM 821 N PRO A 54 5.518 -9.932 11.072 1.00 0.00 N ATOM 822 CA PRO A 54 6.497 -9.459 12.055 1.00 0.00 C ATOM 823 C PRO A 54 7.916 -9.438 11.497 1.00 0.00 C ATOM 824 O PRO A 54 8.531 -10.485 11.299 1.00 0.00 O ATOM 825 CB PRO A 54 6.383 -10.482 13.188 1.00 0.00 C ATOM 826 CG PRO A 54 5.874 -11.719 12.532 1.00 0.00 C ATOM 827 CD PRO A 54 4.978 -11.257 11.416 1.00 0.00 C ATOM 0 HA PRO A 54 6.299 -8.433 12.366 1.00 0.00 H new ATOM 0 HB2 PRO A 54 7.348 -10.655 13.664 1.00 0.00 H new ATOM 0 HB3 PRO A 54 5.701 -10.137 13.966 1.00 0.00 H new ATOM 0 HG2 PRO A 54 6.696 -12.323 12.148 1.00 0.00 H new ATOM 0 HG3 PRO A 54 5.326 -12.340 13.241 1.00 0.00 H new ATOM 0 HD2 PRO A 54 5.012 -11.938 10.565 1.00 0.00 H new ATOM 0 HD3 PRO A 54 3.937 -11.197 11.735 1.00 0.00 H new ATOM 835 N GLY A 55 8.431 -8.238 11.247 1.00 0.00 N ATOM 836 CA GLY A 55 9.774 -8.104 10.714 1.00 0.00 C ATOM 837 C GLY A 55 9.803 -8.136 9.199 1.00 0.00 C ATOM 838 O GLY A 55 10.499 -8.957 8.602 1.00 0.00 O ATOM 0 H GLY A 55 7.942 -7.357 11.404 1.00 0.00 H new ATOM 0 HA2 GLY A 55 10.208 -7.167 11.063 1.00 0.00 H new ATOM 0 HA3 GLY A 55 10.398 -8.909 11.103 1.00 0.00 H new ATOM 842 N SER A 56 9.044 -7.240 8.575 1.00 0.00 N ATOM 843 CA SER A 56 8.981 -7.173 7.120 1.00 0.00 C ATOM 844 C SER A 56 10.015 -6.191 6.577 1.00 0.00 C ATOM 845 O SER A 56 10.832 -6.540 5.725 1.00 0.00 O ATOM 846 CB SER A 56 7.580 -6.758 6.668 1.00 0.00 C ATOM 847 OG SER A 56 6.599 -7.656 7.157 1.00 0.00 O ATOM 0 H SER A 56 8.465 -6.551 9.055 1.00 0.00 H new ATOM 0 HA SER A 56 9.204 -8.164 6.725 1.00 0.00 H new ATOM 0 HB2 SER A 56 7.364 -5.750 7.023 1.00 0.00 H new ATOM 0 HB3 SER A 56 7.540 -6.728 5.579 1.00 0.00 H new ATOM 0 HG SER A 56 5.789 -7.158 7.393 1.00 0.00 H new ATOM 853 N VAL A 57 9.972 -4.960 7.076 1.00 0.00 N ATOM 854 CA VAL A 57 10.905 -3.926 6.643 1.00 0.00 C ATOM 855 C VAL A 57 11.937 -3.629 7.725 1.00 0.00 C ATOM 856 O VAL A 57 11.599 -3.509 8.901 1.00 0.00 O ATOM 857 CB VAL A 57 10.169 -2.623 6.278 1.00 0.00 C ATOM 858 CG1 VAL A 57 11.149 -1.586 5.752 1.00 0.00 C ATOM 859 CG2 VAL A 57 9.073 -2.898 5.259 1.00 0.00 C ATOM 0 H VAL A 57 9.301 -4.654 7.781 1.00 0.00 H new ATOM 0 HA VAL A 57 11.412 -4.308 5.757 1.00 0.00 H new ATOM 0 HB VAL A 57 9.704 -2.224 7.179 1.00 0.00 H new ATOM 0 HG11 VAL A 57 10.611 -0.672 5.499 1.00 0.00 H new ATOM 0 HG12 VAL A 57 11.894 -1.369 6.517 1.00 0.00 H new ATOM 0 HG13 VAL A 57 11.645 -1.973 4.862 1.00 0.00 H new ATOM 0 HG21 VAL A 57 8.563 -1.967 5.013 1.00 0.00 H new ATOM 0 HG22 VAL A 57 9.514 -3.321 4.356 1.00 0.00 H new ATOM 0 HG23 VAL A 57 8.356 -3.604 5.678 1.00 0.00 H new ATOM 869 N GLU A 58 13.197 -3.510 7.317 1.00 0.00 N ATOM 870 CA GLU A 58 14.278 -3.227 8.253 1.00 0.00 C ATOM 871 C GLU A 58 14.227 -1.775 8.720 1.00 0.00 C ATOM 872 O GLU A 58 14.139 -1.498 9.916 1.00 0.00 O ATOM 873 CB GLU A 58 15.633 -3.518 7.604 1.00 0.00 C ATOM 874 CG GLU A 58 15.795 -4.959 7.152 1.00 0.00 C ATOM 875 CD GLU A 58 15.964 -5.919 8.314 1.00 0.00 C ATOM 876 OE1 GLU A 58 15.489 -5.598 9.424 1.00 0.00 O ATOM 877 OE2 GLU A 58 16.571 -6.992 8.114 1.00 0.00 O ATOM 0 H GLU A 58 13.493 -3.605 6.346 1.00 0.00 H new ATOM 0 HA GLU A 58 14.152 -3.874 9.121 1.00 0.00 H new ATOM 0 HB2 GLU A 58 15.764 -2.860 6.745 1.00 0.00 H new ATOM 0 HB3 GLU A 58 16.425 -3.277 8.313 1.00 0.00 H new ATOM 0 HG2 GLU A 58 14.924 -5.253 6.567 1.00 0.00 H new ATOM 0 HG3 GLU A 58 16.661 -5.034 6.494 1.00 0.00 H new ATOM 884 N LYS A 59 14.282 -0.851 7.767 1.00 0.00 N ATOM 885 CA LYS A 59 14.242 0.573 8.078 1.00 0.00 C ATOM 886 C LYS A 59 13.759 1.379 6.876 1.00 0.00 C ATOM 887 O LYS A 59 14.411 1.405 5.832 1.00 0.00 O ATOM 888 CB LYS A 59 15.626 1.061 8.511 1.00 0.00 C ATOM 889 CG LYS A 59 16.658 1.030 7.396 1.00 0.00 C ATOM 890 CD LYS A 59 18.074 1.034 7.947 1.00 0.00 C ATOM 891 CE LYS A 59 18.447 2.394 8.516 1.00 0.00 C ATOM 892 NZ LYS A 59 19.922 2.591 8.563 1.00 0.00 N ATOM 0 H LYS A 59 14.354 -1.063 6.772 1.00 0.00 H new ATOM 0 HA LYS A 59 13.539 0.721 8.898 1.00 0.00 H new ATOM 0 HB2 LYS A 59 15.541 2.080 8.888 1.00 0.00 H new ATOM 0 HB3 LYS A 59 15.978 0.444 9.338 1.00 0.00 H new ATOM 0 HG2 LYS A 59 16.507 0.141 6.784 1.00 0.00 H new ATOM 0 HG3 LYS A 59 16.518 1.893 6.745 1.00 0.00 H new ATOM 0 HD2 LYS A 59 18.165 0.276 8.725 1.00 0.00 H new ATOM 0 HD3 LYS A 59 18.774 0.765 7.156 1.00 0.00 H new ATOM 0 HE2 LYS A 59 17.995 3.178 7.908 1.00 0.00 H new ATOM 0 HE3 LYS A 59 18.035 2.492 9.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 20.134 3.530 8.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 20.351 1.858 9.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 20.312 2.523 7.601 1.00 0.00 H new ATOM 906 N PHE A 60 12.615 2.037 7.031 1.00 0.00 N ATOM 907 CA PHE A 60 12.046 2.844 5.958 1.00 0.00 C ATOM 908 C PHE A 60 11.939 4.307 6.377 1.00 0.00 C ATOM 909 O PHE A 60 12.132 4.645 7.546 1.00 0.00 O ATOM 910 CB PHE A 60 10.666 2.311 5.567 1.00 0.00 C ATOM 911 CG PHE A 60 9.688 2.286 6.707 1.00 0.00 C ATOM 912 CD1 PHE A 60 9.808 1.346 7.718 1.00 0.00 C ATOM 913 CD2 PHE A 60 8.650 3.202 6.767 1.00 0.00 C ATOM 914 CE1 PHE A 60 8.909 1.320 8.768 1.00 0.00 C ATOM 915 CE2 PHE A 60 7.749 3.181 7.815 1.00 0.00 C ATOM 916 CZ PHE A 60 7.879 2.239 8.817 1.00 0.00 C ATOM 0 H PHE A 60 12.064 2.027 7.889 1.00 0.00 H new ATOM 0 HA PHE A 60 12.710 2.779 5.096 1.00 0.00 H new ATOM 0 HB2 PHE A 60 10.261 2.928 4.765 1.00 0.00 H new ATOM 0 HB3 PHE A 60 10.774 1.302 5.169 1.00 0.00 H new ATOM 0 HD1 PHE A 60 10.612 0.626 7.685 1.00 0.00 H new ATOM 0 HD2 PHE A 60 8.544 3.941 5.986 1.00 0.00 H new ATOM 0 HE1 PHE A 60 9.012 0.582 9.549 1.00 0.00 H new ATOM 0 HE2 PHE A 60 6.944 3.900 7.850 1.00 0.00 H new ATOM 0 HZ PHE A 60 7.177 2.221 9.637 1.00 0.00 H new ATOM 926 N CYS A 61 11.631 5.171 5.416 1.00 0.00 N ATOM 927 CA CYS A 61 11.499 6.598 5.683 1.00 0.00 C ATOM 928 C CYS A 61 10.058 6.955 6.036 1.00 0.00 C ATOM 929 O CYS A 61 9.121 6.549 5.348 1.00 0.00 O ATOM 930 CB CYS A 61 11.955 7.410 4.470 1.00 0.00 C ATOM 931 SG CYS A 61 12.653 9.026 4.884 1.00 0.00 S ATOM 0 H CYS A 61 11.468 4.907 4.444 1.00 0.00 H new ATOM 0 HA CYS A 61 12.134 6.843 6.535 1.00 0.00 H new ATOM 0 HB2 CYS A 61 12.700 6.835 3.920 1.00 0.00 H new ATOM 0 HB3 CYS A 61 11.106 7.553 3.802 1.00 0.00 H new ATOM 0 HG CYS A 61 13.381 9.451 3.894 1.00 0.00 H new ATOM 937 N LEU A 62 9.889 7.714 7.113 1.00 0.00 N ATOM 938 CA LEU A 62 8.562 8.124 7.559 1.00 0.00 C ATOM 939 C LEU A 62 8.092 9.363 6.803 1.00 0.00 C ATOM 940 O LEU A 62 6.944 9.437 6.366 1.00 0.00 O ATOM 941 CB LEU A 62 8.572 8.403 9.063 1.00 0.00 C ATOM 942 CG LEU A 62 8.623 7.176 9.973 1.00 0.00 C ATOM 943 CD1 LEU A 62 8.308 7.563 11.410 1.00 0.00 C ATOM 944 CD2 LEU A 62 7.657 6.107 9.483 1.00 0.00 C ATOM 0 H LEU A 62 10.654 8.058 7.693 1.00 0.00 H new ATOM 0 HA LEU A 62 7.868 7.310 7.351 1.00 0.00 H new ATOM 0 HB2 LEU A 62 9.431 9.034 9.289 1.00 0.00 H new ATOM 0 HB3 LEU A 62 7.680 8.978 9.311 1.00 0.00 H new ATOM 0 HG LEU A 62 9.633 6.767 9.941 1.00 0.00 H new ATOM 0 HD11 LEU A 62 8.349 6.677 12.043 1.00 0.00 H new ATOM 0 HD12 LEU A 62 9.039 8.292 11.759 1.00 0.00 H new ATOM 0 HD13 LEU A 62 7.310 7.998 11.459 1.00 0.00 H new ATOM 0 HD21 LEU A 62 7.707 5.241 10.143 1.00 0.00 H new ATOM 0 HD22 LEU A 62 6.642 6.506 9.484 1.00 0.00 H new ATOM 0 HD23 LEU A 62 7.929 5.808 8.471 1.00 0.00 H new ATOM 956 N ASP A 63 8.988 10.332 6.652 1.00 0.00 N ATOM 957 CA ASP A 63 8.667 11.567 5.946 1.00 0.00 C ATOM 958 C ASP A 63 9.714 11.871 4.880 1.00 0.00 C ATOM 959 O ASP A 63 10.632 12.665 5.085 1.00 0.00 O ATOM 960 CB ASP A 63 8.570 12.733 6.931 1.00 0.00 C ATOM 961 CG ASP A 63 7.182 12.876 7.525 1.00 0.00 C ATOM 962 OD1 ASP A 63 6.226 12.328 6.937 1.00 0.00 O ATOM 963 OD2 ASP A 63 7.053 13.536 8.577 1.00 0.00 O ATOM 0 H ASP A 63 9.942 10.286 7.009 1.00 0.00 H new ATOM 0 HA ASP A 63 7.703 11.436 5.455 1.00 0.00 H new ATOM 0 HB2 ASP A 63 9.292 12.587 7.734 1.00 0.00 H new ATOM 0 HB3 ASP A 63 8.841 13.658 6.422 1.00 0.00 H new ATOM 968 N PRO A 64 9.576 11.225 3.713 1.00 0.00 N ATOM 969 CA PRO A 64 10.501 11.410 2.591 1.00 0.00 C ATOM 970 C PRO A 64 10.372 12.790 1.954 1.00 0.00 C ATOM 971 O PRO A 64 9.347 13.111 1.353 1.00 0.00 O ATOM 972 CB PRO A 64 10.079 10.322 1.600 1.00 0.00 C ATOM 973 CG PRO A 64 8.648 10.057 1.915 1.00 0.00 C ATOM 974 CD PRO A 64 8.505 10.264 3.398 1.00 0.00 C ATOM 0 HA PRO A 64 11.542 11.339 2.906 1.00 0.00 H new ATOM 0 HB2 PRO A 64 10.202 10.656 0.570 1.00 0.00 H new ATOM 0 HB3 PRO A 64 10.683 9.423 1.718 1.00 0.00 H new ATOM 0 HG2 PRO A 64 7.995 10.732 1.362 1.00 0.00 H new ATOM 0 HG3 PRO A 64 8.368 9.042 1.634 1.00 0.00 H new ATOM 0 HD2 PRO A 64 7.522 10.659 3.656 1.00 0.00 H new ATOM 0 HD3 PRO A 64 8.628 9.331 3.948 1.00 0.00 H new ATOM 982 N GLN A 65 11.417 13.599 2.091 1.00 0.00 N ATOM 983 CA GLN A 65 11.418 14.945 1.528 1.00 0.00 C ATOM 984 C GLN A 65 11.921 14.932 0.088 1.00 0.00 C ATOM 985 O GLN A 65 11.556 15.790 -0.716 1.00 0.00 O ATOM 986 CB GLN A 65 12.288 15.874 2.377 1.00 0.00 C ATOM 987 CG GLN A 65 11.936 17.345 2.224 1.00 0.00 C ATOM 988 CD GLN A 65 10.546 17.668 2.734 1.00 0.00 C ATOM 989 OE1 GLN A 65 9.932 16.871 3.444 1.00 0.00 O ATOM 990 NE2 GLN A 65 10.041 18.842 2.373 1.00 0.00 N ATOM 0 H GLN A 65 12.273 13.347 2.586 1.00 0.00 H new ATOM 0 HA GLN A 65 10.393 15.315 1.532 1.00 0.00 H new ATOM 0 HB2 GLN A 65 12.190 15.593 3.425 1.00 0.00 H new ATOM 0 HB3 GLN A 65 13.333 15.729 2.105 1.00 0.00 H new ATOM 0 HG2 GLN A 65 12.666 17.948 2.764 1.00 0.00 H new ATOM 0 HG3 GLN A 65 12.007 17.624 1.173 1.00 0.00 H new ATOM 0 HE21 GLN A 65 10.585 19.472 1.783 1.00 0.00 H new ATOM 0 HE22 GLN A 65 9.109 19.114 2.685 1.00 0.00 H new ATOM 999 N THR A 66 12.762 13.953 -0.232 1.00 0.00 N ATOM 1000 CA THR A 66 13.316 13.830 -1.574 1.00 0.00 C ATOM 1001 C THR A 66 12.864 12.534 -2.238 1.00 0.00 C ATOM 1002 O THR A 66 12.251 11.680 -1.599 1.00 0.00 O ATOM 1003 CB THR A 66 14.855 13.873 -1.552 1.00 0.00 C ATOM 1004 OG1 THR A 66 15.363 12.821 -0.723 1.00 0.00 O ATOM 1005 CG2 THR A 66 15.352 15.215 -1.038 1.00 0.00 C ATOM 0 H THR A 66 13.074 13.234 0.421 1.00 0.00 H new ATOM 0 HA THR A 66 12.945 14.678 -2.149 1.00 0.00 H new ATOM 0 HB THR A 66 15.214 13.737 -2.572 1.00 0.00 H new ATOM 0 HG1 THR A 66 16.342 12.854 -0.716 1.00 0.00 H new ATOM 0 HG21 THR A 66 16.442 15.221 -1.032 1.00 0.00 H new ATOM 0 HG22 THR A 66 14.988 16.011 -1.688 1.00 0.00 H new ATOM 0 HG23 THR A 66 14.982 15.376 -0.025 1.00 0.00 H new ATOM 1013 N GLU A 67 13.173 12.394 -3.523 1.00 0.00 N ATOM 1014 CA GLU A 67 12.797 11.201 -4.273 1.00 0.00 C ATOM 1015 C GLU A 67 13.495 9.965 -3.713 1.00 0.00 C ATOM 1016 O GLU A 67 12.844 8.999 -3.316 1.00 0.00 O ATOM 1017 CB GLU A 67 13.147 11.371 -5.753 1.00 0.00 C ATOM 1018 CG GLU A 67 12.982 10.099 -6.567 1.00 0.00 C ATOM 1019 CD GLU A 67 13.833 10.095 -7.822 1.00 0.00 C ATOM 1020 OE1 GLU A 67 13.712 11.045 -8.624 1.00 0.00 O ATOM 1021 OE2 GLU A 67 14.620 9.142 -8.003 1.00 0.00 O ATOM 0 H GLU A 67 13.682 13.091 -4.066 1.00 0.00 H new ATOM 0 HA GLU A 67 11.720 11.065 -4.175 1.00 0.00 H new ATOM 0 HB2 GLU A 67 12.515 12.150 -6.180 1.00 0.00 H new ATOM 0 HB3 GLU A 67 14.178 11.715 -5.837 1.00 0.00 H new ATOM 0 HG2 GLU A 67 13.247 9.240 -5.950 1.00 0.00 H new ATOM 0 HG3 GLU A 67 11.934 9.982 -6.843 1.00 0.00 H new ATOM 1028 N ALA A 68 14.823 10.003 -3.685 1.00 0.00 N ATOM 1029 CA ALA A 68 15.609 8.888 -3.173 1.00 0.00 C ATOM 1030 C ALA A 68 14.985 8.313 -1.906 1.00 0.00 C ATOM 1031 O ALA A 68 15.003 7.101 -1.689 1.00 0.00 O ATOM 1032 CB ALA A 68 17.040 9.330 -2.905 1.00 0.00 C ATOM 0 H ALA A 68 15.377 10.795 -4.011 1.00 0.00 H new ATOM 0 HA ALA A 68 15.618 8.104 -3.930 1.00 0.00 H new ATOM 0 HB1 ALA A 68 17.616 8.487 -2.523 1.00 0.00 H new ATOM 0 HB2 ALA A 68 17.490 9.687 -3.831 1.00 0.00 H new ATOM 0 HB3 ALA A 68 17.041 10.133 -2.168 1.00 0.00 H new ATOM 1038 N ASP A 69 14.434 9.189 -1.073 1.00 0.00 N ATOM 1039 CA ASP A 69 13.804 8.768 0.173 1.00 0.00 C ATOM 1040 C ASP A 69 12.517 7.997 -0.103 1.00 0.00 C ATOM 1041 O ASP A 69 12.205 7.024 0.585 1.00 0.00 O ATOM 1042 CB ASP A 69 13.507 9.982 1.055 1.00 0.00 C ATOM 1043 CG ASP A 69 14.754 10.535 1.717 1.00 0.00 C ATOM 1044 OD1 ASP A 69 15.853 10.364 1.149 1.00 0.00 O ATOM 1045 OD2 ASP A 69 14.630 11.139 2.802 1.00 0.00 O ATOM 0 H ASP A 69 14.411 10.195 -1.238 1.00 0.00 H new ATOM 0 HA ASP A 69 14.496 8.109 0.697 1.00 0.00 H new ATOM 0 HB2 ASP A 69 13.044 10.762 0.451 1.00 0.00 H new ATOM 0 HB3 ASP A 69 12.785 9.702 1.822 1.00 0.00 H new ATOM 1050 N CYS A 70 11.774 8.438 -1.111 1.00 0.00 N ATOM 1051 CA CYS A 70 10.519 7.790 -1.477 1.00 0.00 C ATOM 1052 C CYS A 70 10.775 6.424 -2.105 1.00 0.00 C ATOM 1053 O CYS A 70 10.337 5.398 -1.582 1.00 0.00 O ATOM 1054 CB CYS A 70 9.730 8.671 -2.447 1.00 0.00 C ATOM 1055 SG CYS A 70 8.279 7.864 -3.163 1.00 0.00 S ATOM 0 H CYS A 70 12.018 9.242 -1.690 1.00 0.00 H new ATOM 0 HA CYS A 70 9.934 7.648 -0.568 1.00 0.00 H new ATOM 0 HB2 CYS A 70 9.410 9.572 -1.924 1.00 0.00 H new ATOM 0 HB3 CYS A 70 10.391 8.988 -3.253 1.00 0.00 H new ATOM 0 HG CYS A 70 8.048 8.355 -4.344 1.00 0.00 H new ATOM 1061 N ILE A 71 11.485 6.418 -3.228 1.00 0.00 N ATOM 1062 CA ILE A 71 11.798 5.178 -3.927 1.00 0.00 C ATOM 1063 C ILE A 71 12.293 4.110 -2.957 1.00 0.00 C ATOM 1064 O ILE A 71 12.007 2.925 -3.124 1.00 0.00 O ATOM 1065 CB ILE A 71 12.864 5.399 -5.016 1.00 0.00 C ATOM 1066 CG1 ILE A 71 12.375 6.428 -6.037 1.00 0.00 C ATOM 1067 CG2 ILE A 71 13.202 4.084 -5.701 1.00 0.00 C ATOM 1068 CD1 ILE A 71 11.299 5.900 -6.959 1.00 0.00 C ATOM 0 H ILE A 71 11.854 7.258 -3.673 1.00 0.00 H new ATOM 0 HA ILE A 71 10.875 4.839 -4.397 1.00 0.00 H new ATOM 0 HB ILE A 71 13.769 5.784 -4.545 1.00 0.00 H new ATOM 0 HG12 ILE A 71 11.992 7.300 -5.507 1.00 0.00 H new ATOM 0 HG13 ILE A 71 13.222 6.765 -6.635 1.00 0.00 H new ATOM 0 HG21 ILE A 71 13.957 4.257 -6.468 1.00 0.00 H new ATOM 0 HG22 ILE A 71 13.588 3.379 -4.965 1.00 0.00 H new ATOM 0 HG23 ILE A 71 12.304 3.672 -6.162 1.00 0.00 H new ATOM 0 HD11 ILE A 71 11.000 6.683 -7.656 1.00 0.00 H new ATOM 0 HD12 ILE A 71 11.684 5.046 -7.516 1.00 0.00 H new ATOM 0 HD13 ILE A 71 10.436 5.590 -6.370 1.00 0.00 H new ATOM 1080 N ASN A 72 13.035 4.539 -1.941 1.00 0.00 N ATOM 1081 CA ASN A 72 13.568 3.620 -0.942 1.00 0.00 C ATOM 1082 C ASN A 72 12.441 2.911 -0.198 1.00 0.00 C ATOM 1083 O ASN A 72 12.541 1.727 0.118 1.00 0.00 O ATOM 1084 CB ASN A 72 14.456 4.372 0.051 1.00 0.00 C ATOM 1085 CG ASN A 72 15.878 4.534 -0.452 1.00 0.00 C ATOM 1086 OD1 ASN A 72 16.319 3.809 -1.344 1.00 0.00 O ATOM 1087 ND2 ASN A 72 16.603 5.488 0.120 1.00 0.00 N ATOM 0 H ASN A 72 13.281 5.517 -1.788 1.00 0.00 H new ATOM 0 HA ASN A 72 14.167 2.869 -1.458 1.00 0.00 H new ATOM 0 HB2 ASN A 72 14.028 5.355 0.245 1.00 0.00 H new ATOM 0 HB3 ASN A 72 14.468 3.837 1.001 1.00 0.00 H new ATOM 0 HD21 ASN A 72 17.566 5.643 -0.177 1.00 0.00 H new ATOM 0 HD22 ASN A 72 16.196 6.065 0.856 1.00 0.00 H new ATOM 1094 N ASN A 73 11.368 3.646 0.078 1.00 0.00 N ATOM 1095 CA ASN A 73 10.221 3.087 0.785 1.00 0.00 C ATOM 1096 C ASN A 73 9.511 2.042 -0.070 1.00 0.00 C ATOM 1097 O ASN A 73 9.298 0.910 0.366 1.00 0.00 O ATOM 1098 CB ASN A 73 9.242 4.199 1.168 1.00 0.00 C ATOM 1099 CG ASN A 73 9.866 5.226 2.093 1.00 0.00 C ATOM 1100 OD1 ASN A 73 11.019 5.089 2.503 1.00 0.00 O ATOM 1101 ND2 ASN A 73 9.106 6.263 2.425 1.00 0.00 N ATOM 0 H ASN A 73 11.269 4.629 -0.177 1.00 0.00 H new ATOM 0 HA ASN A 73 10.585 2.603 1.691 1.00 0.00 H new ATOM 0 HB2 ASN A 73 8.889 4.695 0.264 1.00 0.00 H new ATOM 0 HB3 ASN A 73 8.370 3.760 1.652 1.00 0.00 H new ATOM 0 HD21 ASN A 73 9.473 6.987 3.043 1.00 0.00 H new ATOM 0 HD22 ASN A 73 8.156 6.336 2.062 1.00 0.00 H new ATOM 1108 N ILE A 74 9.149 2.428 -1.288 1.00 0.00 N ATOM 1109 CA ILE A 74 8.465 1.524 -2.204 1.00 0.00 C ATOM 1110 C ILE A 74 9.231 0.214 -2.357 1.00 0.00 C ATOM 1111 O ILE A 74 8.713 -0.859 -2.050 1.00 0.00 O ATOM 1112 CB ILE A 74 8.280 2.163 -3.593 1.00 0.00 C ATOM 1113 CG1 ILE A 74 7.518 3.484 -3.473 1.00 0.00 C ATOM 1114 CG2 ILE A 74 7.550 1.206 -4.524 1.00 0.00 C ATOM 1115 CD1 ILE A 74 7.818 4.459 -4.590 1.00 0.00 C ATOM 0 H ILE A 74 9.318 3.361 -1.664 1.00 0.00 H new ATOM 0 HA ILE A 74 7.484 1.321 -1.774 1.00 0.00 H new ATOM 0 HB ILE A 74 9.263 2.370 -4.015 1.00 0.00 H new ATOM 0 HG12 ILE A 74 6.448 3.277 -3.460 1.00 0.00 H new ATOM 0 HG13 ILE A 74 7.764 3.950 -2.519 1.00 0.00 H new ATOM 0 HG21 ILE A 74 7.427 1.672 -5.502 1.00 0.00 H new ATOM 0 HG22 ILE A 74 8.129 0.289 -4.630 1.00 0.00 H new ATOM 0 HG23 ILE A 74 6.570 0.971 -4.108 1.00 0.00 H new ATOM 0 HD11 ILE A 74 7.243 5.373 -4.440 1.00 0.00 H new ATOM 0 HD12 ILE A 74 8.882 4.696 -4.590 1.00 0.00 H new ATOM 0 HD13 ILE A 74 7.546 4.012 -5.546 1.00 0.00 H new ATOM 1127 N ASN A 75 10.468 0.311 -2.833 1.00 0.00 N ATOM 1128 CA ASN A 75 11.307 -0.867 -3.026 1.00 0.00 C ATOM 1129 C ASN A 75 11.312 -1.742 -1.776 1.00 0.00 C ATOM 1130 O ASN A 75 11.199 -2.965 -1.861 1.00 0.00 O ATOM 1131 CB ASN A 75 12.737 -0.449 -3.374 1.00 0.00 C ATOM 1132 CG ASN A 75 12.937 -0.262 -4.866 1.00 0.00 C ATOM 1133 OD1 ASN A 75 12.740 -1.191 -5.651 1.00 0.00 O ATOM 1134 ND2 ASN A 75 13.331 0.942 -5.264 1.00 0.00 N ATOM 0 H ASN A 75 10.912 1.192 -3.092 1.00 0.00 H new ATOM 0 HA ASN A 75 10.893 -1.445 -3.852 1.00 0.00 H new ATOM 0 HB2 ASN A 75 12.977 0.481 -2.859 1.00 0.00 H new ATOM 0 HB3 ASN A 75 13.433 -1.204 -3.009 1.00 0.00 H new ATOM 0 HD21 ASN A 75 13.483 1.127 -6.256 1.00 0.00 H new ATOM 0 HD22 ASN A 75 13.482 1.682 -4.578 1.00 0.00 H new ATOM 1141 N ASP A 76 11.443 -1.107 -0.616 1.00 0.00 N ATOM 1142 CA ASP A 76 11.461 -1.827 0.652 1.00 0.00 C ATOM 1143 C ASP A 76 10.203 -2.675 0.813 1.00 0.00 C ATOM 1144 O ASP A 76 10.281 -3.880 1.053 1.00 0.00 O ATOM 1145 CB ASP A 76 11.582 -0.845 1.818 1.00 0.00 C ATOM 1146 CG ASP A 76 13.023 -0.506 2.143 1.00 0.00 C ATOM 1147 OD1 ASP A 76 13.806 -0.278 1.197 1.00 0.00 O ATOM 1148 OD2 ASP A 76 13.369 -0.469 3.342 1.00 0.00 O ATOM 0 H ASP A 76 11.538 -0.095 -0.528 1.00 0.00 H new ATOM 0 HA ASP A 76 12.327 -2.490 0.654 1.00 0.00 H new ATOM 0 HB2 ASP A 76 11.042 0.070 1.575 1.00 0.00 H new ATOM 0 HB3 ASP A 76 11.105 -1.272 2.700 1.00 0.00 H new ATOM 1153 N PHE A 77 9.045 -2.037 0.681 1.00 0.00 N ATOM 1154 CA PHE A 77 7.770 -2.732 0.814 1.00 0.00 C ATOM 1155 C PHE A 77 7.770 -4.028 0.009 1.00 0.00 C ATOM 1156 O PHE A 77 7.277 -5.059 0.469 1.00 0.00 O ATOM 1157 CB PHE A 77 6.623 -1.832 0.351 1.00 0.00 C ATOM 1158 CG PHE A 77 5.360 -2.583 0.038 1.00 0.00 C ATOM 1159 CD1 PHE A 77 4.692 -3.285 1.027 1.00 0.00 C ATOM 1160 CD2 PHE A 77 4.842 -2.586 -1.248 1.00 0.00 C ATOM 1161 CE1 PHE A 77 3.529 -3.976 0.742 1.00 0.00 C ATOM 1162 CE2 PHE A 77 3.680 -3.275 -1.539 1.00 0.00 C ATOM 1163 CZ PHE A 77 3.024 -3.972 -0.543 1.00 0.00 C ATOM 0 H PHE A 77 8.963 -1.040 0.482 1.00 0.00 H new ATOM 0 HA PHE A 77 7.628 -2.978 1.866 1.00 0.00 H new ATOM 0 HB2 PHE A 77 6.415 -1.094 1.126 1.00 0.00 H new ATOM 0 HB3 PHE A 77 6.938 -1.282 -0.536 1.00 0.00 H new ATOM 0 HD1 PHE A 77 5.084 -3.293 2.033 1.00 0.00 H new ATOM 0 HD2 PHE A 77 5.352 -2.044 -2.031 1.00 0.00 H new ATOM 0 HE1 PHE A 77 3.016 -4.518 1.523 1.00 0.00 H new ATOM 0 HE2 PHE A 77 3.285 -3.269 -2.544 1.00 0.00 H new ATOM 0 HZ PHE A 77 2.117 -4.513 -0.769 1.00 0.00 H new ATOM 1173 N LEU A 78 8.327 -3.969 -1.196 1.00 0.00 N ATOM 1174 CA LEU A 78 8.392 -5.137 -2.068 1.00 0.00 C ATOM 1175 C LEU A 78 9.224 -6.245 -1.431 1.00 0.00 C ATOM 1176 O LEU A 78 8.851 -7.418 -1.473 1.00 0.00 O ATOM 1177 CB LEU A 78 8.985 -4.753 -3.424 1.00 0.00 C ATOM 1178 CG LEU A 78 8.248 -3.657 -4.194 1.00 0.00 C ATOM 1179 CD1 LEU A 78 9.144 -3.065 -5.271 1.00 0.00 C ATOM 1180 CD2 LEU A 78 6.966 -4.204 -4.805 1.00 0.00 C ATOM 0 H LEU A 78 8.740 -3.124 -1.592 1.00 0.00 H new ATOM 0 HA LEU A 78 7.378 -5.508 -2.215 1.00 0.00 H new ATOM 0 HB2 LEU A 78 10.015 -4.431 -3.269 1.00 0.00 H new ATOM 0 HB3 LEU A 78 9.021 -5.646 -4.048 1.00 0.00 H new ATOM 0 HG LEU A 78 7.984 -2.864 -3.495 1.00 0.00 H new ATOM 0 HD11 LEU A 78 8.602 -2.287 -5.808 1.00 0.00 H new ATOM 0 HD12 LEU A 78 10.033 -2.635 -4.809 1.00 0.00 H new ATOM 0 HD13 LEU A 78 9.440 -3.848 -5.969 1.00 0.00 H new ATOM 0 HD21 LEU A 78 6.455 -3.410 -5.349 1.00 0.00 H new ATOM 0 HD22 LEU A 78 7.207 -5.016 -5.490 1.00 0.00 H new ATOM 0 HD23 LEU A 78 6.316 -4.578 -4.014 1.00 0.00 H new ATOM 1192 N LYS A 79 10.352 -5.866 -0.840 1.00 0.00 N ATOM 1193 CA LYS A 79 11.236 -6.827 -0.190 1.00 0.00 C ATOM 1194 C LYS A 79 10.442 -7.793 0.683 1.00 0.00 C ATOM 1195 O LYS A 79 10.817 -8.954 0.840 1.00 0.00 O ATOM 1196 CB LYS A 79 12.281 -6.097 0.657 1.00 0.00 C ATOM 1197 CG LYS A 79 13.080 -5.064 -0.119 1.00 0.00 C ATOM 1198 CD LYS A 79 14.207 -4.485 0.719 1.00 0.00 C ATOM 1199 CE LYS A 79 15.296 -5.515 0.976 1.00 0.00 C ATOM 1200 NZ LYS A 79 16.587 -4.876 1.353 1.00 0.00 N ATOM 0 H LYS A 79 10.676 -4.900 -0.798 1.00 0.00 H new ATOM 0 HA LYS A 79 11.743 -7.400 -0.966 1.00 0.00 H new ATOM 0 HB2 LYS A 79 11.781 -5.605 1.491 1.00 0.00 H new ATOM 0 HB3 LYS A 79 12.967 -6.829 1.083 1.00 0.00 H new ATOM 0 HG2 LYS A 79 13.492 -5.522 -1.018 1.00 0.00 H new ATOM 0 HG3 LYS A 79 12.419 -4.261 -0.445 1.00 0.00 H new ATOM 0 HD2 LYS A 79 14.634 -3.622 0.209 1.00 0.00 H new ATOM 0 HD3 LYS A 79 13.809 -4.129 1.670 1.00 0.00 H new ATOM 0 HE2 LYS A 79 14.978 -6.188 1.772 1.00 0.00 H new ATOM 0 HE3 LYS A 79 15.439 -6.123 0.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 17.303 -5.612 1.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 16.904 -4.253 0.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 16.457 -4.317 2.220 1.00 0.00 H new ATOM 1214 N GLY A 80 9.343 -7.305 1.249 1.00 0.00 N ATOM 1215 CA GLY A 80 8.513 -8.139 2.099 1.00 0.00 C ATOM 1216 C GLY A 80 7.391 -8.812 1.333 1.00 0.00 C ATOM 1217 O GLY A 80 6.896 -9.863 1.741 1.00 0.00 O ATOM 0 H GLY A 80 9.012 -6.347 1.134 1.00 0.00 H new ATOM 0 HA2 GLY A 80 9.133 -8.900 2.573 1.00 0.00 H new ATOM 0 HA3 GLY A 80 8.089 -7.530 2.898 1.00 0.00 H new ATOM 1221 N CYS A 81 6.988 -8.205 0.223 1.00 0.00 N ATOM 1222 CA CYS A 81 5.915 -8.750 -0.601 1.00 0.00 C ATOM 1223 C CYS A 81 6.308 -10.106 -1.178 1.00 0.00 C ATOM 1224 O CYS A 81 5.463 -10.979 -1.369 1.00 0.00 O ATOM 1225 CB CYS A 81 5.569 -7.781 -1.732 1.00 0.00 C ATOM 1226 SG CYS A 81 4.957 -6.176 -1.168 1.00 0.00 S ATOM 0 H CYS A 81 7.388 -7.335 -0.128 1.00 0.00 H new ATOM 0 HA CYS A 81 5.038 -8.885 0.032 1.00 0.00 H new ATOM 0 HB2 CYS A 81 6.456 -7.624 -2.346 1.00 0.00 H new ATOM 0 HB3 CYS A 81 4.816 -8.241 -2.372 1.00 0.00 H new ATOM 0 HG CYS A 81 5.795 -5.668 -0.314 1.00 0.00 H new ATOM 1232 N ALA A 82 7.597 -10.273 -1.455 1.00 0.00 N ATOM 1233 CA ALA A 82 8.103 -11.522 -2.011 1.00 0.00 C ATOM 1234 C ALA A 82 7.784 -12.700 -1.095 1.00 0.00 C ATOM 1235 O ALA A 82 7.694 -13.843 -1.544 1.00 0.00 O ATOM 1236 CB ALA A 82 9.603 -11.426 -2.246 1.00 0.00 C ATOM 0 H ALA A 82 8.310 -9.559 -1.304 1.00 0.00 H new ATOM 0 HA ALA A 82 7.607 -11.693 -2.966 1.00 0.00 H new ATOM 0 HB1 ALA A 82 9.967 -12.366 -2.661 1.00 0.00 H new ATOM 0 HB2 ALA A 82 9.811 -10.616 -2.945 1.00 0.00 H new ATOM 0 HB3 ALA A 82 10.107 -11.228 -1.300 1.00 0.00 H new ATOM 1242 N THR A 83 7.614 -12.413 0.192 1.00 0.00 N ATOM 1243 CA THR A 83 7.307 -13.448 1.171 1.00 0.00 C ATOM 1244 C THR A 83 5.952 -14.087 0.889 1.00 0.00 C ATOM 1245 O THR A 83 5.723 -15.253 1.216 1.00 0.00 O ATOM 1246 CB THR A 83 7.307 -12.884 2.604 1.00 0.00 C ATOM 1247 OG1 THR A 83 8.650 -12.638 3.034 1.00 0.00 O ATOM 1248 CG2 THR A 83 6.629 -13.848 3.566 1.00 0.00 C ATOM 0 H THR A 83 7.684 -11.472 0.580 1.00 0.00 H new ATOM 0 HA THR A 83 8.087 -14.204 1.086 1.00 0.00 H new ATOM 0 HB THR A 83 6.750 -11.947 2.601 1.00 0.00 H new ATOM 0 HG1 THR A 83 8.641 -12.278 3.945 1.00 0.00 H new ATOM 0 HG21 THR A 83 6.642 -13.428 4.572 1.00 0.00 H new ATOM 0 HG22 THR A 83 5.597 -14.009 3.253 1.00 0.00 H new ATOM 0 HG23 THR A 83 7.162 -14.799 3.564 1.00 0.00 H new ATOM 1256 N LEU A 84 5.056 -13.319 0.279 1.00 0.00 N ATOM 1257 CA LEU A 84 3.723 -13.811 -0.049 1.00 0.00 C ATOM 1258 C LEU A 84 3.697 -14.427 -1.444 1.00 0.00 C ATOM 1259 O LEU A 84 2.732 -15.091 -1.821 1.00 0.00 O ATOM 1260 CB LEU A 84 2.703 -12.674 0.037 1.00 0.00 C ATOM 1261 CG LEU A 84 2.595 -11.970 1.390 1.00 0.00 C ATOM 1262 CD1 LEU A 84 2.144 -10.529 1.208 1.00 0.00 C ATOM 1263 CD2 LEU A 84 1.639 -12.718 2.307 1.00 0.00 C ATOM 0 H LEU A 84 5.229 -12.353 0.002 1.00 0.00 H new ATOM 0 HA LEU A 84 3.460 -14.583 0.674 1.00 0.00 H new ATOM 0 HB2 LEU A 84 2.954 -11.929 -0.718 1.00 0.00 H new ATOM 0 HB3 LEU A 84 1.722 -13.072 -0.222 1.00 0.00 H new ATOM 0 HG LEU A 84 3.581 -11.965 1.854 1.00 0.00 H new ATOM 0 HD11 LEU A 84 2.073 -10.044 2.182 1.00 0.00 H new ATOM 0 HD12 LEU A 84 2.867 -9.997 0.590 1.00 0.00 H new ATOM 0 HD13 LEU A 84 1.168 -10.512 0.722 1.00 0.00 H new ATOM 0 HD21 LEU A 84 1.575 -12.202 3.265 1.00 0.00 H new ATOM 0 HD22 LEU A 84 0.651 -12.756 1.849 1.00 0.00 H new ATOM 0 HD23 LEU A 84 2.005 -13.732 2.465 1.00 0.00 H new ATOM 1275 N GLN A 85 4.765 -14.205 -2.203 1.00 0.00 N ATOM 1276 CA GLN A 85 4.865 -14.740 -3.556 1.00 0.00 C ATOM 1277 C GLN A 85 3.730 -14.221 -4.432 1.00 0.00 C ATOM 1278 O GLN A 85 3.325 -14.875 -5.394 1.00 0.00 O ATOM 1279 CB GLN A 85 4.843 -16.269 -3.525 1.00 0.00 C ATOM 1280 CG GLN A 85 5.924 -16.876 -2.644 1.00 0.00 C ATOM 1281 CD GLN A 85 7.278 -16.913 -3.325 1.00 0.00 C ATOM 1282 OE1 GLN A 85 7.406 -16.560 -4.498 1.00 0.00 O ATOM 1283 NE2 GLN A 85 8.298 -17.343 -2.591 1.00 0.00 N ATOM 0 H GLN A 85 5.573 -13.659 -1.904 1.00 0.00 H new ATOM 0 HA GLN A 85 5.811 -14.406 -3.983 1.00 0.00 H new ATOM 0 HB2 GLN A 85 3.868 -16.603 -3.171 1.00 0.00 H new ATOM 0 HB3 GLN A 85 4.960 -16.646 -4.541 1.00 0.00 H new ATOM 0 HG2 GLN A 85 6.001 -16.301 -1.721 1.00 0.00 H new ATOM 0 HG3 GLN A 85 5.634 -17.889 -2.365 1.00 0.00 H new ATOM 0 HE21 GLN A 85 8.146 -17.626 -1.623 1.00 0.00 H new ATOM 0 HE22 GLN A 85 9.233 -17.391 -2.996 1.00 0.00 H new ATOM 1292 N VAL A 86 3.219 -13.041 -4.093 1.00 0.00 N ATOM 1293 CA VAL A 86 2.130 -12.434 -4.849 1.00 0.00 C ATOM 1294 C VAL A 86 2.664 -11.458 -5.892 1.00 0.00 C ATOM 1295 O VAL A 86 3.818 -11.036 -5.828 1.00 0.00 O ATOM 1296 CB VAL A 86 1.149 -11.692 -3.923 1.00 0.00 C ATOM 1297 CG1 VAL A 86 0.350 -12.682 -3.088 1.00 0.00 C ATOM 1298 CG2 VAL A 86 1.896 -10.711 -3.032 1.00 0.00 C ATOM 0 H VAL A 86 3.542 -12.487 -3.300 1.00 0.00 H new ATOM 0 HA VAL A 86 1.601 -13.245 -5.350 1.00 0.00 H new ATOM 0 HB VAL A 86 0.450 -11.127 -4.540 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -0.338 -12.139 -2.440 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -0.216 -13.341 -3.747 1.00 0.00 H new ATOM 0 HG13 VAL A 86 1.031 -13.276 -2.478 1.00 0.00 H new ATOM 0 HG21 VAL A 86 1.187 -10.195 -2.384 1.00 0.00 H new ATOM 0 HG22 VAL A 86 2.619 -11.252 -2.421 1.00 0.00 H new ATOM 0 HG23 VAL A 86 2.418 -9.982 -3.651 1.00 0.00 H new ATOM 1308 N GLU A 87 1.815 -11.104 -6.852 1.00 0.00 N ATOM 1309 CA GLU A 87 2.202 -10.178 -7.910 1.00 0.00 C ATOM 1310 C GLU A 87 2.902 -8.952 -7.330 1.00 0.00 C ATOM 1311 O GLU A 87 2.710 -8.609 -6.163 1.00 0.00 O ATOM 1312 CB GLU A 87 0.973 -9.744 -8.713 1.00 0.00 C ATOM 1313 CG GLU A 87 0.048 -8.808 -7.954 1.00 0.00 C ATOM 1314 CD GLU A 87 -1.036 -9.548 -7.195 1.00 0.00 C ATOM 1315 OE1 GLU A 87 -0.732 -10.103 -6.118 1.00 0.00 O ATOM 1316 OE2 GLU A 87 -2.187 -9.573 -7.677 1.00 0.00 O ATOM 0 H GLU A 87 0.856 -11.444 -6.919 1.00 0.00 H new ATOM 0 HA GLU A 87 2.897 -10.693 -8.573 1.00 0.00 H new ATOM 0 HB2 GLU A 87 1.303 -9.252 -9.628 1.00 0.00 H new ATOM 0 HB3 GLU A 87 0.413 -10.630 -9.012 1.00 0.00 H new ATOM 0 HG2 GLU A 87 0.634 -8.212 -7.254 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -0.414 -8.113 -8.655 1.00 0.00 H new ATOM 1323 N ILE A 88 3.715 -8.298 -8.153 1.00 0.00 N ATOM 1324 CA ILE A 88 4.443 -7.111 -7.723 1.00 0.00 C ATOM 1325 C ILE A 88 4.453 -6.046 -8.814 1.00 0.00 C ATOM 1326 O ILE A 88 3.870 -6.232 -9.883 1.00 0.00 O ATOM 1327 CB ILE A 88 5.896 -7.450 -7.339 1.00 0.00 C ATOM 1328 CG1 ILE A 88 6.600 -8.160 -8.498 1.00 0.00 C ATOM 1329 CG2 ILE A 88 5.925 -8.313 -6.087 1.00 0.00 C ATOM 1330 CD1 ILE A 88 8.098 -7.951 -8.513 1.00 0.00 C ATOM 0 H ILE A 88 3.886 -8.570 -9.121 1.00 0.00 H new ATOM 0 HA ILE A 88 3.924 -6.724 -6.846 1.00 0.00 H new ATOM 0 HB ILE A 88 6.427 -6.522 -7.129 1.00 0.00 H new ATOM 0 HG12 ILE A 88 6.391 -9.228 -8.440 1.00 0.00 H new ATOM 0 HG13 ILE A 88 6.182 -7.804 -9.440 1.00 0.00 H new ATOM 0 HG21 ILE A 88 6.958 -8.544 -5.828 1.00 0.00 H new ATOM 0 HG22 ILE A 88 5.456 -7.775 -5.263 1.00 0.00 H new ATOM 0 HG23 ILE A 88 5.381 -9.239 -6.271 1.00 0.00 H new ATOM 0 HD11 ILE A 88 8.531 -8.482 -9.361 1.00 0.00 H new ATOM 0 HD12 ILE A 88 8.316 -6.887 -8.602 1.00 0.00 H new ATOM 0 HD13 ILE A 88 8.528 -8.333 -7.587 1.00 0.00 H new ATOM 1342 N PHE A 89 5.121 -4.931 -8.539 1.00 0.00 N ATOM 1343 CA PHE A 89 5.208 -3.836 -9.498 1.00 0.00 C ATOM 1344 C PHE A 89 6.520 -3.075 -9.337 1.00 0.00 C ATOM 1345 O PHE A 89 7.272 -3.305 -8.389 1.00 0.00 O ATOM 1346 CB PHE A 89 4.026 -2.880 -9.322 1.00 0.00 C ATOM 1347 CG PHE A 89 3.838 -2.414 -7.906 1.00 0.00 C ATOM 1348 CD1 PHE A 89 4.676 -1.454 -7.362 1.00 0.00 C ATOM 1349 CD2 PHE A 89 2.824 -2.937 -7.120 1.00 0.00 C ATOM 1350 CE1 PHE A 89 4.505 -1.023 -6.060 1.00 0.00 C ATOM 1351 CE2 PHE A 89 2.648 -2.509 -5.818 1.00 0.00 C ATOM 1352 CZ PHE A 89 3.491 -1.552 -5.286 1.00 0.00 C ATOM 0 H PHE A 89 5.610 -4.762 -7.660 1.00 0.00 H new ATOM 0 HA PHE A 89 5.176 -4.262 -10.501 1.00 0.00 H new ATOM 0 HB2 PHE A 89 4.172 -2.012 -9.965 1.00 0.00 H new ATOM 0 HB3 PHE A 89 3.115 -3.376 -9.657 1.00 0.00 H new ATOM 0 HD1 PHE A 89 5.472 -1.038 -7.962 1.00 0.00 H new ATOM 0 HD2 PHE A 89 2.164 -3.687 -7.529 1.00 0.00 H new ATOM 0 HE1 PHE A 89 5.164 -0.273 -5.648 1.00 0.00 H new ATOM 0 HE2 PHE A 89 1.852 -2.922 -5.216 1.00 0.00 H new ATOM 0 HZ PHE A 89 3.357 -1.219 -4.267 1.00 0.00 H new ATOM 1362 N ASP A 90 6.790 -2.168 -10.270 1.00 0.00 N ATOM 1363 CA ASP A 90 8.011 -1.372 -10.232 1.00 0.00 C ATOM 1364 C ASP A 90 7.785 -0.066 -9.476 1.00 0.00 C ATOM 1365 O ASP A 90 6.670 0.449 -9.397 1.00 0.00 O ATOM 1366 CB ASP A 90 8.497 -1.076 -11.652 1.00 0.00 C ATOM 1367 CG ASP A 90 9.177 -2.271 -12.291 1.00 0.00 C ATOM 1368 OD1 ASP A 90 10.324 -2.578 -11.905 1.00 0.00 O ATOM 1369 OD2 ASP A 90 8.561 -2.899 -13.178 1.00 0.00 O ATOM 0 H ASP A 90 6.179 -1.966 -11.062 1.00 0.00 H new ATOM 0 HA ASP A 90 8.774 -1.947 -9.708 1.00 0.00 H new ATOM 0 HB2 ASP A 90 7.650 -0.772 -12.267 1.00 0.00 H new ATOM 0 HB3 ASP A 90 9.191 -0.236 -11.628 1.00 0.00 H new ATOM 1374 N PRO A 91 8.868 0.483 -8.906 1.00 0.00 N ATOM 1375 CA PRO A 91 8.814 1.735 -8.146 1.00 0.00 C ATOM 1376 C PRO A 91 8.550 2.944 -9.038 1.00 0.00 C ATOM 1377 O PRO A 91 8.275 4.040 -8.549 1.00 0.00 O ATOM 1378 CB PRO A 91 10.206 1.829 -7.517 1.00 0.00 C ATOM 1379 CG PRO A 91 11.085 1.037 -8.422 1.00 0.00 C ATOM 1380 CD PRO A 91 10.229 -0.076 -8.960 1.00 0.00 C ATOM 0 HA PRO A 91 8.002 1.735 -7.419 1.00 0.00 H new ATOM 0 HB2 PRO A 91 10.540 2.864 -7.447 1.00 0.00 H new ATOM 0 HB3 PRO A 91 10.211 1.423 -6.505 1.00 0.00 H new ATOM 0 HG2 PRO A 91 11.473 1.657 -9.230 1.00 0.00 H new ATOM 0 HG3 PRO A 91 11.946 0.642 -7.883 1.00 0.00 H new ATOM 0 HD2 PRO A 91 10.513 -0.345 -9.977 1.00 0.00 H new ATOM 0 HD3 PRO A 91 10.317 -0.979 -8.355 1.00 0.00 H new ATOM 1388 N ASP A 92 8.635 2.737 -10.347 1.00 0.00 N ATOM 1389 CA ASP A 92 8.404 3.809 -11.308 1.00 0.00 C ATOM 1390 C ASP A 92 6.928 3.893 -11.684 1.00 0.00 C ATOM 1391 O ASP A 92 6.420 4.965 -12.012 1.00 0.00 O ATOM 1392 CB ASP A 92 9.251 3.591 -12.562 1.00 0.00 C ATOM 1393 CG ASP A 92 10.594 2.961 -12.251 1.00 0.00 C ATOM 1394 OD1 ASP A 92 11.499 3.688 -11.791 1.00 0.00 O ATOM 1395 OD2 ASP A 92 10.741 1.739 -12.468 1.00 0.00 O ATOM 0 H ASP A 92 8.862 1.836 -10.767 1.00 0.00 H new ATOM 0 HA ASP A 92 8.696 4.750 -10.842 1.00 0.00 H new ATOM 0 HB2 ASP A 92 8.706 2.953 -13.258 1.00 0.00 H new ATOM 0 HB3 ASP A 92 9.408 4.547 -13.061 1.00 0.00 H new ATOM 1400 N ASP A 93 6.245 2.754 -11.636 1.00 0.00 N ATOM 1401 CA ASP A 93 4.827 2.698 -11.972 1.00 0.00 C ATOM 1402 C ASP A 93 3.993 3.446 -10.936 1.00 0.00 C ATOM 1403 O ASP A 93 3.062 4.174 -11.282 1.00 0.00 O ATOM 1404 CB ASP A 93 4.361 1.244 -12.067 1.00 0.00 C ATOM 1405 CG ASP A 93 4.948 0.525 -13.265 1.00 0.00 C ATOM 1406 OD1 ASP A 93 4.900 1.089 -14.378 1.00 0.00 O ATOM 1407 OD2 ASP A 93 5.457 -0.602 -13.090 1.00 0.00 O ATOM 0 H ASP A 93 6.651 1.857 -11.368 1.00 0.00 H new ATOM 0 HA ASP A 93 4.689 3.180 -12.940 1.00 0.00 H new ATOM 0 HB2 ASP A 93 4.642 0.715 -11.156 1.00 0.00 H new ATOM 0 HB3 ASP A 93 3.273 1.218 -12.128 1.00 0.00 H new ATOM 1412 N LEU A 94 4.333 3.261 -9.665 1.00 0.00 N ATOM 1413 CA LEU A 94 3.615 3.917 -8.578 1.00 0.00 C ATOM 1414 C LEU A 94 4.121 5.341 -8.373 1.00 0.00 C ATOM 1415 O LEU A 94 3.351 6.300 -8.440 1.00 0.00 O ATOM 1416 CB LEU A 94 3.768 3.117 -7.283 1.00 0.00 C ATOM 1417 CG LEU A 94 3.667 3.918 -5.984 1.00 0.00 C ATOM 1418 CD1 LEU A 94 2.320 4.617 -5.891 1.00 0.00 C ATOM 1419 CD2 LEU A 94 3.884 3.012 -4.781 1.00 0.00 C ATOM 0 H LEU A 94 5.101 2.662 -9.362 1.00 0.00 H new ATOM 0 HA LEU A 94 2.560 3.961 -8.847 1.00 0.00 H new ATOM 0 HB2 LEU A 94 3.004 2.339 -7.267 1.00 0.00 H new ATOM 0 HB3 LEU A 94 4.735 2.614 -7.302 1.00 0.00 H new ATOM 0 HG LEU A 94 4.448 4.678 -5.987 1.00 0.00 H new ATOM 0 HD11 LEU A 94 2.267 5.182 -4.960 1.00 0.00 H new ATOM 0 HD12 LEU A 94 2.204 5.297 -6.735 1.00 0.00 H new ATOM 0 HD13 LEU A 94 1.522 3.874 -5.911 1.00 0.00 H new ATOM 0 HD21 LEU A 94 3.809 3.599 -3.865 1.00 0.00 H new ATOM 0 HD22 LEU A 94 3.126 2.229 -4.774 1.00 0.00 H new ATOM 0 HD23 LEU A 94 4.873 2.558 -4.841 1.00 0.00 H new ATOM 1431 N TYR A 95 5.419 5.472 -8.125 1.00 0.00 N ATOM 1432 CA TYR A 95 6.029 6.779 -7.911 1.00 0.00 C ATOM 1433 C TYR A 95 5.503 7.797 -8.917 1.00 0.00 C ATOM 1434 O TYR A 95 4.987 8.850 -8.541 1.00 0.00 O ATOM 1435 CB TYR A 95 7.551 6.679 -8.018 1.00 0.00 C ATOM 1436 CG TYR A 95 8.267 7.972 -7.698 1.00 0.00 C ATOM 1437 CD1 TYR A 95 8.065 8.620 -6.486 1.00 0.00 C ATOM 1438 CD2 TYR A 95 9.146 8.545 -8.608 1.00 0.00 C ATOM 1439 CE1 TYR A 95 8.716 9.802 -6.190 1.00 0.00 C ATOM 1440 CE2 TYR A 95 9.803 9.726 -8.321 1.00 0.00 C ATOM 1441 CZ TYR A 95 9.584 10.351 -7.110 1.00 0.00 C ATOM 1442 OH TYR A 95 10.236 11.527 -6.819 1.00 0.00 O ATOM 0 H TYR A 95 6.070 4.689 -8.067 1.00 0.00 H new ATOM 0 HA TYR A 95 5.764 7.115 -6.909 1.00 0.00 H new ATOM 0 HB2 TYR A 95 7.904 5.901 -7.341 1.00 0.00 H new ATOM 0 HB3 TYR A 95 7.816 6.367 -9.028 1.00 0.00 H new ATOM 0 HD1 TYR A 95 7.387 8.192 -5.762 1.00 0.00 H new ATOM 0 HD2 TYR A 95 9.319 8.059 -9.557 1.00 0.00 H new ATOM 0 HE1 TYR A 95 8.546 10.293 -5.243 1.00 0.00 H new ATOM 0 HE2 TYR A 95 10.484 10.158 -9.040 1.00 0.00 H new ATOM 0 HH TYR A 95 10.811 11.777 -7.572 1.00 0.00 H new ATOM 1452 N SER A 96 5.637 7.475 -10.200 1.00 0.00 N ATOM 1453 CA SER A 96 5.178 8.362 -11.263 1.00 0.00 C ATOM 1454 C SER A 96 3.669 8.248 -11.453 1.00 0.00 C ATOM 1455 O SER A 96 2.948 9.243 -11.398 1.00 0.00 O ATOM 1456 CB SER A 96 5.895 8.035 -12.574 1.00 0.00 C ATOM 1457 OG SER A 96 5.523 8.940 -13.599 1.00 0.00 O ATOM 0 H SER A 96 6.060 6.607 -10.528 1.00 0.00 H new ATOM 0 HA SER A 96 5.413 9.386 -10.974 1.00 0.00 H new ATOM 0 HB2 SER A 96 6.974 8.076 -12.422 1.00 0.00 H new ATOM 0 HB3 SER A 96 5.655 7.017 -12.879 1.00 0.00 H new ATOM 0 HG SER A 96 5.996 8.710 -14.426 1.00 0.00 H new ATOM 1463 N GLY A 97 3.198 7.025 -11.677 1.00 0.00 N ATOM 1464 CA GLY A 97 1.778 6.801 -11.872 1.00 0.00 C ATOM 1465 C GLY A 97 1.458 6.281 -13.260 1.00 0.00 C ATOM 1466 O GLY A 97 0.428 6.628 -13.839 1.00 0.00 O ATOM 0 H GLY A 97 3.775 6.185 -11.727 1.00 0.00 H new ATOM 0 HA2 GLY A 97 1.420 6.088 -11.129 1.00 0.00 H new ATOM 0 HA3 GLY A 97 1.240 7.734 -11.704 1.00 0.00 H new ATOM 1470 N VAL A 98 2.343 5.447 -13.796 1.00 0.00 N ATOM 1471 CA VAL A 98 2.150 4.878 -15.125 1.00 0.00 C ATOM 1472 C VAL A 98 1.137 3.740 -15.094 1.00 0.00 C ATOM 1473 O VAL A 98 0.131 3.771 -15.801 1.00 0.00 O ATOM 1474 CB VAL A 98 3.476 4.355 -15.709 1.00 0.00 C ATOM 1475 CG1 VAL A 98 3.250 3.745 -17.084 1.00 0.00 C ATOM 1476 CG2 VAL A 98 4.506 5.473 -15.775 1.00 0.00 C ATOM 0 H VAL A 98 3.201 5.150 -13.331 1.00 0.00 H new ATOM 0 HA VAL A 98 1.772 5.679 -15.761 1.00 0.00 H new ATOM 0 HB VAL A 98 3.861 3.576 -15.051 1.00 0.00 H new ATOM 0 HG11 VAL A 98 4.198 3.381 -17.481 1.00 0.00 H new ATOM 0 HG12 VAL A 98 2.548 2.915 -17.003 1.00 0.00 H new ATOM 0 HG13 VAL A 98 2.842 4.501 -17.755 1.00 0.00 H new ATOM 0 HG21 VAL A 98 5.437 5.086 -16.190 1.00 0.00 H new ATOM 0 HG22 VAL A 98 4.131 6.276 -16.410 1.00 0.00 H new ATOM 0 HG23 VAL A 98 4.689 5.859 -14.772 1.00 0.00 H new ATOM 1486 N ASN A 99 1.410 2.735 -14.268 1.00 0.00 N ATOM 1487 CA ASN A 99 0.521 1.584 -14.144 1.00 0.00 C ATOM 1488 C ASN A 99 0.085 1.388 -12.696 1.00 0.00 C ATOM 1489 O ASN A 99 0.830 0.846 -11.879 1.00 0.00 O ATOM 1490 CB ASN A 99 1.215 0.320 -14.655 1.00 0.00 C ATOM 1491 CG ASN A 99 1.251 0.253 -16.170 1.00 0.00 C ATOM 1492 OD1 ASN A 99 0.621 1.060 -16.853 1.00 0.00 O ATOM 1493 ND2 ASN A 99 1.990 -0.714 -16.702 1.00 0.00 N ATOM 0 H ASN A 99 2.239 2.694 -13.675 1.00 0.00 H new ATOM 0 HA ASN A 99 -0.365 1.774 -14.749 1.00 0.00 H new ATOM 0 HB2 ASN A 99 2.233 0.286 -14.268 1.00 0.00 H new ATOM 0 HB3 ASN A 99 0.697 -0.557 -14.267 1.00 0.00 H new ATOM 0 HD21 ASN A 99 2.052 -0.810 -17.716 1.00 0.00 H new ATOM 0 HD22 ASN A 99 2.496 -1.361 -16.097 1.00 0.00 H new ATOM 1500 N PHE A 100 -1.128 1.832 -12.384 1.00 0.00 N ATOM 1501 CA PHE A 100 -1.665 1.705 -11.034 1.00 0.00 C ATOM 1502 C PHE A 100 -2.364 0.362 -10.850 1.00 0.00 C ATOM 1503 O PHE A 100 -2.191 -0.306 -9.831 1.00 0.00 O ATOM 1504 CB PHE A 100 -2.643 2.846 -10.742 1.00 0.00 C ATOM 1505 CG PHE A 100 -3.113 2.882 -9.316 1.00 0.00 C ATOM 1506 CD1 PHE A 100 -2.202 2.913 -8.273 1.00 0.00 C ATOM 1507 CD2 PHE A 100 -4.467 2.884 -9.019 1.00 0.00 C ATOM 1508 CE1 PHE A 100 -2.633 2.946 -6.960 1.00 0.00 C ATOM 1509 CE2 PHE A 100 -4.903 2.917 -7.708 1.00 0.00 C ATOM 1510 CZ PHE A 100 -3.985 2.949 -6.677 1.00 0.00 C ATOM 0 H PHE A 100 -1.758 2.283 -13.048 1.00 0.00 H new ATOM 0 HA PHE A 100 -0.833 1.760 -10.333 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -2.164 3.795 -10.982 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -3.508 2.750 -11.399 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -1.144 2.911 -8.488 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -5.190 2.859 -9.821 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -1.913 2.969 -6.156 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -5.961 2.918 -7.490 1.00 0.00 H new ATOM 0 HZ PHE A 100 -4.323 2.976 -5.652 1.00 0.00 H new ATOM 1520 N SER A 101 -3.156 -0.028 -11.845 1.00 0.00 N ATOM 1521 CA SER A 101 -3.885 -1.289 -11.792 1.00 0.00 C ATOM 1522 C SER A 101 -3.041 -2.378 -11.136 1.00 0.00 C ATOM 1523 O SER A 101 -3.551 -3.201 -10.375 1.00 0.00 O ATOM 1524 CB SER A 101 -4.295 -1.725 -13.200 1.00 0.00 C ATOM 1525 OG SER A 101 -4.855 -3.027 -13.189 1.00 0.00 O ATOM 0 H SER A 101 -3.308 0.512 -12.697 1.00 0.00 H new ATOM 0 HA SER A 101 -4.781 -1.137 -11.191 1.00 0.00 H new ATOM 0 HB2 SER A 101 -5.018 -1.018 -13.607 1.00 0.00 H new ATOM 0 HB3 SER A 101 -3.426 -1.705 -13.858 1.00 0.00 H new ATOM 0 HG SER A 101 -5.110 -3.281 -14.100 1.00 0.00 H new ATOM 1531 N LYS A 102 -1.747 -2.376 -11.436 1.00 0.00 N ATOM 1532 CA LYS A 102 -0.830 -3.361 -10.876 1.00 0.00 C ATOM 1533 C LYS A 102 -0.618 -3.121 -9.385 1.00 0.00 C ATOM 1534 O LYS A 102 -0.622 -4.059 -8.588 1.00 0.00 O ATOM 1535 CB LYS A 102 0.514 -3.311 -11.607 1.00 0.00 C ATOM 1536 CG LYS A 102 0.483 -3.962 -12.980 1.00 0.00 C ATOM 1537 CD LYS A 102 1.776 -3.717 -13.741 1.00 0.00 C ATOM 1538 CE LYS A 102 2.846 -4.729 -13.361 1.00 0.00 C ATOM 1539 NZ LYS A 102 4.218 -4.193 -13.580 1.00 0.00 N ATOM 0 H LYS A 102 -1.309 -1.702 -12.065 1.00 0.00 H new ATOM 0 HA LYS A 102 -1.272 -4.348 -11.008 1.00 0.00 H new ATOM 0 HB2 LYS A 102 0.822 -2.271 -11.714 1.00 0.00 H new ATOM 0 HB3 LYS A 102 1.269 -3.806 -10.996 1.00 0.00 H new ATOM 0 HG2 LYS A 102 0.321 -5.034 -12.872 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -0.357 -3.568 -13.552 1.00 0.00 H new ATOM 0 HD2 LYS A 102 1.585 -3.773 -14.813 1.00 0.00 H new ATOM 0 HD3 LYS A 102 2.136 -2.709 -13.533 1.00 0.00 H new ATOM 0 HE2 LYS A 102 2.727 -5.007 -12.314 1.00 0.00 H new ATOM 0 HE3 LYS A 102 2.713 -5.637 -13.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 4.919 -4.912 -13.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 4.340 -3.951 -14.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 4.355 -3.341 -13.000 1.00 0.00 H new ATOM 1553 N VAL A 103 -0.434 -1.858 -9.013 1.00 0.00 N ATOM 1554 CA VAL A 103 -0.223 -1.494 -7.617 1.00 0.00 C ATOM 1555 C VAL A 103 -1.461 -1.790 -6.779 1.00 0.00 C ATOM 1556 O VAL A 103 -1.360 -2.115 -5.595 1.00 0.00 O ATOM 1557 CB VAL A 103 0.136 -0.003 -7.474 1.00 0.00 C ATOM 1558 CG1 VAL A 103 0.361 0.354 -6.012 1.00 0.00 C ATOM 1559 CG2 VAL A 103 1.363 0.332 -8.308 1.00 0.00 C ATOM 0 H VAL A 103 -0.427 -1.069 -9.660 1.00 0.00 H new ATOM 0 HA VAL A 103 0.610 -2.097 -7.255 1.00 0.00 H new ATOM 0 HB VAL A 103 -0.699 0.591 -7.844 1.00 0.00 H new ATOM 0 HG11 VAL A 103 0.614 1.411 -5.930 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -0.548 0.153 -5.444 1.00 0.00 H new ATOM 0 HG13 VAL A 103 1.178 -0.246 -5.613 1.00 0.00 H new ATOM 0 HG21 VAL A 103 1.602 1.389 -8.195 1.00 0.00 H new ATOM 0 HG22 VAL A 103 2.207 -0.269 -7.971 1.00 0.00 H new ATOM 0 HG23 VAL A 103 1.160 0.116 -9.357 1.00 0.00 H new ATOM 1569 N LEU A 104 -2.630 -1.677 -7.400 1.00 0.00 N ATOM 1570 CA LEU A 104 -3.891 -1.933 -6.712 1.00 0.00 C ATOM 1571 C LEU A 104 -4.120 -3.431 -6.536 1.00 0.00 C ATOM 1572 O LEU A 104 -4.503 -3.888 -5.459 1.00 0.00 O ATOM 1573 CB LEU A 104 -5.054 -1.316 -7.489 1.00 0.00 C ATOM 1574 CG LEU A 104 -6.447 -1.527 -6.894 1.00 0.00 C ATOM 1575 CD1 LEU A 104 -6.596 -0.748 -5.596 1.00 0.00 C ATOM 1576 CD2 LEU A 104 -7.521 -1.117 -7.891 1.00 0.00 C ATOM 0 H LEU A 104 -2.731 -1.410 -8.379 1.00 0.00 H new ATOM 0 HA LEU A 104 -3.838 -1.473 -5.725 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -4.877 -0.244 -7.577 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -5.047 -1.725 -8.499 1.00 0.00 H new ATOM 0 HG LEU A 104 -6.570 -2.587 -6.674 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -7.593 -0.910 -5.187 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -5.850 -1.090 -4.879 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -6.452 0.315 -5.791 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -8.506 -1.274 -7.450 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -7.400 -0.063 -8.143 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -7.428 -1.719 -8.795 1.00 0.00 H new ATOM 1588 N SER A 105 -3.880 -4.190 -7.600 1.00 0.00 N ATOM 1589 CA SER A 105 -4.062 -5.637 -7.564 1.00 0.00 C ATOM 1590 C SER A 105 -3.072 -6.285 -6.600 1.00 0.00 C ATOM 1591 O SER A 105 -3.392 -7.266 -5.929 1.00 0.00 O ATOM 1592 CB SER A 105 -3.891 -6.229 -8.964 1.00 0.00 C ATOM 1593 OG SER A 105 -2.566 -6.051 -9.434 1.00 0.00 O ATOM 0 H SER A 105 -3.559 -3.828 -8.498 1.00 0.00 H new ATOM 0 HA SER A 105 -5.073 -5.843 -7.212 1.00 0.00 H new ATOM 0 HB2 SER A 105 -4.134 -7.291 -8.945 1.00 0.00 H new ATOM 0 HB3 SER A 105 -4.591 -5.754 -9.651 1.00 0.00 H new ATOM 0 HG SER A 105 -2.173 -5.259 -9.011 1.00 0.00 H new ATOM 1599 N THR A 106 -1.866 -5.729 -6.538 1.00 0.00 N ATOM 1600 CA THR A 106 -0.828 -6.251 -5.659 1.00 0.00 C ATOM 1601 C THR A 106 -1.267 -6.203 -4.200 1.00 0.00 C ATOM 1602 O THR A 106 -1.150 -7.191 -3.473 1.00 0.00 O ATOM 1603 CB THR A 106 0.487 -5.465 -5.814 1.00 0.00 C ATOM 1604 OG1 THR A 106 0.996 -5.616 -7.144 1.00 0.00 O ATOM 1605 CG2 THR A 106 1.526 -5.945 -4.811 1.00 0.00 C ATOM 0 H THR A 106 -1.584 -4.917 -7.087 1.00 0.00 H new ATOM 0 HA THR A 106 -0.659 -7.288 -5.950 1.00 0.00 H new ATOM 0 HB THR A 106 0.279 -4.412 -5.623 1.00 0.00 H new ATOM 0 HG1 THR A 106 0.523 -5.005 -7.747 1.00 0.00 H new ATOM 0 HG21 THR A 106 2.446 -5.375 -4.940 1.00 0.00 H new ATOM 0 HG22 THR A 106 1.148 -5.801 -3.799 1.00 0.00 H new ATOM 0 HG23 THR A 106 1.729 -7.003 -4.975 1.00 0.00 H new ATOM 1613 N LEU A 107 -1.774 -5.051 -3.778 1.00 0.00 N ATOM 1614 CA LEU A 107 -2.232 -4.874 -2.404 1.00 0.00 C ATOM 1615 C LEU A 107 -3.485 -5.703 -2.137 1.00 0.00 C ATOM 1616 O LEU A 107 -3.739 -6.117 -1.005 1.00 0.00 O ATOM 1617 CB LEU A 107 -2.516 -3.397 -2.126 1.00 0.00 C ATOM 1618 CG LEU A 107 -1.290 -2.496 -1.972 1.00 0.00 C ATOM 1619 CD1 LEU A 107 -1.710 -1.038 -1.864 1.00 0.00 C ATOM 1620 CD2 LEU A 107 -0.474 -2.909 -0.755 1.00 0.00 C ATOM 0 H LEU A 107 -1.879 -4.225 -4.367 1.00 0.00 H new ATOM 0 HA LEU A 107 -1.442 -5.217 -1.737 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -3.130 -3.006 -2.938 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -3.110 -3.327 -1.215 1.00 0.00 H new ATOM 0 HG LEU A 107 -0.666 -2.609 -2.859 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -0.825 -0.411 -1.755 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -2.251 -0.748 -2.764 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -2.355 -0.909 -0.995 1.00 0.00 H new ATOM 0 HD21 LEU A 107 0.394 -2.257 -0.661 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -1.089 -2.825 0.141 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -0.142 -3.941 -0.872 1.00 0.00 H new ATOM 1632 N LEU A 108 -4.263 -5.945 -3.186 1.00 0.00 N ATOM 1633 CA LEU A 108 -5.488 -6.727 -3.066 1.00 0.00 C ATOM 1634 C LEU A 108 -5.175 -8.179 -2.717 1.00 0.00 C ATOM 1635 O LEU A 108 -5.774 -8.751 -1.807 1.00 0.00 O ATOM 1636 CB LEU A 108 -6.286 -6.665 -4.370 1.00 0.00 C ATOM 1637 CG LEU A 108 -7.288 -5.516 -4.488 1.00 0.00 C ATOM 1638 CD1 LEU A 108 -7.822 -5.418 -5.909 1.00 0.00 C ATOM 1639 CD2 LEU A 108 -8.430 -5.700 -3.499 1.00 0.00 C ATOM 0 H LEU A 108 -4.067 -5.611 -4.130 1.00 0.00 H new ATOM 0 HA LEU A 108 -6.085 -6.299 -2.261 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -5.583 -6.595 -5.200 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -6.825 -7.605 -4.488 1.00 0.00 H new ATOM 0 HG LEU A 108 -6.774 -4.585 -4.249 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -8.534 -4.595 -5.974 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -6.996 -5.239 -6.597 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -8.320 -6.350 -6.176 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -9.133 -4.873 -3.597 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -8.943 -6.639 -3.706 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -8.033 -5.720 -2.484 1.00 0.00 H new ATOM 1651 N ALA A 109 -4.232 -8.767 -3.445 1.00 0.00 N ATOM 1652 CA ALA A 109 -3.837 -10.150 -3.210 1.00 0.00 C ATOM 1653 C ALA A 109 -3.301 -10.335 -1.794 1.00 0.00 C ATOM 1654 O ALA A 109 -3.609 -11.322 -1.127 1.00 0.00 O ATOM 1655 CB ALA A 109 -2.795 -10.582 -4.231 1.00 0.00 C ATOM 0 H ALA A 109 -3.727 -8.307 -4.203 1.00 0.00 H new ATOM 0 HA ALA A 109 -4.721 -10.778 -3.321 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -2.509 -11.617 -4.044 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -3.212 -10.497 -5.235 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -1.917 -9.942 -4.147 1.00 0.00 H new ATOM 1661 N VAL A 110 -2.497 -9.378 -1.341 1.00 0.00 N ATOM 1662 CA VAL A 110 -1.919 -9.435 -0.004 1.00 0.00 C ATOM 1663 C VAL A 110 -3.005 -9.433 1.065 1.00 0.00 C ATOM 1664 O VAL A 110 -3.086 -10.348 1.884 1.00 0.00 O ATOM 1665 CB VAL A 110 -0.966 -8.251 0.246 1.00 0.00 C ATOM 1666 CG1 VAL A 110 -0.579 -8.178 1.716 1.00 0.00 C ATOM 1667 CG2 VAL A 110 0.270 -8.367 -0.633 1.00 0.00 C ATOM 0 H VAL A 110 -2.231 -8.554 -1.881 1.00 0.00 H new ATOM 0 HA VAL A 110 -1.355 -10.366 0.057 1.00 0.00 H new ATOM 0 HB VAL A 110 -1.485 -7.329 -0.015 1.00 0.00 H new ATOM 0 HG11 VAL A 110 0.095 -7.336 1.874 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -1.475 -8.044 2.322 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -0.079 -9.102 2.007 1.00 0.00 H new ATOM 0 HG21 VAL A 110 0.932 -7.522 -0.443 1.00 0.00 H new ATOM 0 HG22 VAL A 110 0.793 -9.296 -0.405 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -0.028 -8.366 -1.682 1.00 0.00 H new ATOM 1677 N ASN A 111 -3.840 -8.399 1.052 1.00 0.00 N ATOM 1678 CA ASN A 111 -4.923 -8.278 2.021 1.00 0.00 C ATOM 1679 C ASN A 111 -5.704 -9.584 2.129 1.00 0.00 C ATOM 1680 O ASN A 111 -6.158 -9.961 3.210 1.00 0.00 O ATOM 1681 CB ASN A 111 -5.865 -7.139 1.625 1.00 0.00 C ATOM 1682 CG ASN A 111 -7.276 -7.350 2.138 1.00 0.00 C ATOM 1683 OD1 ASN A 111 -8.213 -7.523 1.358 1.00 0.00 O ATOM 1684 ND2 ASN A 111 -7.434 -7.337 3.457 1.00 0.00 N ATOM 0 H ASN A 111 -3.787 -7.633 0.381 1.00 0.00 H new ATOM 0 HA ASN A 111 -4.484 -8.056 2.994 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -5.477 -6.198 2.015 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -5.886 -7.050 0.539 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -8.361 -7.474 3.861 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -6.629 -7.190 4.066 1.00 0.00 H new ATOM 1691 N LYS A 112 -5.858 -10.271 1.002 1.00 0.00 N ATOM 1692 CA LYS A 112 -6.582 -11.536 0.969 1.00 0.00 C ATOM 1693 C LYS A 112 -5.754 -12.653 1.597 1.00 0.00 C ATOM 1694 O LYS A 112 -6.295 -13.552 2.240 1.00 0.00 O ATOM 1695 CB LYS A 112 -6.944 -11.902 -0.472 1.00 0.00 C ATOM 1696 CG LYS A 112 -8.285 -11.349 -0.922 1.00 0.00 C ATOM 1697 CD LYS A 112 -9.429 -12.266 -0.524 1.00 0.00 C ATOM 1698 CE LYS A 112 -9.622 -13.386 -1.536 1.00 0.00 C ATOM 1699 NZ LYS A 112 -10.066 -12.867 -2.859 1.00 0.00 N ATOM 0 H LYS A 112 -5.491 -9.972 0.099 1.00 0.00 H new ATOM 0 HA LYS A 112 -7.498 -11.418 1.548 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -6.165 -11.531 -1.139 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -6.957 -12.988 -0.570 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -8.439 -10.363 -0.483 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -8.281 -11.219 -2.004 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -9.230 -12.693 0.459 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -10.349 -11.687 -0.440 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -8.687 -13.933 -1.656 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -10.359 -14.094 -1.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -10.551 -13.623 -3.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -10.719 -12.070 -2.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -9.239 -12.545 -3.401 1.00 0.00 H new ATOM 1713 N ALA A 113 -4.441 -12.589 1.407 1.00 0.00 N ATOM 1714 CA ALA A 113 -3.539 -13.593 1.957 1.00 0.00 C ATOM 1715 C ALA A 113 -3.455 -13.482 3.476 1.00 0.00 C ATOM 1716 O ALA A 113 -3.362 -14.488 4.179 1.00 0.00 O ATOM 1717 CB ALA A 113 -2.156 -13.456 1.338 1.00 0.00 C ATOM 0 H ALA A 113 -3.978 -11.852 0.876 1.00 0.00 H new ATOM 0 HA ALA A 113 -3.938 -14.577 1.712 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -1.493 -14.212 1.758 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -2.225 -13.593 0.259 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -1.758 -12.464 1.553 1.00 0.00 H new ATOM 1723 N THR A 114 -3.487 -12.251 3.977 1.00 0.00 N ATOM 1724 CA THR A 114 -3.412 -12.008 5.412 1.00 0.00 C ATOM 1725 C THR A 114 -4.688 -12.458 6.113 1.00 0.00 C ATOM 1726 O THR A 114 -4.650 -12.927 7.250 1.00 0.00 O ATOM 1727 CB THR A 114 -3.170 -10.517 5.718 1.00 0.00 C ATOM 1728 OG1 THR A 114 -4.157 -9.716 5.060 1.00 0.00 O ATOM 1729 CG2 THR A 114 -1.781 -10.091 5.267 1.00 0.00 C ATOM 0 H THR A 114 -3.564 -11.407 3.410 1.00 0.00 H new ATOM 0 HA THR A 114 -2.570 -12.590 5.787 1.00 0.00 H new ATOM 0 HB THR A 114 -3.245 -10.373 6.796 1.00 0.00 H new ATOM 0 HG1 THR A 114 -4.765 -10.295 4.554 1.00 0.00 H new ATOM 0 HG21 THR A 114 -1.633 -9.035 5.493 1.00 0.00 H new ATOM 0 HG22 THR A 114 -1.031 -10.683 5.791 1.00 0.00 H new ATOM 0 HG23 THR A 114 -1.683 -10.249 4.193 1.00 0.00 H new