USER MOD reduce.3.24.130724 H: found=0, std=0, add=559, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 561 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 1 VAL N :NH3+ -157:sc= -0.464 (180deg=-1.74!) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 GLN : amide:sc= -3.37! C(o=-3.4!,f=-3.9!) USER MOD Single : A 7 ASN : amide:sc=-0.00983 K(o=-0.0098,f=-1.3!) USER MOD Single : A 9 SER OG : rot 12:sc= 0.885 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0.0506 USER MOD Single : A 16 LYS NZ :NH3+ 157:sc= -0.0637 (180deg=-0.513) USER MOD Single : A 17 LYS NZ :NH3+ -155:sc= -0.334 (180deg=-1.65!) USER MOD Single : A 19 LYS NZ :NH3+ -106:sc= -0.22 (180deg=-1.02) USER MOD Single : A 34 ASN : amide:sc= -1.74! C(o=-1.7!,f=-6.8!) USER MOD Single : A 49 SER OG : rot 133:sc= 0.0361! USER MOD Single : A 50 ASN : amide:sc= -2.14! C(o=-2.1!,f=-3.3!) USER MOD Single : A 52 ASN : amide:sc= -10.8! C(o=-11!,f=-16!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -0.176 X(o=-0.18,f=0) USER MOD Single : A 67 GLN : amide:sc= -1.16! K(o=-1.2!,f=0) USER MOD Single : A 71 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 82 THR OG1 : rot -160:sc= -1.98! USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -2.009 -9.708 -0.541 1.00 0.00 N ATOM 2 CA VAL A 1 -1.858 -10.796 0.468 1.00 0.00 C ATOM 3 C VAL A 1 -2.689 -10.479 1.715 1.00 0.00 C ATOM 4 O VAL A 1 -3.380 -9.482 1.773 1.00 0.00 O ATOM 5 CB VAL A 1 -0.368 -10.820 0.808 1.00 0.00 C ATOM 6 CG1 VAL A 1 -0.026 -12.141 1.498 1.00 0.00 C ATOM 7 CG2 VAL A 1 0.450 -10.690 -0.479 1.00 0.00 C ATOM 0 H1 VAL A 1 -1.789 -10.079 -1.487 1.00 0.00 H new ATOM 0 H2 VAL A 1 -2.987 -9.355 -0.527 1.00 0.00 H new ATOM 0 H3 VAL A 1 -1.357 -8.931 -0.313 1.00 0.00 H new ATOM 0 HA VAL A 1 -2.204 -11.759 0.092 1.00 0.00 H new ATOM 0 HB VAL A 1 -0.132 -9.990 1.474 1.00 0.00 H new ATOM 0 HG11 VAL A 1 1.036 -12.160 1.741 1.00 0.00 H new ATOM 0 HG12 VAL A 1 -0.610 -12.235 2.414 1.00 0.00 H new ATOM 0 HG13 VAL A 1 -0.260 -12.971 0.832 1.00 0.00 H new ATOM 0 HG21 VAL A 1 1.513 -10.707 -0.238 1.00 0.00 H new ATOM 0 HG22 VAL A 1 0.216 -11.521 -1.145 1.00 0.00 H new ATOM 0 HG23 VAL A 1 0.205 -9.750 -0.972 1.00 0.00 H new ATOM 19 N THR A 2 -2.632 -11.321 2.709 1.00 0.00 N ATOM 20 CA THR A 2 -3.425 -11.064 3.944 1.00 0.00 C ATOM 21 C THR A 2 -2.521 -11.097 5.180 1.00 0.00 C ATOM 22 O THR A 2 -1.608 -11.895 5.276 1.00 0.00 O ATOM 23 CB THR A 2 -4.448 -12.199 3.999 1.00 0.00 C ATOM 24 OG1 THR A 2 -5.150 -12.260 2.765 1.00 0.00 O ATOM 25 CG2 THR A 2 -5.435 -11.944 5.139 1.00 0.00 C ATOM 0 H THR A 2 -2.072 -12.174 2.720 1.00 0.00 H new ATOM 0 HA THR A 2 -3.900 -10.083 3.929 1.00 0.00 H new ATOM 0 HB THR A 2 -3.934 -13.145 4.173 1.00 0.00 H new ATOM 0 HG1 THR A 2 -5.805 -12.988 2.797 1.00 0.00 H new ATOM 0 HG21 THR A 2 -6.164 -12.754 5.177 1.00 0.00 H new ATOM 0 HG22 THR A 2 -4.895 -11.897 6.084 1.00 0.00 H new ATOM 0 HG23 THR A 2 -5.951 -10.999 4.969 1.00 0.00 H new ATOM 33 N VAL A 3 -2.781 -10.241 6.130 1.00 0.00 N ATOM 34 CA VAL A 3 -1.949 -10.223 7.369 1.00 0.00 C ATOM 35 C VAL A 3 -2.442 -11.306 8.329 1.00 0.00 C ATOM 36 O VAL A 3 -3.579 -11.300 8.753 1.00 0.00 O ATOM 37 CB VAL A 3 -2.160 -8.831 7.968 1.00 0.00 C ATOM 38 CG1 VAL A 3 -1.368 -8.711 9.272 1.00 0.00 C ATOM 39 CG2 VAL A 3 -1.675 -7.773 6.976 1.00 0.00 C ATOM 0 H VAL A 3 -3.533 -9.553 6.103 1.00 0.00 H new ATOM 0 HA VAL A 3 -0.895 -10.419 7.173 1.00 0.00 H new ATOM 0 HB VAL A 3 -3.220 -8.679 8.173 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -1.518 -7.719 9.699 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -1.713 -9.466 9.978 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -0.308 -8.862 9.069 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -1.824 -6.780 7.401 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -0.615 -7.925 6.772 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -2.239 -7.859 6.047 1.00 0.00 H new ATOM 49 N GLN A 4 -1.604 -12.245 8.673 1.00 0.00 N ATOM 50 CA GLN A 4 -2.052 -13.325 9.597 1.00 0.00 C ATOM 51 C GLN A 4 -1.313 -13.237 10.934 1.00 0.00 C ATOM 52 O GLN A 4 -0.107 -13.101 10.985 1.00 0.00 O ATOM 53 CB GLN A 4 -1.708 -14.629 8.879 1.00 0.00 C ATOM 54 CG GLN A 4 -2.219 -15.814 9.704 1.00 0.00 C ATOM 55 CD GLN A 4 -1.613 -17.111 9.166 1.00 0.00 C ATOM 56 OE1 GLN A 4 -0.407 -17.240 9.074 1.00 0.00 O ATOM 57 NE2 GLN A 4 -2.403 -18.086 8.806 1.00 0.00 N ATOM 0 H GLN A 4 -0.636 -12.312 8.357 1.00 0.00 H new ATOM 0 HA GLN A 4 -3.115 -13.250 9.825 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -2.159 -14.641 7.887 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -0.630 -14.707 8.740 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -1.951 -15.683 10.752 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -3.307 -15.862 9.656 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -3.414 -17.978 8.883 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -2.009 -18.956 8.448 1.00 0.00 H new ATOM 66 N ASP A 5 -2.036 -13.326 12.015 1.00 0.00 N ATOM 67 CA ASP A 5 -1.390 -13.263 13.357 1.00 0.00 C ATOM 68 C ASP A 5 -1.053 -14.676 13.832 1.00 0.00 C ATOM 69 O ASP A 5 0.076 -15.120 13.746 1.00 0.00 O ATOM 70 CB ASP A 5 -2.434 -12.621 14.272 1.00 0.00 C ATOM 71 CG ASP A 5 -2.608 -11.148 13.893 1.00 0.00 C ATOM 72 OD1 ASP A 5 -1.831 -10.670 13.083 1.00 0.00 O ATOM 73 OD2 ASP A 5 -3.516 -10.525 14.418 1.00 0.00 O ATOM 0 H ASP A 5 -3.050 -13.440 12.028 1.00 0.00 H new ATOM 0 HA ASP A 5 -0.460 -12.695 13.348 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -3.385 -13.146 14.181 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -2.122 -12.705 15.313 1.00 0.00 H new ATOM 78 N GLY A 6 -2.025 -15.388 14.323 1.00 0.00 N ATOM 79 CA GLY A 6 -1.769 -16.776 14.796 1.00 0.00 C ATOM 80 C GLY A 6 -2.195 -17.764 13.706 1.00 0.00 C ATOM 81 O GLY A 6 -1.716 -17.716 12.591 1.00 0.00 O ATOM 0 H GLY A 6 -2.989 -15.069 14.418 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -0.712 -16.905 15.028 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -2.323 -16.968 15.715 1.00 0.00 H new ATOM 85 N ASN A 7 -3.091 -18.658 14.019 1.00 0.00 N ATOM 86 CA ASN A 7 -3.546 -19.646 13.000 1.00 0.00 C ATOM 87 C ASN A 7 -4.672 -19.052 12.148 1.00 0.00 C ATOM 88 O ASN A 7 -5.313 -19.742 11.382 1.00 0.00 O ATOM 89 CB ASN A 7 -4.058 -20.841 13.807 1.00 0.00 C ATOM 90 CG ASN A 7 -2.908 -21.432 14.625 1.00 0.00 C ATOM 91 OD1 ASN A 7 -1.753 -21.185 14.340 1.00 0.00 O ATOM 92 ND2 ASN A 7 -3.176 -22.209 15.639 1.00 0.00 N ATOM 0 H ASN A 7 -3.528 -18.748 14.936 1.00 0.00 H new ATOM 0 HA ASN A 7 -2.746 -19.928 12.315 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -4.866 -20.528 14.468 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -4.469 -21.597 13.138 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -2.416 -22.608 16.191 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -4.145 -22.417 15.880 1.00 0.00 H new ATOM 99 N PHE A 8 -4.920 -17.776 12.278 1.00 0.00 N ATOM 100 CA PHE A 8 -6.006 -17.142 11.477 1.00 0.00 C ATOM 101 C PHE A 8 -5.447 -15.990 10.634 1.00 0.00 C ATOM 102 O PHE A 8 -4.640 -15.207 11.094 1.00 0.00 O ATOM 103 CB PHE A 8 -7.001 -16.619 12.513 1.00 0.00 C ATOM 104 CG PHE A 8 -7.552 -17.779 13.307 1.00 0.00 C ATOM 105 CD1 PHE A 8 -8.650 -18.499 12.822 1.00 0.00 C ATOM 106 CD2 PHE A 8 -6.963 -18.137 14.525 1.00 0.00 C ATOM 107 CE1 PHE A 8 -9.160 -19.576 13.556 1.00 0.00 C ATOM 108 CE2 PHE A 8 -7.472 -19.215 15.259 1.00 0.00 C ATOM 109 CZ PHE A 8 -8.571 -19.935 14.775 1.00 0.00 C ATOM 0 H PHE A 8 -4.418 -17.146 12.904 1.00 0.00 H new ATOM 0 HA PHE A 8 -6.469 -17.842 10.781 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -6.511 -15.908 13.178 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -7.812 -16.085 12.018 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -9.104 -18.223 11.881 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -6.116 -17.582 14.899 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -10.008 -20.131 13.182 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -7.017 -19.491 16.199 1.00 0.00 H new ATOM 0 HZ PHE A 8 -8.964 -20.766 15.341 1.00 0.00 H new ATOM 119 N SER A 9 -5.872 -15.883 9.404 1.00 0.00 N ATOM 120 CA SER A 9 -5.369 -14.783 8.530 1.00 0.00 C ATOM 121 C SER A 9 -6.262 -13.547 8.674 1.00 0.00 C ATOM 122 O SER A 9 -7.470 -13.624 8.555 1.00 0.00 O ATOM 123 CB SER A 9 -5.444 -15.341 7.109 1.00 0.00 C ATOM 124 OG SER A 9 -6.801 -15.410 6.697 1.00 0.00 O ATOM 0 H SER A 9 -6.546 -16.510 8.966 1.00 0.00 H new ATOM 0 HA SER A 9 -4.357 -14.475 8.791 1.00 0.00 H new ATOM 0 HB2 SER A 9 -4.878 -14.706 6.427 1.00 0.00 H new ATOM 0 HB3 SER A 9 -4.991 -16.332 7.072 1.00 0.00 H new ATOM 0 HG SER A 9 -7.360 -14.908 7.327 1.00 0.00 H new ATOM 130 N PHE A 10 -5.679 -12.411 8.936 1.00 0.00 N ATOM 131 CA PHE A 10 -6.495 -11.172 9.096 1.00 0.00 C ATOM 132 C PHE A 10 -6.140 -10.144 8.014 1.00 0.00 C ATOM 133 O PHE A 10 -4.992 -9.791 7.831 1.00 0.00 O ATOM 134 CB PHE A 10 -6.120 -10.633 10.477 1.00 0.00 C ATOM 135 CG PHE A 10 -6.503 -11.633 11.546 1.00 0.00 C ATOM 136 CD1 PHE A 10 -7.567 -12.518 11.334 1.00 0.00 C ATOM 137 CD2 PHE A 10 -5.798 -11.662 12.755 1.00 0.00 C ATOM 138 CE1 PHE A 10 -7.927 -13.431 12.334 1.00 0.00 C ATOM 139 CE2 PHE A 10 -6.156 -12.577 13.753 1.00 0.00 C ATOM 140 CZ PHE A 10 -7.221 -13.460 13.543 1.00 0.00 C ATOM 0 H PHE A 10 -4.673 -12.285 9.047 1.00 0.00 H new ATOM 0 HA PHE A 10 -7.562 -11.372 9.002 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -5.049 -10.435 10.520 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -6.627 -9.685 10.656 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -8.110 -12.497 10.401 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -4.978 -10.979 12.918 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -8.749 -14.112 12.172 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -5.610 -12.601 14.685 1.00 0.00 H new ATOM 0 HZ PHE A 10 -7.499 -14.164 14.314 1.00 0.00 H new ATOM 150 N SER A 11 -7.117 -9.652 7.299 1.00 0.00 N ATOM 151 CA SER A 11 -6.825 -8.642 6.241 1.00 0.00 C ATOM 152 C SER A 11 -6.204 -7.392 6.876 1.00 0.00 C ATOM 153 O SER A 11 -6.357 -7.146 8.056 1.00 0.00 O ATOM 154 CB SER A 11 -8.184 -8.312 5.620 1.00 0.00 C ATOM 155 OG SER A 11 -8.008 -7.374 4.568 1.00 0.00 O ATOM 0 H SER A 11 -8.100 -9.905 7.401 1.00 0.00 H new ATOM 0 HA SER A 11 -6.120 -9.009 5.496 1.00 0.00 H new ATOM 0 HB2 SER A 11 -8.651 -9.220 5.238 1.00 0.00 H new ATOM 0 HB3 SER A 11 -8.853 -7.904 6.378 1.00 0.00 H new ATOM 0 HG SER A 11 -8.878 -7.163 4.169 1.00 0.00 H new ATOM 161 N LEU A 12 -5.494 -6.608 6.110 1.00 0.00 N ATOM 162 CA LEU A 12 -4.857 -5.388 6.687 1.00 0.00 C ATOM 163 C LEU A 12 -5.676 -4.131 6.361 1.00 0.00 C ATOM 164 O LEU A 12 -5.619 -3.145 7.067 1.00 0.00 O ATOM 165 CB LEU A 12 -3.465 -5.331 6.040 1.00 0.00 C ATOM 166 CG LEU A 12 -3.526 -4.604 4.693 1.00 0.00 C ATOM 167 CD1 LEU A 12 -2.120 -4.143 4.305 1.00 0.00 C ATOM 168 CD2 LEU A 12 -4.060 -5.555 3.619 1.00 0.00 C ATOM 0 H LEU A 12 -5.328 -6.758 5.115 1.00 0.00 H new ATOM 0 HA LEU A 12 -4.799 -5.429 7.775 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.770 -4.818 6.705 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.083 -6.342 5.897 1.00 0.00 H new ATOM 0 HG LEU A 12 -4.188 -3.742 4.775 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -2.158 -3.625 3.347 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -1.735 -3.466 5.068 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.463 -5.009 4.223 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -4.103 -5.036 2.662 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -3.398 -6.417 3.535 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -5.060 -5.890 3.895 1.00 0.00 H new ATOM 180 N GLU A 13 -6.434 -4.156 5.298 1.00 0.00 N ATOM 181 CA GLU A 13 -7.249 -2.959 4.932 1.00 0.00 C ATOM 182 C GLU A 13 -8.167 -2.552 6.091 1.00 0.00 C ATOM 183 O GLU A 13 -8.018 -1.494 6.674 1.00 0.00 O ATOM 184 CB GLU A 13 -8.078 -3.400 3.726 1.00 0.00 C ATOM 185 CG GLU A 13 -7.151 -3.645 2.535 1.00 0.00 C ATOM 186 CD GLU A 13 -7.988 -3.976 1.298 1.00 0.00 C ATOM 187 OE1 GLU A 13 -9.186 -4.147 1.446 1.00 0.00 O ATOM 188 OE2 GLU A 13 -7.415 -4.050 0.224 1.00 0.00 O ATOM 0 H GLU A 13 -6.525 -4.952 4.667 1.00 0.00 H new ATOM 0 HA GLU A 13 -6.624 -2.094 4.710 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -8.631 -4.309 3.964 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -8.814 -2.635 3.477 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -6.540 -2.762 2.348 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -6.467 -4.465 2.755 1.00 0.00 H new ATOM 195 N SER A 14 -9.116 -3.382 6.427 1.00 0.00 N ATOM 196 CA SER A 14 -10.045 -3.042 7.544 1.00 0.00 C ATOM 197 C SER A 14 -9.256 -2.672 8.797 1.00 0.00 C ATOM 198 O SER A 14 -9.616 -1.767 9.526 1.00 0.00 O ATOM 199 CB SER A 14 -10.859 -4.310 7.787 1.00 0.00 C ATOM 200 OG SER A 14 -11.319 -4.822 6.546 1.00 0.00 O ATOM 0 H SER A 14 -9.289 -4.281 5.977 1.00 0.00 H new ATOM 0 HA SER A 14 -10.679 -2.189 7.302 1.00 0.00 H new ATOM 0 HB2 SER A 14 -10.248 -5.055 8.296 1.00 0.00 H new ATOM 0 HB3 SER A 14 -11.705 -4.092 8.439 1.00 0.00 H new ATOM 0 HG SER A 14 -11.840 -5.637 6.701 1.00 0.00 H new ATOM 206 N VAL A 15 -8.178 -3.358 9.056 1.00 0.00 N ATOM 207 CA VAL A 15 -7.374 -3.032 10.263 1.00 0.00 C ATOM 208 C VAL A 15 -6.924 -1.574 10.201 1.00 0.00 C ATOM 209 O VAL A 15 -7.049 -0.838 11.159 1.00 0.00 O ATOM 210 CB VAL A 15 -6.187 -3.989 10.217 1.00 0.00 C ATOM 211 CG1 VAL A 15 -5.047 -3.436 11.078 1.00 0.00 C ATOM 212 CG2 VAL A 15 -6.634 -5.346 10.762 1.00 0.00 C ATOM 0 H VAL A 15 -7.822 -4.126 8.487 1.00 0.00 H new ATOM 0 HA VAL A 15 -7.934 -3.146 11.192 1.00 0.00 H new ATOM 0 HB VAL A 15 -5.834 -4.098 9.191 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -4.200 -4.121 11.044 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -4.742 -2.462 10.695 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -5.387 -3.331 12.108 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -5.796 -6.043 10.736 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -6.978 -5.230 11.790 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -7.448 -5.734 10.149 1.00 0.00 H new ATOM 222 N LYS A 16 -6.422 -1.138 9.078 1.00 0.00 N ATOM 223 CA LYS A 16 -5.998 0.284 8.971 1.00 0.00 C ATOM 224 C LYS A 16 -7.197 1.179 9.285 1.00 0.00 C ATOM 225 O LYS A 16 -7.141 2.030 10.149 1.00 0.00 O ATOM 226 CB LYS A 16 -5.552 0.468 7.521 1.00 0.00 C ATOM 227 CG LYS A 16 -5.105 1.918 7.309 1.00 0.00 C ATOM 228 CD LYS A 16 -4.642 2.105 5.862 1.00 0.00 C ATOM 229 CE LYS A 16 -3.879 3.424 5.735 1.00 0.00 C ATOM 230 NZ LYS A 16 -4.609 4.188 4.684 1.00 0.00 N ATOM 0 H LYS A 16 -6.288 -1.700 8.238 1.00 0.00 H new ATOM 0 HA LYS A 16 -5.197 0.542 9.663 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -4.734 -0.214 7.291 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -6.370 0.225 6.843 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -5.927 2.599 7.529 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -4.295 2.164 7.996 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -4.004 1.274 5.563 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -5.501 2.104 5.191 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -3.866 3.966 6.681 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -2.840 3.254 5.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -4.420 5.204 4.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -4.287 3.880 3.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -5.630 4.013 4.774 1.00 0.00 H new ATOM 244 N LYS A 17 -8.290 0.973 8.598 1.00 0.00 N ATOM 245 CA LYS A 17 -9.507 1.789 8.866 1.00 0.00 C ATOM 246 C LYS A 17 -10.237 1.241 10.095 1.00 0.00 C ATOM 247 O LYS A 17 -11.361 1.606 10.378 1.00 0.00 O ATOM 248 CB LYS A 17 -10.379 1.635 7.619 1.00 0.00 C ATOM 249 CG LYS A 17 -9.576 2.021 6.377 1.00 0.00 C ATOM 250 CD LYS A 17 -10.466 1.892 5.139 1.00 0.00 C ATOM 251 CE LYS A 17 -9.627 2.129 3.880 1.00 0.00 C ATOM 252 NZ LYS A 17 -8.803 3.330 4.190 1.00 0.00 N ATOM 0 H LYS A 17 -8.391 0.274 7.862 1.00 0.00 H new ATOM 0 HA LYS A 17 -9.268 2.834 9.066 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -10.728 0.606 7.533 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -11.264 2.266 7.702 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -9.209 3.043 6.470 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -8.702 1.376 6.280 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -10.919 0.901 5.106 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -11.281 2.614 5.187 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -9.000 1.267 3.655 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -10.260 2.298 3.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -8.536 3.806 3.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -9.353 3.984 4.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -7.944 3.040 4.700 1.00 0.00 H new ATOM 266 N LEU A 18 -9.603 0.367 10.829 1.00 0.00 N ATOM 267 CA LEU A 18 -10.250 -0.210 12.041 1.00 0.00 C ATOM 268 C LEU A 18 -10.605 0.904 13.030 1.00 0.00 C ATOM 269 O LEU A 18 -11.646 0.880 13.655 1.00 0.00 O ATOM 270 CB LEU A 18 -9.189 -1.147 12.624 1.00 0.00 C ATOM 271 CG LEU A 18 -9.798 -2.000 13.740 1.00 0.00 C ATOM 272 CD1 LEU A 18 -8.964 -3.273 13.916 1.00 0.00 C ATOM 273 CD2 LEU A 18 -9.797 -1.210 15.049 1.00 0.00 C ATOM 0 H LEU A 18 -8.660 0.027 10.640 1.00 0.00 H new ATOM 0 HA LEU A 18 -11.181 -0.732 11.819 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -8.790 -1.791 11.840 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -8.354 -0.566 13.014 1.00 0.00 H new ATOM 0 HG LEU A 18 -10.822 -2.264 13.477 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -9.395 -3.883 14.710 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -8.962 -3.839 12.984 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -7.941 -3.004 14.179 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -10.231 -1.819 15.842 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -8.773 -0.946 15.314 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -10.386 -0.301 14.926 1.00 0.00 H new ATOM 285 N LYS A 19 -9.752 1.884 13.171 1.00 0.00 N ATOM 286 CA LYS A 19 -10.052 3.000 14.115 1.00 0.00 C ATOM 287 C LYS A 19 -11.454 3.548 13.842 1.00 0.00 C ATOM 288 O LYS A 19 -12.217 3.819 14.748 1.00 0.00 O ATOM 289 CB LYS A 19 -8.993 4.064 13.820 1.00 0.00 C ATOM 290 CG LYS A 19 -9.121 5.207 14.831 1.00 0.00 C ATOM 291 CD LYS A 19 -8.013 6.233 14.586 1.00 0.00 C ATOM 292 CE LYS A 19 -8.286 6.975 13.274 1.00 0.00 C ATOM 293 NZ LYS A 19 -7.377 6.338 12.281 1.00 0.00 N ATOM 0 H LYS A 19 -8.864 1.960 12.675 1.00 0.00 H new ATOM 0 HA LYS A 19 -10.028 2.682 15.157 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -7.997 3.626 13.875 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -9.118 4.445 12.806 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -10.098 5.682 14.737 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -9.052 4.817 15.847 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -7.968 6.941 15.414 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -7.045 5.735 14.540 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -9.330 6.878 12.974 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -8.080 8.041 13.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -6.587 6.981 12.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -7.006 5.448 12.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -7.903 6.140 11.406 1.00 0.00 H new ATOM 307 N ASP A 20 -11.798 3.705 12.594 1.00 0.00 N ATOM 308 CA ASP A 20 -13.149 4.228 12.243 1.00 0.00 C ATOM 309 C ASP A 20 -13.585 3.658 10.892 1.00 0.00 C ATOM 310 O ASP A 20 -12.774 3.427 10.017 1.00 0.00 O ATOM 311 CB ASP A 20 -12.982 5.745 12.160 1.00 0.00 C ATOM 312 CG ASP A 20 -11.843 6.079 11.195 1.00 0.00 C ATOM 313 OD1 ASP A 20 -11.296 5.157 10.614 1.00 0.00 O ATOM 314 OD2 ASP A 20 -11.536 7.252 11.055 1.00 0.00 O ATOM 0 H ASP A 20 -11.198 3.492 11.797 1.00 0.00 H new ATOM 0 HA ASP A 20 -13.909 3.948 12.973 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -13.909 6.206 11.819 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -12.768 6.153 13.148 1.00 0.00 H new ATOM 319 N LEU A 21 -14.855 3.420 10.714 1.00 0.00 N ATOM 320 CA LEU A 21 -15.324 2.856 9.415 1.00 0.00 C ATOM 321 C LEU A 21 -15.968 3.943 8.553 1.00 0.00 C ATOM 322 O LEU A 21 -16.871 4.637 8.978 1.00 0.00 O ATOM 323 CB LEU A 21 -16.353 1.791 9.792 1.00 0.00 C ATOM 324 CG LEU A 21 -16.595 0.875 8.590 1.00 0.00 C ATOM 325 CD1 LEU A 21 -15.374 -0.023 8.376 1.00 0.00 C ATOM 326 CD2 LEU A 21 -17.825 0.007 8.854 1.00 0.00 C ATOM 0 H LEU A 21 -15.585 3.590 11.406 1.00 0.00 H new ATOM 0 HA LEU A 21 -14.502 2.443 8.831 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -15.996 1.209 10.642 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -17.287 2.263 10.098 1.00 0.00 H new ATOM 0 HG LEU A 21 -16.759 1.481 7.699 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -15.547 -0.675 7.520 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -14.496 0.595 8.189 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -15.208 -0.630 9.266 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -17.999 -0.646 7.999 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -17.659 -0.598 9.745 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -18.695 0.646 9.006 1.00 0.00 H new ATOM 518 N ARG A 33 -2.512 0.957 0.972 1.00 0.00 N ATOM 519 CA ARG A 33 -2.311 0.806 2.441 1.00 0.00 C ATOM 520 C ARG A 33 -0.844 0.488 2.751 1.00 0.00 C ATOM 521 O ARG A 33 -0.394 -0.629 2.590 1.00 0.00 O ATOM 522 CB ARG A 33 -3.213 -0.362 2.843 1.00 0.00 C ATOM 523 CG ARG A 33 -4.623 -0.123 2.299 1.00 0.00 C ATOM 524 CD ARG A 33 -5.314 0.960 3.130 1.00 0.00 C ATOM 525 NE ARG A 33 -6.492 1.374 2.316 1.00 0.00 N ATOM 526 CZ ARG A 33 -7.314 0.473 1.851 1.00 0.00 C ATOM 527 NH1 ARG A 33 -7.615 -0.572 2.574 1.00 0.00 N ATOM 528 NH2 ARG A 33 -7.832 0.614 0.662 1.00 0.00 N ATOM 0 HA ARG A 33 -2.555 1.718 2.987 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -2.813 -1.297 2.451 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -3.241 -0.458 3.928 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -4.574 0.182 1.254 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -5.200 -1.047 2.335 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -5.621 0.576 4.103 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -4.647 1.802 3.316 1.00 0.00 H new ATOM 0 HE ARG A 33 -6.656 2.362 2.122 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -7.208 -0.684 3.502 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -8.257 -1.276 2.210 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -7.595 1.428 0.096 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -8.474 -0.090 0.299 1.00 0.00 H new ATOM 542 N ASN A 34 -0.099 1.463 3.197 1.00 0.00 N ATOM 543 CA ASN A 34 1.338 1.219 3.521 1.00 0.00 C ATOM 544 C ASN A 34 2.021 2.528 3.926 1.00 0.00 C ATOM 545 O ASN A 34 3.031 2.910 3.368 1.00 0.00 O ATOM 546 CB ASN A 34 1.952 0.671 2.233 1.00 0.00 C ATOM 547 CG ASN A 34 1.562 1.570 1.058 1.00 0.00 C ATOM 548 OD1 ASN A 34 0.823 2.521 1.223 1.00 0.00 O ATOM 549 ND2 ASN A 34 2.029 1.307 -0.131 1.00 0.00 N ATOM 0 H ASN A 34 -0.422 2.418 3.351 1.00 0.00 H new ATOM 0 HA ASN A 34 1.458 0.527 4.355 1.00 0.00 H new ATOM 0 HB2 ASN A 34 3.037 0.626 2.326 1.00 0.00 H new ATOM 0 HB3 ASN A 34 1.605 -0.347 2.057 1.00 0.00 H new ATOM 0 HD21 ASN A 34 1.774 1.899 -0.921 1.00 0.00 H new ATOM 0 HD22 ASN A 34 2.649 0.509 -0.270 1.00 0.00 H new ATOM 619 N PRO A 39 0.812 3.438 16.107 1.00 0.00 N ATOM 620 CA PRO A 39 0.467 2.511 17.210 1.00 0.00 C ATOM 621 C PRO A 39 0.240 3.282 18.515 1.00 0.00 C ATOM 622 O PRO A 39 0.841 4.311 18.752 1.00 0.00 O ATOM 623 CB PRO A 39 1.709 1.621 17.303 1.00 0.00 C ATOM 624 CG PRO A 39 2.725 2.076 16.235 1.00 0.00 C ATOM 625 CD PRO A 39 2.119 3.239 15.437 1.00 0.00 C ATOM 0 HA PRO A 39 -0.452 1.950 17.038 1.00 0.00 H new ATOM 0 HB2 PRO A 39 2.150 1.690 18.298 1.00 0.00 H new ATOM 0 HB3 PRO A 39 1.438 0.577 17.146 1.00 0.00 H new ATOM 0 HG2 PRO A 39 3.656 2.388 16.709 1.00 0.00 H new ATOM 0 HG3 PRO A 39 2.968 1.248 15.569 1.00 0.00 H new ATOM 0 HD2 PRO A 39 2.741 4.133 15.486 1.00 0.00 H new ATOM 0 HD3 PRO A 39 2.001 2.990 14.382 1.00 0.00 H new ATOM 633 N GLY A 40 -0.622 2.789 19.364 1.00 0.00 N ATOM 634 CA GLY A 40 -0.883 3.491 20.651 1.00 0.00 C ATOM 635 C GLY A 40 -2.391 3.673 20.849 1.00 0.00 C ATOM 636 O GLY A 40 -2.825 4.409 21.714 1.00 0.00 O ATOM 0 H GLY A 40 -1.155 1.931 19.221 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -0.465 2.918 21.479 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -0.387 4.462 20.653 1.00 0.00 H new ATOM 640 N GLU A 41 -3.195 3.013 20.059 1.00 0.00 N ATOM 641 CA GLU A 41 -4.671 3.159 20.214 1.00 0.00 C ATOM 642 C GLU A 41 -5.304 1.802 20.542 1.00 0.00 C ATOM 643 O GLU A 41 -5.880 1.164 19.685 1.00 0.00 O ATOM 644 CB GLU A 41 -5.165 3.668 18.860 1.00 0.00 C ATOM 645 CG GLU A 41 -4.625 2.769 17.747 1.00 0.00 C ATOM 646 CD GLU A 41 -5.507 2.906 16.505 1.00 0.00 C ATOM 647 OE1 GLU A 41 -6.704 3.077 16.668 1.00 0.00 O ATOM 648 OE2 GLU A 41 -4.972 2.836 15.410 1.00 0.00 O ATOM 0 H GLU A 41 -2.895 2.382 19.316 1.00 0.00 H new ATOM 0 HA GLU A 41 -4.936 3.838 21.024 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -6.255 3.676 18.839 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -4.836 4.695 18.704 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -3.598 3.045 17.509 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -4.607 1.731 18.080 1.00 0.00 H new ATOM 655 N PRO A 42 -5.172 1.408 21.781 1.00 0.00 N ATOM 656 CA PRO A 42 -5.729 0.114 22.239 1.00 0.00 C ATOM 657 C PRO A 42 -7.245 0.071 22.023 1.00 0.00 C ATOM 658 O PRO A 42 -7.933 1.062 22.176 1.00 0.00 O ATOM 659 CB PRO A 42 -5.383 0.108 23.731 1.00 0.00 C ATOM 660 CG PRO A 42 -4.630 1.409 24.069 1.00 0.00 C ATOM 661 CD PRO A 42 -4.464 2.235 22.786 1.00 0.00 C ATOM 0 HA PRO A 42 -5.332 -0.748 21.702 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -6.291 0.031 24.329 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -4.767 -0.758 23.973 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -5.181 1.980 24.816 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -3.655 1.179 24.498 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -4.907 3.226 22.881 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -3.415 2.378 22.528 1.00 0.00 H new ATOM 669 N VAL A 43 -7.769 -1.070 21.667 1.00 0.00 N ATOM 670 CA VAL A 43 -9.238 -1.177 21.439 1.00 0.00 C ATOM 671 C VAL A 43 -9.842 -2.240 22.361 1.00 0.00 C ATOM 672 O VAL A 43 -9.216 -2.695 23.296 1.00 0.00 O ATOM 673 CB VAL A 43 -9.379 -1.593 19.975 1.00 0.00 C ATOM 674 CG1 VAL A 43 -8.667 -0.575 19.084 1.00 0.00 C ATOM 675 CG2 VAL A 43 -8.751 -2.974 19.772 1.00 0.00 C ATOM 0 H VAL A 43 -7.244 -1.932 21.524 1.00 0.00 H new ATOM 0 HA VAL A 43 -9.759 -0.243 21.651 1.00 0.00 H new ATOM 0 HB VAL A 43 -10.436 -1.632 19.710 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -8.768 -0.872 18.040 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -9.114 0.409 19.226 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -7.611 -0.535 19.350 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -8.852 -3.270 18.728 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -7.695 -2.936 20.038 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -9.259 -3.701 20.406 1.00 0.00 H new ATOM 685 N VAL A 44 -11.057 -2.633 22.100 1.00 0.00 N ATOM 686 CA VAL A 44 -11.712 -3.664 22.956 1.00 0.00 C ATOM 687 C VAL A 44 -11.863 -3.153 24.394 1.00 0.00 C ATOM 688 O VAL A 44 -11.437 -3.805 25.327 1.00 0.00 O ATOM 689 CB VAL A 44 -10.773 -4.870 22.913 1.00 0.00 C ATOM 690 CG1 VAL A 44 -11.478 -6.091 23.508 1.00 0.00 C ATOM 691 CG2 VAL A 44 -10.388 -5.161 21.462 1.00 0.00 C ATOM 0 H VAL A 44 -11.627 -2.285 21.329 1.00 0.00 H new ATOM 0 HA VAL A 44 -12.713 -3.911 22.604 1.00 0.00 H new ATOM 0 HB VAL A 44 -9.876 -4.653 23.493 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -10.807 -6.950 23.477 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -11.754 -5.884 24.542 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -12.376 -6.310 22.930 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -9.718 -6.020 21.429 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -11.286 -5.378 20.884 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -9.885 -4.292 21.038 1.00 0.00 H new ATOM 753 N CYS A 48 -15.193 -5.764 21.767 1.00 0.00 N ATOM 754 CA CYS A 48 -14.929 -5.362 20.352 1.00 0.00 C ATOM 755 C CYS A 48 -15.303 -3.893 20.126 1.00 0.00 C ATOM 756 O CYS A 48 -16.460 -3.528 20.117 1.00 0.00 O ATOM 757 CB CYS A 48 -15.815 -6.281 19.511 1.00 0.00 C ATOM 758 SG CYS A 48 -15.298 -7.999 19.756 1.00 0.00 S ATOM 0 HA CYS A 48 -13.875 -5.455 20.089 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -16.860 -6.159 19.797 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -15.740 -6.013 18.457 1.00 0.00 H new ATOM 763 N SER A 49 -14.325 -3.049 19.939 1.00 0.00 N ATOM 764 CA SER A 49 -14.620 -1.605 19.712 1.00 0.00 C ATOM 765 C SER A 49 -15.488 -1.426 18.464 1.00 0.00 C ATOM 766 O SER A 49 -16.698 -1.376 18.542 1.00 0.00 O ATOM 767 CB SER A 49 -13.255 -0.946 19.511 1.00 0.00 C ATOM 768 OG SER A 49 -12.622 -1.503 18.369 1.00 0.00 O ATOM 0 H SER A 49 -13.335 -3.296 19.934 1.00 0.00 H new ATOM 0 HA SER A 49 -15.169 -1.164 20.545 1.00 0.00 H new ATOM 0 HB2 SER A 49 -13.374 0.130 19.385 1.00 0.00 H new ATOM 0 HB3 SER A 49 -12.633 -1.097 20.394 1.00 0.00 H new ATOM 0 HG SER A 49 -12.266 -0.782 17.808 1.00 0.00 H new ATOM 774 N ASN A 50 -14.878 -1.327 17.315 1.00 0.00 N ATOM 775 CA ASN A 50 -15.663 -1.145 16.062 1.00 0.00 C ATOM 776 C ASN A 50 -16.507 -2.388 15.767 1.00 0.00 C ATOM 777 O ASN A 50 -15.974 -3.436 15.460 1.00 0.00 O ATOM 778 CB ASN A 50 -14.611 -0.955 14.970 1.00 0.00 C ATOM 779 CG ASN A 50 -14.416 0.536 14.704 1.00 0.00 C ATOM 780 OD1 ASN A 50 -13.437 1.119 15.127 1.00 0.00 O ATOM 781 ND2 ASN A 50 -15.312 1.183 14.015 1.00 0.00 N ATOM 0 H ASN A 50 -13.866 -1.364 17.190 1.00 0.00 H new ATOM 0 HA ASN A 50 -16.353 -0.304 16.131 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -13.668 -1.407 15.277 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -14.924 -1.460 14.056 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -15.192 2.179 13.830 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -16.134 0.694 13.660 1.00 0.00 H new ATOM 788 N PRO A 51 -17.803 -2.230 15.852 1.00 0.00 N ATOM 789 CA PRO A 51 -18.724 -3.354 15.571 1.00 0.00 C ATOM 790 C PRO A 51 -18.622 -3.749 14.095 1.00 0.00 C ATOM 791 O PRO A 51 -19.195 -4.728 13.660 1.00 0.00 O ATOM 792 CB PRO A 51 -20.096 -2.752 15.884 1.00 0.00 C ATOM 793 CG PRO A 51 -19.902 -1.289 16.335 1.00 0.00 C ATOM 794 CD PRO A 51 -18.413 -0.935 16.233 1.00 0.00 C ATOM 0 HA PRO A 51 -18.515 -4.256 16.145 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -20.737 -2.794 15.004 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -20.591 -3.326 16.667 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -20.493 -0.620 15.710 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -20.252 -1.160 17.359 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -18.229 -0.164 15.485 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -18.018 -0.563 17.178 1.00 0.00 H new ATOM 802 N ASN A 52 -17.896 -2.984 13.324 1.00 0.00 N ATOM 803 CA ASN A 52 -17.750 -3.299 11.876 1.00 0.00 C ATOM 804 C ASN A 52 -16.268 -3.410 11.501 1.00 0.00 C ATOM 805 O ASN A 52 -15.890 -3.211 10.363 1.00 0.00 O ATOM 806 CB ASN A 52 -18.399 -2.117 11.155 1.00 0.00 C ATOM 807 CG ASN A 52 -17.628 -0.838 11.486 1.00 0.00 C ATOM 808 OD1 ASN A 52 -16.414 -0.819 11.440 1.00 0.00 O ATOM 809 ND2 ASN A 52 -18.285 0.238 11.822 1.00 0.00 N ATOM 0 H ASN A 52 -17.397 -2.152 13.637 1.00 0.00 H new ATOM 0 HA ASN A 52 -18.213 -4.249 11.609 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -18.398 -2.288 10.078 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -19.440 -2.017 11.461 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -17.779 1.095 12.046 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -19.304 0.222 11.861 1.00 0.00 H new ATOM 816 N PHE A 53 -15.429 -3.744 12.444 1.00 0.00 N ATOM 817 CA PHE A 53 -13.976 -3.886 12.128 1.00 0.00 C ATOM 818 C PHE A 53 -13.754 -5.240 11.458 1.00 0.00 C ATOM 819 O PHE A 53 -14.694 -5.987 11.275 1.00 0.00 O ATOM 820 CB PHE A 53 -13.249 -3.800 13.480 1.00 0.00 C ATOM 821 CG PHE A 53 -13.221 -5.155 14.157 1.00 0.00 C ATOM 822 CD1 PHE A 53 -14.382 -5.937 14.213 1.00 0.00 C ATOM 823 CD2 PHE A 53 -12.033 -5.624 14.740 1.00 0.00 C ATOM 824 CE1 PHE A 53 -14.355 -7.186 14.848 1.00 0.00 C ATOM 825 CE2 PHE A 53 -12.009 -6.875 15.374 1.00 0.00 C ATOM 826 CZ PHE A 53 -13.168 -7.653 15.428 1.00 0.00 C ATOM 0 H PHE A 53 -15.684 -3.924 13.415 1.00 0.00 H new ATOM 0 HA PHE A 53 -13.606 -3.119 11.448 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -12.231 -3.442 13.329 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -13.750 -3.076 14.123 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -15.298 -5.577 13.767 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -11.138 -5.022 14.700 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -15.250 -7.789 14.890 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -11.095 -7.237 15.820 1.00 0.00 H new ATOM 0 HZ PHE A 53 -13.149 -8.616 15.917 1.00 0.00 H new ATOM 836 N PRO A 54 -12.528 -5.529 11.110 1.00 0.00 N ATOM 837 CA PRO A 54 -12.228 -6.820 10.463 1.00 0.00 C ATOM 838 C PRO A 54 -12.681 -7.952 11.384 1.00 0.00 C ATOM 839 O PRO A 54 -11.889 -8.584 12.053 1.00 0.00 O ATOM 840 CB PRO A 54 -10.706 -6.771 10.302 1.00 0.00 C ATOM 841 CG PRO A 54 -10.194 -5.427 10.857 1.00 0.00 C ATOM 842 CD PRO A 54 -11.396 -4.604 11.346 1.00 0.00 C ATOM 0 HA PRO A 54 -12.731 -6.989 9.511 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -10.243 -7.601 10.835 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -10.433 -6.875 9.252 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -9.495 -5.598 11.676 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -9.652 -4.881 10.085 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -11.303 -4.335 12.398 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -11.507 -3.675 10.787 1.00 0.00 H new ATOM 850 N GLU A 55 -13.965 -8.187 11.436 1.00 0.00 N ATOM 851 CA GLU A 55 -14.503 -9.249 12.331 1.00 0.00 C ATOM 852 C GLU A 55 -13.577 -10.464 12.319 1.00 0.00 C ATOM 853 O GLU A 55 -13.488 -11.192 13.288 1.00 0.00 O ATOM 854 CB GLU A 55 -15.873 -9.588 11.751 1.00 0.00 C ATOM 855 CG GLU A 55 -16.563 -10.621 12.644 1.00 0.00 C ATOM 856 CD GLU A 55 -17.895 -11.030 12.013 1.00 0.00 C ATOM 857 OE1 GLU A 55 -18.182 -10.560 10.924 1.00 0.00 O ATOM 858 OE2 GLU A 55 -18.607 -11.806 12.629 1.00 0.00 O ATOM 0 H GLU A 55 -14.667 -7.685 10.893 1.00 0.00 H new ATOM 0 HA GLU A 55 -14.576 -8.929 13.370 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -16.483 -8.687 11.680 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -15.765 -9.980 10.740 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -15.924 -11.495 12.769 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -16.731 -10.205 13.637 1.00 0.00 H new ATOM 865 N GLU A 56 -12.862 -10.676 11.251 1.00 0.00 N ATOM 866 CA GLU A 56 -11.923 -11.830 11.219 1.00 0.00 C ATOM 867 C GLU A 56 -11.019 -11.763 12.453 1.00 0.00 C ATOM 868 O GLU A 56 -10.404 -12.735 12.843 1.00 0.00 O ATOM 869 CB GLU A 56 -11.112 -11.651 9.936 1.00 0.00 C ATOM 870 CG GLU A 56 -12.036 -11.797 8.726 1.00 0.00 C ATOM 871 CD GLU A 56 -11.210 -11.721 7.441 1.00 0.00 C ATOM 872 OE1 GLU A 56 -10.032 -11.418 7.535 1.00 0.00 O ATOM 873 OE2 GLU A 56 -11.770 -11.968 6.385 1.00 0.00 O ATOM 0 H GLU A 56 -12.886 -10.106 10.406 1.00 0.00 H new ATOM 0 HA GLU A 56 -12.428 -12.796 11.231 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -10.636 -10.671 9.928 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -10.315 -12.393 9.890 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -12.567 -12.747 8.774 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -12.790 -11.010 8.734 1.00 0.00 H new ATOM 880 N LEU A 57 -10.950 -10.613 13.076 1.00 0.00 N ATOM 881 CA LEU A 57 -10.105 -10.464 14.295 1.00 0.00 C ATOM 882 C LEU A 57 -10.930 -10.804 15.539 1.00 0.00 C ATOM 883 O LEU A 57 -10.498 -10.604 16.659 1.00 0.00 O ATOM 884 CB LEU A 57 -9.693 -8.991 14.323 1.00 0.00 C ATOM 885 CG LEU A 57 -9.076 -8.601 12.981 1.00 0.00 C ATOM 886 CD1 LEU A 57 -8.520 -7.179 13.070 1.00 0.00 C ATOM 887 CD2 LEU A 57 -7.946 -9.569 12.638 1.00 0.00 C ATOM 0 H LEU A 57 -11.446 -9.769 12.790 1.00 0.00 H new ATOM 0 HA LEU A 57 -9.240 -11.127 14.281 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -10.561 -8.365 14.530 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -8.977 -8.819 15.127 1.00 0.00 H new ATOM 0 HG LEU A 57 -9.839 -8.645 12.204 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -8.080 -6.900 12.113 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -9.327 -6.488 13.314 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -7.757 -7.135 13.847 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -7.506 -9.290 11.680 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -7.182 -9.526 13.414 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -8.342 -10.583 12.574 1.00 0.00 H new ATOM 899 N LYS A 58 -12.121 -11.315 15.350 1.00 0.00 N ATOM 900 CA LYS A 58 -12.977 -11.667 16.517 1.00 0.00 C ATOM 901 C LYS A 58 -12.134 -12.287 17.630 1.00 0.00 C ATOM 902 O LYS A 58 -12.212 -11.863 18.768 1.00 0.00 O ATOM 903 CB LYS A 58 -13.985 -12.684 15.980 1.00 0.00 C ATOM 904 CG LYS A 58 -15.392 -12.299 16.439 1.00 0.00 C ATOM 905 CD LYS A 58 -16.366 -13.430 16.101 1.00 0.00 C ATOM 906 CE LYS A 58 -17.493 -13.459 17.137 1.00 0.00 C ATOM 907 NZ LYS A 58 -17.549 -14.874 17.598 1.00 0.00 N ATOM 0 H LYS A 58 -12.535 -11.502 14.437 1.00 0.00 H new ATOM 0 HA LYS A 58 -13.467 -10.792 16.943 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -13.942 -12.715 14.891 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -13.735 -13.683 16.337 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -15.397 -12.109 17.512 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -15.706 -11.376 15.951 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -16.779 -13.283 15.103 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -15.842 -14.385 16.091 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -17.287 -12.781 17.965 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -18.441 -13.148 16.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -18.299 -14.977 18.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -17.753 -15.495 16.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -16.634 -15.139 18.016 1.00 0.00 H new ATOM 921 N PRO A 59 -11.342 -13.269 17.278 1.00 0.00 N ATOM 922 CA PRO A 59 -10.479 -13.927 18.277 1.00 0.00 C ATOM 923 C PRO A 59 -9.618 -12.885 18.993 1.00 0.00 C ATOM 924 O PRO A 59 -9.428 -12.947 20.192 1.00 0.00 O ATOM 925 CB PRO A 59 -9.635 -14.877 17.421 1.00 0.00 C ATOM 926 CG PRO A 59 -10.069 -14.729 15.949 1.00 0.00 C ATOM 927 CD PRO A 59 -11.263 -13.769 15.882 1.00 0.00 C ATOM 0 HA PRO A 59 -11.022 -14.448 19.066 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -8.576 -14.643 17.529 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -9.769 -15.906 17.753 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -9.243 -14.347 15.348 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -10.342 -15.700 15.536 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -11.097 -12.961 15.169 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -12.178 -14.278 15.579 1.00 0.00 H new ATOM 935 N LEU A 60 -9.096 -11.924 18.275 1.00 0.00 N ATOM 936 CA LEU A 60 -8.254 -10.888 18.929 1.00 0.00 C ATOM 937 C LEU A 60 -9.063 -10.148 19.997 1.00 0.00 C ATOM 938 O LEU A 60 -8.577 -9.873 21.079 1.00 0.00 O ATOM 939 CB LEU A 60 -7.859 -9.938 17.799 1.00 0.00 C ATOM 940 CG LEU A 60 -6.889 -10.650 16.855 1.00 0.00 C ATOM 941 CD1 LEU A 60 -6.359 -9.654 15.821 1.00 0.00 C ATOM 942 CD2 LEU A 60 -5.722 -11.220 17.660 1.00 0.00 C ATOM 0 H LEU A 60 -9.218 -11.815 17.268 1.00 0.00 H new ATOM 0 HA LEU A 60 -7.384 -11.313 19.430 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -8.746 -9.616 17.253 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -7.394 -9.041 18.208 1.00 0.00 H new ATOM 0 HG LEU A 60 -7.408 -11.461 16.344 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -5.668 -10.161 15.148 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -7.192 -9.248 15.247 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -5.840 -8.842 16.331 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -5.030 -11.728 16.988 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -5.202 -10.410 18.171 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -6.100 -11.930 18.396 1.00 0.00 H new ATOM 954 N CYS A 61 -10.298 -9.833 19.713 1.00 0.00 N ATOM 955 CA CYS A 61 -11.131 -9.117 20.720 1.00 0.00 C ATOM 956 C CYS A 61 -11.448 -10.040 21.900 1.00 0.00 C ATOM 957 O CYS A 61 -11.603 -9.599 23.021 1.00 0.00 O ATOM 958 CB CYS A 61 -12.410 -8.739 19.969 1.00 0.00 C ATOM 959 SG CYS A 61 -13.721 -8.341 21.153 1.00 0.00 S ATOM 0 H CYS A 61 -10.764 -10.040 18.830 1.00 0.00 H new ATOM 0 HA CYS A 61 -10.626 -8.244 21.133 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -12.222 -7.884 19.319 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -12.724 -9.563 19.328 1.00 0.00 H new ATOM 964 N LYS A 62 -11.553 -11.317 21.654 1.00 0.00 N ATOM 965 CA LYS A 62 -11.872 -12.264 22.761 1.00 0.00 C ATOM 966 C LYS A 62 -10.616 -12.579 23.578 1.00 0.00 C ATOM 967 O LYS A 62 -10.644 -13.390 24.483 1.00 0.00 O ATOM 968 CB LYS A 62 -12.389 -13.522 22.065 1.00 0.00 C ATOM 969 CG LYS A 62 -13.709 -13.206 21.360 1.00 0.00 C ATOM 970 CD LYS A 62 -14.257 -14.477 20.709 1.00 0.00 C ATOM 971 CE LYS A 62 -14.649 -15.480 21.795 1.00 0.00 C ATOM 972 NZ LYS A 62 -15.938 -16.063 21.327 1.00 0.00 N ATOM 0 H LYS A 62 -11.432 -11.746 20.736 1.00 0.00 H new ATOM 0 HA LYS A 62 -12.602 -11.851 23.457 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -11.655 -13.879 21.343 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -12.535 -14.320 22.793 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -14.430 -12.811 22.076 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -13.555 -12.435 20.605 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -15.122 -14.237 20.091 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -13.506 -14.913 20.050 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -13.887 -16.250 21.916 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -14.764 -14.991 22.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -16.274 -16.763 22.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -16.645 -15.307 21.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -15.795 -16.527 20.407 1.00 0.00 H new ATOM 986 N GLU A 63 -9.516 -11.941 23.278 1.00 0.00 N ATOM 987 CA GLU A 63 -8.272 -12.213 24.058 1.00 0.00 C ATOM 988 C GLU A 63 -7.726 -10.910 24.651 1.00 0.00 C ATOM 989 O GLU A 63 -7.719 -9.888 23.994 1.00 0.00 O ATOM 990 CB GLU A 63 -7.285 -12.805 23.051 1.00 0.00 C ATOM 991 CG GLU A 63 -7.124 -11.851 21.867 1.00 0.00 C ATOM 992 CD GLU A 63 -5.947 -12.308 21.004 1.00 0.00 C ATOM 993 OE1 GLU A 63 -4.820 -12.036 21.384 1.00 0.00 O ATOM 994 OE2 GLU A 63 -6.192 -12.925 19.981 1.00 0.00 O ATOM 0 H GLU A 63 -9.424 -11.249 22.534 1.00 0.00 H new ATOM 0 HA GLU A 63 -8.449 -12.892 24.892 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -6.320 -12.973 23.529 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -7.642 -13.774 22.704 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -8.038 -11.832 21.274 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -6.955 -10.835 22.224 1.00 0.00 H new ATOM 1001 N PRO A 64 -7.290 -10.986 25.882 1.00 0.00 N ATOM 1002 CA PRO A 64 -6.743 -9.795 26.575 1.00 0.00 C ATOM 1003 C PRO A 64 -5.515 -9.258 25.837 1.00 0.00 C ATOM 1004 O PRO A 64 -5.094 -8.138 26.048 1.00 0.00 O ATOM 1005 CB PRO A 64 -6.364 -10.350 27.950 1.00 0.00 C ATOM 1006 CG PRO A 64 -6.714 -11.850 27.993 1.00 0.00 C ATOM 1007 CD PRO A 64 -7.318 -12.257 26.642 1.00 0.00 C ATOM 0 HA PRO A 64 -7.441 -8.960 26.628 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -5.300 -10.205 28.135 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -6.900 -9.815 28.734 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -5.821 -12.440 28.200 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -7.421 -12.049 28.798 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -6.732 -13.035 26.153 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -8.332 -12.643 26.750 1.00 0.00 H new ATOM 1015 N ASN A 65 -4.937 -10.044 24.971 1.00 0.00 N ATOM 1016 CA ASN A 65 -3.738 -9.570 24.224 1.00 0.00 C ATOM 1017 C ASN A 65 -4.167 -8.675 23.057 1.00 0.00 C ATOM 1018 O ASN A 65 -3.349 -8.056 22.405 1.00 0.00 O ATOM 1019 CB ASN A 65 -3.061 -10.840 23.707 1.00 0.00 C ATOM 1020 CG ASN A 65 -2.742 -11.765 24.883 1.00 0.00 C ATOM 1021 OD1 ASN A 65 -2.966 -12.957 24.812 1.00 0.00 O ATOM 1022 ND2 ASN A 65 -2.224 -11.262 25.970 1.00 0.00 N ATOM 0 H ASN A 65 -5.242 -10.992 24.749 1.00 0.00 H new ATOM 0 HA ASN A 65 -3.067 -8.980 24.849 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -3.713 -11.349 22.997 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -2.146 -10.585 23.173 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -2.007 -11.870 26.760 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -2.036 -10.261 26.030 1.00 0.00 H new ATOM 1029 N ALA A 66 -5.443 -8.598 22.790 1.00 0.00 N ATOM 1030 CA ALA A 66 -5.917 -7.739 21.667 1.00 0.00 C ATOM 1031 C ALA A 66 -5.322 -6.337 21.800 1.00 0.00 C ATOM 1032 O ALA A 66 -5.019 -5.685 20.822 1.00 0.00 O ATOM 1033 CB ALA A 66 -7.439 -7.693 21.810 1.00 0.00 C ATOM 0 H ALA A 66 -6.176 -9.091 23.300 1.00 0.00 H new ATOM 0 HA ALA A 66 -5.617 -8.126 20.693 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -7.861 -7.077 21.016 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -7.842 -8.703 21.738 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -7.701 -7.266 22.778 1.00 0.00 H new ATOM 1039 N GLN A 67 -5.148 -5.872 23.007 1.00 0.00 N ATOM 1040 CA GLN A 67 -4.565 -4.515 23.204 1.00 0.00 C ATOM 1041 C GLN A 67 -3.141 -4.480 22.646 1.00 0.00 C ATOM 1042 O GLN A 67 -2.721 -3.510 22.047 1.00 0.00 O ATOM 1043 CB GLN A 67 -4.557 -4.300 24.717 1.00 0.00 C ATOM 1044 CG GLN A 67 -5.999 -4.251 25.231 1.00 0.00 C ATOM 1045 CD GLN A 67 -6.006 -3.885 26.718 1.00 0.00 C ATOM 1046 OE1 GLN A 67 -7.055 -3.706 27.304 1.00 0.00 O ATOM 1047 NE2 GLN A 67 -4.874 -3.765 27.358 1.00 0.00 N ATOM 0 H GLN A 67 -5.384 -6.372 23.864 1.00 0.00 H new ATOM 0 HA GLN A 67 -5.132 -3.738 22.691 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -4.012 -5.106 25.207 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -4.040 -3.372 24.961 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -6.573 -3.518 24.664 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -6.481 -5.217 25.082 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -3.992 -3.915 26.867 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -4.871 -3.521 28.348 1.00 0.00 H new ATOM 1056 N GLU A 68 -2.399 -5.539 22.826 1.00 0.00 N ATOM 1057 CA GLU A 68 -1.009 -5.575 22.291 1.00 0.00 C ATOM 1058 C GLU A 68 -1.044 -5.909 20.799 1.00 0.00 C ATOM 1059 O GLU A 68 -0.360 -5.303 19.998 1.00 0.00 O ATOM 1060 CB GLU A 68 -0.305 -6.681 23.079 1.00 0.00 C ATOM 1061 CG GLU A 68 -0.205 -6.272 24.550 1.00 0.00 C ATOM 1062 CD GLU A 68 0.565 -7.344 25.326 1.00 0.00 C ATOM 1063 OE1 GLU A 68 0.818 -8.391 24.756 1.00 0.00 O ATOM 1064 OE2 GLU A 68 0.887 -7.098 26.477 1.00 0.00 O ATOM 0 H GLU A 68 -2.696 -6.380 23.320 1.00 0.00 H new ATOM 0 HA GLU A 68 -0.493 -4.621 22.396 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -0.857 -7.616 22.987 1.00 0.00 H new ATOM 0 HB3 GLU A 68 0.690 -6.857 22.671 1.00 0.00 H new ATOM 0 HG2 GLU A 68 0.301 -5.310 24.638 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -1.202 -6.147 24.973 1.00 0.00 H new ATOM 1071 N ILE A 69 -1.850 -6.866 20.418 1.00 0.00 N ATOM 1072 CA ILE A 69 -1.942 -7.233 18.975 1.00 0.00 C ATOM 1073 C ILE A 69 -2.467 -6.040 18.176 1.00 0.00 C ATOM 1074 O ILE A 69 -2.022 -5.766 17.079 1.00 0.00 O ATOM 1075 CB ILE A 69 -2.947 -8.384 18.913 1.00 0.00 C ATOM 1076 CG1 ILE A 69 -2.431 -9.571 19.727 1.00 0.00 C ATOM 1077 CG2 ILE A 69 -3.137 -8.810 17.456 1.00 0.00 C ATOM 1078 CD1 ILE A 69 -3.454 -10.710 19.667 1.00 0.00 C ATOM 0 H ILE A 69 -2.447 -7.408 21.043 1.00 0.00 H new ATOM 0 HA ILE A 69 -0.975 -7.515 18.559 1.00 0.00 H new ATOM 0 HB ILE A 69 -3.899 -8.054 19.328 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -1.472 -9.907 19.333 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -2.263 -9.272 20.762 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -3.853 -9.631 17.407 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -3.512 -7.967 16.876 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -2.182 -9.137 17.045 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -3.089 -11.558 20.247 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -4.403 -10.369 20.081 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -3.599 -11.015 18.631 1.00 0.00 H new ATOM 1090 N LEU A 70 -3.420 -5.337 18.722 1.00 0.00 N ATOM 1091 CA LEU A 70 -3.994 -4.162 18.008 1.00 0.00 C ATOM 1092 C LEU A 70 -2.880 -3.275 17.447 1.00 0.00 C ATOM 1093 O LEU A 70 -2.726 -3.145 16.250 1.00 0.00 O ATOM 1094 CB LEU A 70 -4.797 -3.412 19.075 1.00 0.00 C ATOM 1095 CG LEU A 70 -5.264 -2.061 18.522 1.00 0.00 C ATOM 1096 CD1 LEU A 70 -4.127 -1.044 18.631 1.00 0.00 C ATOM 1097 CD2 LEU A 70 -5.669 -2.215 17.054 1.00 0.00 C ATOM 0 H LEU A 70 -3.828 -5.527 19.637 1.00 0.00 H new ATOM 0 HA LEU A 70 -4.611 -4.456 17.159 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -5.658 -4.007 19.380 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -4.184 -3.259 19.963 1.00 0.00 H new ATOM 0 HG LEU A 70 -6.121 -1.714 19.099 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -4.459 -0.083 18.238 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -3.841 -0.929 19.676 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -3.269 -1.394 18.057 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -6.000 -1.252 16.665 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -4.814 -2.565 16.476 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -6.481 -2.937 16.975 1.00 0.00 H new ATOM 1109 N GLN A 71 -2.100 -2.663 18.296 1.00 0.00 N ATOM 1110 CA GLN A 71 -1.004 -1.784 17.797 1.00 0.00 C ATOM 1111 C GLN A 71 -0.227 -2.483 16.681 1.00 0.00 C ATOM 1112 O GLN A 71 -0.057 -1.950 15.602 1.00 0.00 O ATOM 1113 CB GLN A 71 -0.104 -1.544 19.009 1.00 0.00 C ATOM 1114 CG GLN A 71 -0.889 -0.797 20.089 1.00 0.00 C ATOM 1115 CD GLN A 71 0.007 -0.570 21.308 1.00 0.00 C ATOM 1116 OE1 GLN A 71 1.050 -1.181 21.430 1.00 0.00 O ATOM 1117 NE2 GLN A 71 -0.358 0.289 22.220 1.00 0.00 N ATOM 0 H GLN A 71 -2.174 -2.733 19.311 1.00 0.00 H new ATOM 0 HA GLN A 71 -1.383 -0.851 17.380 1.00 0.00 H new ATOM 0 HB2 GLN A 71 0.258 -2.495 19.400 1.00 0.00 H new ATOM 0 HB3 GLN A 71 0.772 -0.965 18.716 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -1.242 0.159 19.701 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -1.771 -1.371 20.375 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -1.234 0.801 22.117 1.00 0.00 H new ATOM 0 HE22 GLN A 71 0.233 0.448 23.036 1.00 0.00 H new ATOM 1126 N ARG A 72 0.249 -3.672 16.928 1.00 0.00 N ATOM 1127 CA ARG A 72 1.017 -4.397 15.876 1.00 0.00 C ATOM 1128 C ARG A 72 0.180 -4.507 14.602 1.00 0.00 C ATOM 1129 O ARG A 72 0.605 -4.116 13.531 1.00 0.00 O ATOM 1130 CB ARG A 72 1.287 -5.784 16.462 1.00 0.00 C ATOM 1131 CG ARG A 72 2.253 -6.543 15.549 1.00 0.00 C ATOM 1132 CD ARG A 72 3.679 -6.043 15.790 1.00 0.00 C ATOM 1133 NE ARG A 72 4.154 -6.802 16.980 1.00 0.00 N ATOM 1134 CZ ARG A 72 5.262 -6.455 17.574 1.00 0.00 C ATOM 1135 NH1 ARG A 72 5.441 -5.216 17.948 1.00 0.00 N ATOM 1136 NH2 ARG A 72 6.191 -7.345 17.793 1.00 0.00 N ATOM 0 H ARG A 72 0.140 -4.172 17.810 1.00 0.00 H new ATOM 0 HA ARG A 72 1.941 -3.884 15.610 1.00 0.00 H new ATOM 0 HB2 ARG A 72 1.711 -5.692 17.462 1.00 0.00 H new ATOM 0 HB3 ARG A 72 0.353 -6.337 16.561 1.00 0.00 H new ATOM 0 HG2 ARG A 72 2.193 -7.613 15.747 1.00 0.00 H new ATOM 0 HG3 ARG A 72 1.976 -6.396 14.505 1.00 0.00 H new ATOM 0 HD2 ARG A 72 4.314 -6.228 14.924 1.00 0.00 H new ATOM 0 HD3 ARG A 72 3.695 -4.969 15.974 1.00 0.00 H new ATOM 0 HE ARG A 72 3.613 -7.593 17.330 1.00 0.00 H new ATOM 0 HH11 ARG A 72 4.715 -4.521 17.775 1.00 0.00 H new ATOM 0 HH12 ARG A 72 6.307 -4.944 18.413 1.00 0.00 H new ATOM 0 HH21 ARG A 72 6.050 -8.312 17.500 1.00 0.00 H new ATOM 0 HH22 ARG A 72 7.058 -7.074 18.258 1.00 0.00 H new ATOM 1150 N LEU A 73 -1.006 -5.037 14.707 1.00 0.00 N ATOM 1151 CA LEU A 73 -1.868 -5.170 13.503 1.00 0.00 C ATOM 1152 C LEU A 73 -1.938 -3.833 12.760 1.00 0.00 C ATOM 1153 O LEU A 73 -1.663 -3.755 11.580 1.00 0.00 O ATOM 1154 CB LEU A 73 -3.243 -5.564 14.043 1.00 0.00 C ATOM 1155 CG LEU A 73 -4.106 -6.102 12.902 1.00 0.00 C ATOM 1156 CD1 LEU A 73 -3.286 -7.076 12.052 1.00 0.00 C ATOM 1157 CD2 LEU A 73 -5.321 -6.830 13.481 1.00 0.00 C ATOM 0 H LEU A 73 -1.415 -5.383 15.575 1.00 0.00 H new ATOM 0 HA LEU A 73 -1.487 -5.906 12.795 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -3.137 -6.321 14.820 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -3.726 -4.701 14.502 1.00 0.00 H new ATOM 0 HG LEU A 73 -4.440 -5.272 12.280 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -3.903 -7.458 11.239 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -2.421 -6.558 11.638 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -2.949 -7.906 12.673 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -5.937 -7.214 12.668 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -4.986 -7.659 14.104 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -5.907 -6.137 14.084 1.00 0.00 H new ATOM 1169 N GLU A 74 -2.298 -2.779 13.442 1.00 0.00 N ATOM 1170 CA GLU A 74 -2.371 -1.450 12.769 1.00 0.00 C ATOM 1171 C GLU A 74 -1.069 -1.174 12.014 1.00 0.00 C ATOM 1172 O GLU A 74 -1.078 -0.732 10.882 1.00 0.00 O ATOM 1173 CB GLU A 74 -2.555 -0.437 13.899 1.00 0.00 C ATOM 1174 CG GLU A 74 -3.819 -0.773 14.691 1.00 0.00 C ATOM 1175 CD GLU A 74 -4.079 0.326 15.724 1.00 0.00 C ATOM 1176 OE1 GLU A 74 -3.171 1.098 15.980 1.00 0.00 O ATOM 1177 OE2 GLU A 74 -5.184 0.377 16.239 1.00 0.00 O ATOM 0 H GLU A 74 -2.544 -2.780 14.432 1.00 0.00 H new ATOM 0 HA GLU A 74 -3.183 -1.400 12.043 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -1.687 -0.451 14.558 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -2.628 0.570 13.489 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -4.671 -0.862 14.017 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -3.704 -1.736 15.189 1.00 0.00 H new ATOM 1184 N GLU A 75 0.054 -1.428 12.633 1.00 0.00 N ATOM 1185 CA GLU A 75 1.354 -1.178 11.948 1.00 0.00 C ATOM 1186 C GLU A 75 1.387 -1.904 10.603 1.00 0.00 C ATOM 1187 O GLU A 75 1.645 -1.313 9.572 1.00 0.00 O ATOM 1188 CB GLU A 75 2.416 -1.745 12.888 1.00 0.00 C ATOM 1189 CG GLU A 75 2.501 -0.879 14.147 1.00 0.00 C ATOM 1190 CD GLU A 75 3.628 -1.396 15.043 1.00 0.00 C ATOM 1191 OE1 GLU A 75 4.185 -2.434 14.723 1.00 0.00 O ATOM 1192 OE2 GLU A 75 3.915 -0.746 16.036 1.00 0.00 O ATOM 0 H GLU A 75 0.126 -1.797 13.581 1.00 0.00 H new ATOM 0 HA GLU A 75 1.516 -0.120 11.744 1.00 0.00 H new ATOM 0 HB2 GLU A 75 2.168 -2.772 13.157 1.00 0.00 H new ATOM 0 HB3 GLU A 75 3.383 -1.772 12.387 1.00 0.00 H new ATOM 0 HG2 GLU A 75 2.685 0.160 13.875 1.00 0.00 H new ATOM 0 HG3 GLU A 75 1.553 -0.905 14.684 1.00 0.00 H new ATOM 1199 N ILE A 76 1.125 -3.183 10.601 1.00 0.00 N ATOM 1200 CA ILE A 76 1.141 -3.941 9.317 1.00 0.00 C ATOM 1201 C ILE A 76 0.088 -3.373 8.363 1.00 0.00 C ATOM 1202 O ILE A 76 0.303 -3.281 7.171 1.00 0.00 O ATOM 1203 CB ILE A 76 0.803 -5.382 9.698 1.00 0.00 C ATOM 1204 CG1 ILE A 76 1.884 -5.926 10.638 1.00 0.00 C ATOM 1205 CG2 ILE A 76 0.744 -6.241 8.432 1.00 0.00 C ATOM 1206 CD1 ILE A 76 1.823 -7.456 10.662 1.00 0.00 C ATOM 0 H ILE A 76 0.901 -3.734 11.430 1.00 0.00 H new ATOM 0 HA ILE A 76 2.103 -3.875 8.808 1.00 0.00 H new ATOM 0 HB ILE A 76 -0.163 -5.411 10.201 1.00 0.00 H new ATOM 0 HG12 ILE A 76 2.868 -5.597 10.305 1.00 0.00 H new ATOM 0 HG13 ILE A 76 1.738 -5.531 11.643 1.00 0.00 H new ATOM 0 HG21 ILE A 76 0.503 -7.269 8.701 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -0.024 -5.851 7.763 1.00 0.00 H new ATOM 0 HG23 ILE A 76 1.711 -6.215 7.929 1.00 0.00 H new ATOM 0 HD11 ILE A 76 2.593 -7.840 11.331 1.00 0.00 H new ATOM 0 HD12 ILE A 76 0.843 -7.776 11.015 1.00 0.00 H new ATOM 0 HD13 ILE A 76 1.990 -7.843 9.657 1.00 0.00 H new ATOM 1218 N ALA A 77 -1.049 -2.990 8.877 1.00 0.00 N ATOM 1219 CA ALA A 77 -2.113 -2.425 7.998 1.00 0.00 C ATOM 1220 C ALA A 77 -1.596 -1.174 7.287 1.00 0.00 C ATOM 1221 O ALA A 77 -1.903 -0.927 6.138 1.00 0.00 O ATOM 1222 CB ALA A 77 -3.264 -2.073 8.941 1.00 0.00 C ATOM 0 H ALA A 77 -1.287 -3.044 9.867 1.00 0.00 H new ATOM 0 HA ALA A 77 -2.425 -3.125 7.223 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -4.088 -1.650 8.367 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -3.603 -2.973 9.453 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -2.922 -1.344 9.676 1.00 0.00 H new ATOM 1228 N GLU A 78 -0.806 -0.384 7.961 1.00 0.00 N ATOM 1229 CA GLU A 78 -0.262 0.848 7.323 1.00 0.00 C ATOM 1230 C GLU A 78 1.201 0.625 6.938 1.00 0.00 C ATOM 1231 O GLU A 78 1.920 1.547 6.610 1.00 0.00 O ATOM 1232 CB GLU A 78 -0.381 1.932 8.393 1.00 0.00 C ATOM 1233 CG GLU A 78 -1.853 2.116 8.764 1.00 0.00 C ATOM 1234 CD GLU A 78 -1.977 3.200 9.836 1.00 0.00 C ATOM 1235 OE1 GLU A 78 -1.842 2.870 11.002 1.00 0.00 O ATOM 1236 OE2 GLU A 78 -2.204 4.342 9.471 1.00 0.00 O ATOM 0 H GLU A 78 -0.514 -0.538 8.926 1.00 0.00 H new ATOM 0 HA GLU A 78 -0.796 1.121 6.413 1.00 0.00 H new ATOM 0 HB2 GLU A 78 0.196 1.654 9.275 1.00 0.00 H new ATOM 0 HB3 GLU A 78 0.033 2.870 8.024 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -2.429 2.394 7.882 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -2.267 1.177 9.132 1.00 0.00 H new ATOM 1243 N ASP A 79 1.640 -0.604 6.970 1.00 0.00 N ATOM 1244 CA ASP A 79 3.050 -0.909 6.602 1.00 0.00 C ATOM 1245 C ASP A 79 3.181 -2.393 6.245 1.00 0.00 C ATOM 1246 O ASP A 79 3.138 -3.243 7.114 1.00 0.00 O ATOM 1247 CB ASP A 79 3.873 -0.585 7.849 1.00 0.00 C ATOM 1248 CG ASP A 79 5.247 -0.060 7.427 1.00 0.00 C ATOM 1249 OD1 ASP A 79 5.291 0.974 6.781 1.00 0.00 O ATOM 1250 OD2 ASP A 79 6.230 -0.702 7.755 1.00 0.00 O ATOM 0 H ASP A 79 1.079 -1.413 7.237 1.00 0.00 H new ATOM 0 HA ASP A 79 3.386 -0.335 5.739 1.00 0.00 H new ATOM 0 HB2 ASP A 79 3.357 0.159 8.456 1.00 0.00 H new ATOM 0 HB3 ASP A 79 3.986 -1.476 8.466 1.00 0.00 H new ATOM 1255 N PRO A 80 3.333 -2.659 4.975 1.00 0.00 N ATOM 1256 CA PRO A 80 3.465 -4.055 4.497 1.00 0.00 C ATOM 1257 C PRO A 80 4.645 -4.750 5.183 1.00 0.00 C ATOM 1258 O PRO A 80 4.469 -5.685 5.938 1.00 0.00 O ATOM 1259 CB PRO A 80 3.712 -3.872 2.997 1.00 0.00 C ATOM 1260 CG PRO A 80 3.701 -2.364 2.673 1.00 0.00 C ATOM 1261 CD PRO A 80 3.386 -1.586 3.957 1.00 0.00 C ATOM 0 HA PRO A 80 2.598 -4.680 4.712 1.00 0.00 H new ATOM 0 HB2 PRO A 80 4.669 -4.312 2.715 1.00 0.00 H new ATOM 0 HB3 PRO A 80 2.943 -4.387 2.422 1.00 0.00 H new ATOM 0 HG2 PRO A 80 4.667 -2.057 2.273 1.00 0.00 H new ATOM 0 HG3 PRO A 80 2.956 -2.148 1.908 1.00 0.00 H new ATOM 0 HD2 PRO A 80 4.156 -0.848 4.184 1.00 0.00 H new ATOM 0 HD3 PRO A 80 2.441 -1.048 3.884 1.00 0.00 H new ATOM 1269 N GLY A 81 5.846 -4.305 4.931 1.00 0.00 N ATOM 1270 CA GLY A 81 7.025 -4.947 5.575 1.00 0.00 C ATOM 1271 C GLY A 81 7.394 -6.223 4.816 1.00 0.00 C ATOM 1272 O GLY A 81 7.408 -6.254 3.602 1.00 0.00 O ATOM 0 H GLY A 81 6.061 -3.526 4.308 1.00 0.00 H new ATOM 0 HA2 GLY A 81 7.869 -4.258 5.580 1.00 0.00 H new ATOM 0 HA3 GLY A 81 6.800 -5.183 6.615 1.00 0.00 H new ATOM 1276 N THR A 82 7.691 -7.278 5.525 1.00 0.00 N ATOM 1277 CA THR A 82 8.059 -8.556 4.849 1.00 0.00 C ATOM 1278 C THR A 82 6.797 -9.268 4.351 1.00 0.00 C ATOM 1279 O THR A 82 6.840 -10.079 3.446 1.00 0.00 O ATOM 1280 CB THR A 82 8.752 -9.387 5.929 1.00 0.00 C ATOM 1281 OG1 THR A 82 7.842 -9.627 6.993 1.00 0.00 O ATOM 1282 CG2 THR A 82 9.971 -8.629 6.456 1.00 0.00 C ATOM 0 H THR A 82 7.695 -7.311 6.544 1.00 0.00 H new ATOM 0 HA THR A 82 8.700 -8.398 3.982 1.00 0.00 H new ATOM 0 HB THR A 82 9.076 -10.338 5.506 1.00 0.00 H new ATOM 0 HG1 THR A 82 8.340 -9.867 7.802 1.00 0.00 H new ATOM 0 HG21 THR A 82 10.464 -9.223 7.226 1.00 0.00 H new ATOM 0 HG22 THR A 82 10.667 -8.446 5.638 1.00 0.00 H new ATOM 0 HG23 THR A 82 9.652 -7.677 6.881 1.00 0.00 H new ATOM 1290 N CYS A 83 5.674 -8.971 4.939 1.00 0.00 N ATOM 1291 CA CYS A 83 4.406 -9.628 4.508 1.00 0.00 C ATOM 1292 C CYS A 83 4.296 -9.633 2.978 1.00 0.00 C ATOM 1293 O CYS A 83 4.159 -10.670 2.358 1.00 0.00 O ATOM 1294 CB CYS A 83 3.299 -8.769 5.121 1.00 0.00 C ATOM 1295 SG CYS A 83 1.779 -9.740 5.261 1.00 0.00 S ATOM 0 H CYS A 83 5.577 -8.300 5.701 1.00 0.00 H new ATOM 0 HA CYS A 83 4.349 -10.668 4.828 1.00 0.00 H new ATOM 0 HB2 CYS A 83 3.605 -8.412 6.104 1.00 0.00 H new ATOM 0 HB3 CYS A 83 3.124 -7.889 4.502 1.00 0.00 H new ATOM 1300 N GLU A 84 4.333 -8.480 2.370 1.00 0.00 N ATOM 1301 CA GLU A 84 4.208 -8.405 0.885 1.00 0.00 C ATOM 1302 C GLU A 84 5.284 -9.244 0.187 1.00 0.00 C ATOM 1303 O GLU A 84 5.033 -9.858 -0.831 1.00 0.00 O ATOM 1304 CB GLU A 84 4.386 -6.924 0.555 1.00 0.00 C ATOM 1305 CG GLU A 84 3.067 -6.191 0.803 1.00 0.00 C ATOM 1306 CD GLU A 84 3.119 -4.808 0.150 1.00 0.00 C ATOM 1307 OE1 GLU A 84 4.128 -4.501 -0.462 1.00 0.00 O ATOM 1308 OE2 GLU A 84 2.148 -4.079 0.273 1.00 0.00 O ATOM 0 H GLU A 84 4.445 -7.581 2.839 1.00 0.00 H new ATOM 0 HA GLU A 84 3.251 -8.799 0.542 1.00 0.00 H new ATOM 0 HB2 GLU A 84 5.176 -6.494 1.171 1.00 0.00 H new ATOM 0 HB3 GLU A 84 4.692 -6.805 -0.484 1.00 0.00 H new ATOM 0 HG2 GLU A 84 2.237 -6.767 0.394 1.00 0.00 H new ATOM 0 HG3 GLU A 84 2.890 -6.092 1.874 1.00 0.00 H new ATOM 1315 N ILE A 85 6.479 -9.273 0.708 1.00 0.00 N ATOM 1316 CA ILE A 85 7.549 -10.073 0.043 1.00 0.00 C ATOM 1317 C ILE A 85 7.553 -11.510 0.574 1.00 0.00 C ATOM 1318 O ILE A 85 8.473 -12.267 0.339 1.00 0.00 O ATOM 1319 CB ILE A 85 8.859 -9.355 0.382 1.00 0.00 C ATOM 1320 CG1 ILE A 85 9.125 -9.451 1.883 1.00 0.00 C ATOM 1321 CG2 ILE A 85 8.748 -7.884 -0.022 1.00 0.00 C ATOM 1322 CD1 ILE A 85 10.274 -8.514 2.258 1.00 0.00 C ATOM 0 H ILE A 85 6.761 -8.783 1.557 1.00 0.00 H new ATOM 0 HA ILE A 85 7.399 -10.144 -1.034 1.00 0.00 H new ATOM 0 HB ILE A 85 9.680 -9.824 -0.160 1.00 0.00 H new ATOM 0 HG12 ILE A 85 8.227 -9.184 2.440 1.00 0.00 H new ATOM 0 HG13 ILE A 85 9.375 -10.477 2.154 1.00 0.00 H new ATOM 0 HG21 ILE A 85 9.679 -7.370 0.218 1.00 0.00 H new ATOM 0 HG22 ILE A 85 8.560 -7.814 -1.093 1.00 0.00 H new ATOM 0 HG23 ILE A 85 7.926 -7.418 0.521 1.00 0.00 H new ATOM 0 HD11 ILE A 85 10.464 -8.582 3.329 1.00 0.00 H new ATOM 0 HD12 ILE A 85 11.172 -8.802 1.711 1.00 0.00 H new ATOM 0 HD13 ILE A 85 10.006 -7.489 2.002 1.00 0.00 H new ATOM 1334 N CYS A 86 6.522 -11.892 1.280 1.00 0.00 N ATOM 1335 CA CYS A 86 6.454 -13.283 1.816 1.00 0.00 C ATOM 1336 C CYS A 86 7.736 -13.636 2.575 1.00 0.00 C ATOM 1337 O CYS A 86 8.043 -14.793 2.784 1.00 0.00 O ATOM 1338 CB CYS A 86 6.301 -14.175 0.585 1.00 0.00 C ATOM 1339 SG CYS A 86 4.863 -13.642 -0.374 1.00 0.00 S ATOM 0 H CYS A 86 5.723 -11.300 1.509 1.00 0.00 H new ATOM 0 HA CYS A 86 5.631 -13.407 2.520 1.00 0.00 H new ATOM 0 HB2 CYS A 86 7.200 -14.122 -0.029 1.00 0.00 H new ATOM 0 HB3 CYS A 86 6.183 -15.215 0.889 1.00 0.00 H new ATOM 1344 N ALA A 87 8.486 -12.655 2.994 1.00 0.00 N ATOM 1345 CA ALA A 87 9.742 -12.953 3.741 1.00 0.00 C ATOM 1346 C ALA A 87 9.407 -13.411 5.163 1.00 0.00 C ATOM 1347 O ALA A 87 10.278 -13.759 5.936 1.00 0.00 O ATOM 1348 CB ALA A 87 10.512 -11.633 3.770 1.00 0.00 C ATOM 0 H ALA A 87 8.286 -11.665 2.853 1.00 0.00 H new ATOM 0 HA ALA A 87 10.323 -13.749 3.275 1.00 0.00 H new ATOM 0 HB1 ALA A 87 11.452 -11.772 4.305 1.00 0.00 H new ATOM 0 HB2 ALA A 87 10.719 -11.310 2.750 1.00 0.00 H new ATOM 0 HB3 ALA A 87 9.915 -10.875 4.276 1.00 0.00 H new ATOM 1354 N TYR A 88 8.149 -13.415 5.513 1.00 0.00 N ATOM 1355 CA TYR A 88 7.755 -13.850 6.883 1.00 0.00 C ATOM 1356 C TYR A 88 6.339 -14.432 6.869 1.00 0.00 C ATOM 1357 O TYR A 88 5.633 -14.360 5.883 1.00 0.00 O ATOM 1358 CB TYR A 88 7.801 -12.577 7.729 1.00 0.00 C ATOM 1359 CG TYR A 88 9.110 -12.514 8.479 1.00 0.00 C ATOM 1360 CD1 TYR A 88 10.236 -11.943 7.875 1.00 0.00 C ATOM 1361 CD2 TYR A 88 9.198 -13.024 9.781 1.00 0.00 C ATOM 1362 CE1 TYR A 88 11.450 -11.882 8.570 1.00 0.00 C ATOM 1363 CE2 TYR A 88 10.411 -12.962 10.476 1.00 0.00 C ATOM 1364 CZ TYR A 88 11.537 -12.391 9.871 1.00 0.00 C ATOM 1365 OH TYR A 88 12.733 -12.330 10.557 1.00 0.00 O ATOM 0 H TYR A 88 7.377 -13.135 4.908 1.00 0.00 H new ATOM 0 HA TYR A 88 8.413 -14.626 7.274 1.00 0.00 H new ATOM 0 HB2 TYR A 88 7.694 -11.700 7.091 1.00 0.00 H new ATOM 0 HB3 TYR A 88 6.967 -12.564 8.431 1.00 0.00 H new ATOM 0 HD1 TYR A 88 10.168 -11.549 6.872 1.00 0.00 H new ATOM 0 HD2 TYR A 88 8.330 -13.465 10.248 1.00 0.00 H new ATOM 0 HE1 TYR A 88 12.319 -11.442 8.103 1.00 0.00 H new ATOM 0 HE2 TYR A 88 10.479 -13.355 11.480 1.00 0.00 H new ATOM 0 HH TYR A 88 12.621 -12.726 11.446 1.00 0.00 H new ATOM 1375 N ALA A 89 5.921 -15.011 7.961 1.00 0.00 N ATOM 1376 CA ALA A 89 4.552 -15.602 8.021 1.00 0.00 C ATOM 1377 C ALA A 89 3.497 -14.497 8.156 1.00 0.00 C ATOM 1378 O ALA A 89 2.323 -14.764 8.316 1.00 0.00 O ATOM 1379 CB ALA A 89 4.558 -16.490 9.265 1.00 0.00 C ATOM 0 H ALA A 89 6.469 -15.101 8.817 1.00 0.00 H new ATOM 0 HA ALA A 89 4.308 -16.163 7.119 1.00 0.00 H new ATOM 0 HB1 ALA A 89 3.582 -16.962 9.379 1.00 0.00 H new ATOM 0 HB2 ALA A 89 5.323 -17.259 9.160 1.00 0.00 H new ATOM 0 HB3 ALA A 89 4.772 -15.883 10.144 1.00 0.00 H new ATOM 1385 N ALA A 90 3.908 -13.260 8.099 1.00 0.00 N ATOM 1386 CA ALA A 90 2.930 -12.140 8.231 1.00 0.00 C ATOM 1387 C ALA A 90 1.940 -12.146 7.062 1.00 0.00 C ATOM 1388 O ALA A 90 0.801 -11.745 7.202 1.00 0.00 O ATOM 1389 CB ALA A 90 3.777 -10.869 8.204 1.00 0.00 C ATOM 0 H ALA A 90 4.878 -12.975 7.967 1.00 0.00 H new ATOM 0 HA ALA A 90 2.339 -12.222 9.143 1.00 0.00 H new ATOM 0 HB1 ALA A 90 3.129 -9.998 8.296 1.00 0.00 H new ATOM 0 HB2 ALA A 90 4.484 -10.885 9.034 1.00 0.00 H new ATOM 0 HB3 ALA A 90 4.324 -10.816 7.263 1.00 0.00 H new ATOM 1395 N CYS A 91 2.361 -12.587 5.909 1.00 0.00 N ATOM 1396 CA CYS A 91 1.436 -12.606 4.738 1.00 0.00 C ATOM 1397 C CYS A 91 1.159 -14.041 4.294 1.00 0.00 C ATOM 1398 O CYS A 91 2.064 -14.808 4.034 1.00 0.00 O ATOM 1399 CB CYS A 91 2.172 -11.840 3.641 1.00 0.00 C ATOM 1400 SG CYS A 91 1.419 -10.207 3.436 1.00 0.00 S ATOM 0 H CYS A 91 3.302 -12.934 5.726 1.00 0.00 H new ATOM 0 HA CYS A 91 0.470 -12.160 4.974 1.00 0.00 H new ATOM 0 HB2 CYS A 91 3.226 -11.736 3.899 1.00 0.00 H new ATOM 0 HB3 CYS A 91 2.127 -12.393 2.703 1.00 0.00 H new ATOM 1405 N THR A 92 -0.089 -14.409 4.208 1.00 0.00 N ATOM 1406 CA THR A 92 -0.428 -15.797 3.783 1.00 0.00 C ATOM 1407 C THR A 92 -1.154 -15.780 2.436 1.00 0.00 C ATOM 1408 O THR A 92 -1.819 -14.824 2.088 1.00 0.00 O ATOM 1409 CB THR A 92 -1.345 -16.327 4.883 1.00 0.00 C ATOM 1410 OG1 THR A 92 -2.588 -15.638 4.835 1.00 0.00 O ATOM 1411 CG2 THR A 92 -0.686 -16.103 6.242 1.00 0.00 C ATOM 0 H THR A 92 -0.889 -13.810 4.413 1.00 0.00 H new ATOM 0 HA THR A 92 0.458 -16.419 3.652 1.00 0.00 H new ATOM 0 HB THR A 92 -1.517 -17.393 4.735 1.00 0.00 H new ATOM 0 HG1 THR A 92 -3.178 -15.978 5.539 1.00 0.00 H new ATOM 0 HG21 THR A 92 -1.338 -16.480 7.029 1.00 0.00 H new ATOM 0 HG22 THR A 92 0.267 -16.631 6.276 1.00 0.00 H new ATOM 0 HG23 THR A 92 -0.515 -15.037 6.392 1.00 0.00 H new ATOM 1419 N GLY A 93 -1.032 -16.833 1.676 1.00 0.00 N ATOM 1420 CA GLY A 93 -1.714 -16.881 0.351 1.00 0.00 C ATOM 1421 C GLY A 93 -0.712 -16.522 -0.748 1.00 0.00 C ATOM 1422 O GLY A 93 -0.896 -16.857 -1.901 1.00 0.00 O ATOM 0 H GLY A 93 -0.489 -17.663 1.915 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -2.122 -17.876 0.175 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -2.553 -16.185 0.336 1.00 0.00 H new ATOM 1426 N CYS A 94 0.347 -15.844 -0.400 1.00 0.00 N ATOM 1427 CA CYS A 94 1.360 -15.465 -1.425 1.00 0.00 C ATOM 1428 C CYS A 94 1.654 -16.654 -2.346 1.00 0.00 C ATOM 1429 O CYS A 94 1.771 -17.757 -1.837 1.00 0.00 O ATOM 1430 CB CYS A 94 2.607 -15.085 -0.625 1.00 0.00 C ATOM 1431 SG CYS A 94 3.967 -14.721 -1.764 1.00 0.00 S ATOM 1432 OXT CYS A 94 1.753 -16.440 -3.543 1.00 0.00 O ATOM 0 H CYS A 94 0.555 -15.536 0.550 1.00 0.00 H new ATOM 0 HA CYS A 94 1.018 -14.649 -2.062 1.00 0.00 H new ATOM 0 HB2 CYS A 94 2.400 -14.217 0.001 1.00 0.00 H new ATOM 0 HB3 CYS A 94 2.886 -15.900 0.043 1.00 0.00 H new