USER MOD reduce.3.24.130724 H: found=0, std=0, add=559, rem=0, adj=10 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 Set 1.1: A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 49 SER OG : rot 140:sc= -0.352 USER MOD Set 2.2: A 50 ASN : amide:sc= -0.764 K(o=-1.1,f=-1.9) USER MOD Single : A 1 VAL N :NH3+ 135:sc= -0.0227 (180deg=-0.561) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 GLN : amide:sc= -1.2! C(o=-1.2!,f=-1.3!) USER MOD Single : A 7 ASN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0.0853 USER MOD Single : A 16 LYS NZ :NH3+ -125:sc= 0 (180deg=-1.75!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -0.882 K(o=-0.88,f=-2.5!) USER MOD Single : A 52 ASN : amide:sc= -0.673 K(o=-0.67,f=-1.9) USER MOD Single : A 65 ASN : amide:sc= -0.254 X(o=-0.25,f=0) USER MOD Single : A 67 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 71 GLN : amide:sc= -0.972 X(o=-0.97,f=-1.3) USER MOD Single : A 82 THR OG1 : rot -140:sc= -1.32 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 -2.407 -12.484 -0.364 1.00 0.00 N ATOM 2 CA VAL A 1 -1.470 -12.024 0.701 1.00 0.00 C ATOM 3 C VAL A 1 -2.259 -11.436 1.876 1.00 0.00 C ATOM 4 O VAL A 1 -2.843 -10.376 1.777 1.00 0.00 O ATOM 5 CB VAL A 1 -0.608 -10.950 0.032 1.00 0.00 C ATOM 6 CG1 VAL A 1 -1.440 -9.683 -0.183 1.00 0.00 C ATOM 7 CG2 VAL A 1 0.589 -10.627 0.926 1.00 0.00 C ATOM 0 H1 VAL A 1 -2.059 -12.170 -1.292 1.00 0.00 H new ATOM 0 H2 VAL A 1 -2.466 -13.522 -0.350 1.00 0.00 H new ATOM 0 H3 VAL A 1 -3.351 -12.081 -0.194 1.00 0.00 H new ATOM 0 HA VAL A 1 -0.864 -12.836 1.103 1.00 0.00 H new ATOM 0 HB VAL A 1 -0.255 -11.319 -0.931 1.00 0.00 H new ATOM 0 HG11 VAL A 1 -0.824 -8.920 -0.659 1.00 0.00 H new ATOM 0 HG12 VAL A 1 -2.293 -9.912 -0.822 1.00 0.00 H new ATOM 0 HG13 VAL A 1 -1.796 -9.314 0.779 1.00 0.00 H new ATOM 0 HG21 VAL A 1 1.203 -9.862 0.450 1.00 0.00 H new ATOM 0 HG22 VAL A 1 0.235 -10.260 1.889 1.00 0.00 H new ATOM 0 HG23 VAL A 1 1.184 -11.528 1.077 1.00 0.00 H new ATOM 19 N THR A 2 -2.288 -12.122 2.986 1.00 0.00 N ATOM 20 CA THR A 2 -3.049 -11.602 4.159 1.00 0.00 C ATOM 21 C THR A 2 -2.179 -11.615 5.418 1.00 0.00 C ATOM 22 O THR A 2 -1.252 -12.391 5.541 1.00 0.00 O ATOM 23 CB THR A 2 -4.232 -12.559 4.313 1.00 0.00 C ATOM 24 OG1 THR A 2 -4.982 -12.579 3.107 1.00 0.00 O ATOM 25 CG2 THR A 2 -5.124 -12.088 5.462 1.00 0.00 C ATOM 0 H THR A 2 -1.820 -13.016 3.132 1.00 0.00 H new ATOM 0 HA THR A 2 -3.369 -10.570 4.015 1.00 0.00 H new ATOM 0 HB THR A 2 -3.864 -13.562 4.529 1.00 0.00 H new ATOM 0 HG1 THR A 2 -5.740 -13.193 3.203 1.00 0.00 H new ATOM 0 HG21 THR A 2 -5.967 -12.770 5.571 1.00 0.00 H new ATOM 0 HG22 THR A 2 -4.548 -12.072 6.387 1.00 0.00 H new ATOM 0 HG23 THR A 2 -5.494 -11.085 5.248 1.00 0.00 H new ATOM 33 N VAL A 3 -2.480 -10.762 6.359 1.00 0.00 N ATOM 34 CA VAL A 3 -1.682 -10.723 7.617 1.00 0.00 C ATOM 35 C VAL A 3 -2.198 -11.784 8.592 1.00 0.00 C ATOM 36 O VAL A 3 -3.332 -11.742 9.025 1.00 0.00 O ATOM 37 CB VAL A 3 -1.897 -9.319 8.183 1.00 0.00 C ATOM 38 CG1 VAL A 3 -1.414 -9.274 9.633 1.00 0.00 C ATOM 39 CG2 VAL A 3 -1.105 -8.309 7.350 1.00 0.00 C ATOM 0 H VAL A 3 -3.245 -10.089 6.311 1.00 0.00 H new ATOM 0 HA VAL A 3 -0.626 -10.930 7.447 1.00 0.00 H new ATOM 0 HB VAL A 3 -2.958 -9.070 8.146 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -1.567 -8.273 10.037 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -1.977 -9.995 10.226 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -0.353 -9.522 9.671 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -1.257 -7.307 7.752 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -0.045 -8.558 7.388 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -1.449 -8.341 6.316 1.00 0.00 H new ATOM 49 N GLN A 4 -1.379 -12.740 8.935 1.00 0.00 N ATOM 50 CA GLN A 4 -1.834 -13.803 9.875 1.00 0.00 C ATOM 51 C GLN A 4 -1.100 -13.686 11.212 1.00 0.00 C ATOM 52 O GLN A 4 0.113 -13.634 11.265 1.00 0.00 O ATOM 53 CB GLN A 4 -1.482 -15.122 9.186 1.00 0.00 C ATOM 54 CG GLN A 4 -1.900 -16.290 10.082 1.00 0.00 C ATOM 55 CD GLN A 4 -1.450 -17.608 9.449 1.00 0.00 C ATOM 56 OE1 GLN A 4 -0.270 -17.891 9.378 1.00 0.00 O ATOM 57 NE2 GLN A 4 -2.347 -18.432 8.983 1.00 0.00 N ATOM 0 H GLN A 4 -0.418 -12.831 8.606 1.00 0.00 H new ATOM 0 HA GLN A 4 -2.899 -13.727 10.093 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -1.988 -15.189 8.223 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -0.411 -15.167 8.987 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -1.456 -16.180 11.071 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -2.982 -16.290 10.216 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -3.337 -18.195 9.042 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -2.058 -19.314 8.559 1.00 0.00 H new ATOM 66 N ASP A 5 -1.830 -13.656 12.291 1.00 0.00 N ATOM 67 CA ASP A 5 -1.183 -13.554 13.630 1.00 0.00 C ATOM 68 C ASP A 5 -1.437 -14.838 14.425 1.00 0.00 C ATOM 69 O ASP A 5 -1.168 -14.914 15.606 1.00 0.00 O ATOM 70 CB ASP A 5 -1.856 -12.358 14.306 1.00 0.00 C ATOM 71 CG ASP A 5 -1.359 -11.064 13.662 1.00 0.00 C ATOM 72 OD1 ASP A 5 -0.530 -11.149 12.771 1.00 0.00 O ATOM 73 OD2 ASP A 5 -1.816 -10.009 14.069 1.00 0.00 O ATOM 0 H ASP A 5 -2.849 -13.698 12.304 1.00 0.00 H new ATOM 0 HA ASP A 5 -0.103 -13.424 13.565 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -2.939 -12.433 14.208 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -1.632 -12.356 15.373 1.00 0.00 H new ATOM 78 N GLY A 6 -1.955 -15.845 13.776 1.00 0.00 N ATOM 79 CA GLY A 6 -2.230 -17.129 14.479 1.00 0.00 C ATOM 80 C GLY A 6 -2.731 -18.159 13.466 1.00 0.00 C ATOM 81 O GLY A 6 -2.289 -18.196 12.334 1.00 0.00 O ATOM 0 H GLY A 6 -2.200 -15.833 12.786 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -1.325 -17.491 14.967 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -2.975 -16.977 15.260 1.00 0.00 H new ATOM 85 N ASN A 7 -3.651 -18.995 13.860 1.00 0.00 N ATOM 86 CA ASN A 7 -4.179 -20.019 12.914 1.00 0.00 C ATOM 87 C ASN A 7 -5.260 -19.406 12.020 1.00 0.00 C ATOM 88 O ASN A 7 -5.925 -20.095 11.272 1.00 0.00 O ATOM 89 CB ASN A 7 -4.777 -21.110 13.804 1.00 0.00 C ATOM 90 CG ASN A 7 -3.681 -21.705 14.691 1.00 0.00 C ATOM 91 OD1 ASN A 7 -2.568 -21.909 14.247 1.00 0.00 O ATOM 92 ND2 ASN A 7 -3.950 -21.995 15.934 1.00 0.00 N ATOM 0 H ASN A 7 -4.060 -19.014 14.794 1.00 0.00 H new ATOM 0 HA ASN A 7 -3.404 -20.409 12.254 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -5.573 -20.694 14.422 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -5.225 -21.890 13.189 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -3.227 -22.393 16.533 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -4.884 -21.824 16.307 1.00 0.00 H new ATOM 99 N PHE A 8 -5.443 -18.116 12.092 1.00 0.00 N ATOM 100 CA PHE A 8 -6.484 -17.461 11.247 1.00 0.00 C ATOM 101 C PHE A 8 -5.859 -16.352 10.395 1.00 0.00 C ATOM 102 O PHE A 8 -4.937 -15.680 10.811 1.00 0.00 O ATOM 103 CB PHE A 8 -7.484 -16.874 12.244 1.00 0.00 C ATOM 104 CG PHE A 8 -8.001 -17.972 13.142 1.00 0.00 C ATOM 105 CD1 PHE A 8 -7.332 -18.274 14.333 1.00 0.00 C ATOM 106 CD2 PHE A 8 -9.149 -18.688 12.782 1.00 0.00 C ATOM 107 CE1 PHE A 8 -7.810 -19.293 15.166 1.00 0.00 C ATOM 108 CE2 PHE A 8 -9.628 -19.707 13.615 1.00 0.00 C ATOM 109 CZ PHE A 8 -8.958 -20.010 14.806 1.00 0.00 C ATOM 0 H PHE A 8 -4.917 -17.487 12.699 1.00 0.00 H new ATOM 0 HA PHE A 8 -6.956 -18.159 10.556 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -7.006 -16.097 12.840 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -8.311 -16.404 11.712 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -6.447 -17.721 14.610 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -9.665 -18.455 11.862 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -7.294 -19.526 16.086 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -10.514 -20.259 13.338 1.00 0.00 H new ATOM 0 HZ PHE A 8 -9.326 -20.797 15.448 1.00 0.00 H new ATOM 119 N SER A 9 -6.356 -16.159 9.204 1.00 0.00 N ATOM 120 CA SER A 9 -5.792 -15.095 8.323 1.00 0.00 C ATOM 121 C SER A 9 -6.540 -13.775 8.541 1.00 0.00 C ATOM 122 O SER A 9 -7.745 -13.702 8.400 1.00 0.00 O ATOM 123 CB SER A 9 -6.009 -15.608 6.899 1.00 0.00 C ATOM 124 OG SER A 9 -5.333 -16.847 6.735 1.00 0.00 O ATOM 0 H SER A 9 -7.128 -16.691 8.802 1.00 0.00 H new ATOM 0 HA SER A 9 -4.740 -14.899 8.530 1.00 0.00 H new ATOM 0 HB2 SER A 9 -7.074 -15.734 6.704 1.00 0.00 H new ATOM 0 HB3 SER A 9 -5.637 -14.880 6.178 1.00 0.00 H new ATOM 0 HG SER A 9 -5.473 -17.178 5.823 1.00 0.00 H new ATOM 130 N PHE A 10 -5.832 -12.732 8.883 1.00 0.00 N ATOM 131 CA PHE A 10 -6.499 -11.417 9.110 1.00 0.00 C ATOM 132 C PHE A 10 -6.113 -10.426 8.005 1.00 0.00 C ATOM 133 O PHE A 10 -4.950 -10.153 7.781 1.00 0.00 O ATOM 134 CB PHE A 10 -5.977 -10.937 10.465 1.00 0.00 C ATOM 135 CG PHE A 10 -6.451 -11.868 11.556 1.00 0.00 C ATOM 136 CD1 PHE A 10 -7.719 -12.458 11.476 1.00 0.00 C ATOM 137 CD2 PHE A 10 -5.624 -12.136 12.654 1.00 0.00 C ATOM 138 CE1 PHE A 10 -8.157 -13.318 12.492 1.00 0.00 C ATOM 139 CE2 PHE A 10 -6.063 -12.994 13.669 1.00 0.00 C ATOM 140 CZ PHE A 10 -7.330 -13.584 13.589 1.00 0.00 C ATOM 0 H PHE A 10 -4.821 -12.734 9.015 1.00 0.00 H new ATOM 0 HA PHE A 10 -7.586 -11.499 9.096 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -4.888 -10.901 10.453 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -6.327 -9.924 10.662 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -8.359 -12.250 10.631 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -4.647 -11.680 12.718 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -9.133 -13.776 12.428 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -5.424 -13.201 14.515 1.00 0.00 H new ATOM 0 HZ PHE A 10 -7.669 -14.244 14.374 1.00 0.00 H new ATOM 150 N SER A 11 -7.081 -9.887 7.313 1.00 0.00 N ATOM 151 CA SER A 11 -6.773 -8.917 6.222 1.00 0.00 C ATOM 152 C SER A 11 -6.074 -7.675 6.788 1.00 0.00 C ATOM 153 O SER A 11 -6.203 -7.355 7.953 1.00 0.00 O ATOM 154 CB SER A 11 -8.133 -8.542 5.631 1.00 0.00 C ATOM 155 OG SER A 11 -8.757 -9.705 5.106 1.00 0.00 O ATOM 0 H SER A 11 -8.073 -10.077 7.456 1.00 0.00 H new ATOM 0 HA SER A 11 -6.103 -9.341 5.474 1.00 0.00 H new ATOM 0 HB2 SER A 11 -8.764 -8.093 6.398 1.00 0.00 H new ATOM 0 HB3 SER A 11 -8.007 -7.797 4.845 1.00 0.00 H new ATOM 0 HG SER A 11 -9.629 -9.466 4.729 1.00 0.00 H new ATOM 161 N LEU A 12 -5.329 -6.976 5.971 1.00 0.00 N ATOM 162 CA LEU A 12 -4.616 -5.759 6.461 1.00 0.00 C ATOM 163 C LEU A 12 -5.401 -4.491 6.096 1.00 0.00 C ATOM 164 O LEU A 12 -5.222 -3.447 6.688 1.00 0.00 O ATOM 165 CB LEU A 12 -3.266 -5.780 5.742 1.00 0.00 C ATOM 166 CG LEU A 12 -2.410 -4.605 6.220 1.00 0.00 C ATOM 167 CD1 LEU A 12 -2.024 -4.818 7.685 1.00 0.00 C ATOM 168 CD2 LEU A 12 -1.140 -4.517 5.370 1.00 0.00 C ATOM 0 H LEU A 12 -5.184 -7.196 4.986 1.00 0.00 H new ATOM 0 HA LEU A 12 -4.505 -5.756 7.545 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.752 -6.721 5.939 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.416 -5.719 4.664 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.979 -3.680 6.122 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.414 -3.981 8.026 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.926 -4.881 8.293 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.456 -5.743 7.781 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.531 -3.680 5.711 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.572 -5.442 5.467 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -1.411 -4.366 4.325 1.00 0.00 H new ATOM 180 N GLU A 13 -6.263 -4.574 5.120 1.00 0.00 N ATOM 181 CA GLU A 13 -7.051 -3.370 4.719 1.00 0.00 C ATOM 182 C GLU A 13 -7.938 -2.900 5.875 1.00 0.00 C ATOM 183 O GLU A 13 -7.760 -1.823 6.409 1.00 0.00 O ATOM 184 CB GLU A 13 -7.908 -3.831 3.540 1.00 0.00 C ATOM 185 CG GLU A 13 -7.000 -4.265 2.388 1.00 0.00 C ATOM 186 CD GLU A 13 -7.854 -4.643 1.177 1.00 0.00 C ATOM 187 OE1 GLU A 13 -9.063 -4.708 1.326 1.00 0.00 O ATOM 188 OE2 GLU A 13 -7.284 -4.861 0.121 1.00 0.00 O ATOM 0 H GLU A 13 -6.457 -5.420 4.583 1.00 0.00 H new ATOM 0 HA GLU A 13 -6.409 -2.530 4.454 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -8.548 -4.659 3.844 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -8.564 -3.023 3.216 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -6.317 -3.457 2.126 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -6.388 -5.114 2.694 1.00 0.00 H new ATOM 195 N SER A 14 -8.898 -3.695 6.262 1.00 0.00 N ATOM 196 CA SER A 14 -9.804 -3.290 7.377 1.00 0.00 C ATOM 197 C SER A 14 -9.004 -2.738 8.559 1.00 0.00 C ATOM 198 O SER A 14 -9.318 -1.691 9.093 1.00 0.00 O ATOM 199 CB SER A 14 -10.526 -4.572 7.788 1.00 0.00 C ATOM 200 OG SER A 14 -10.978 -5.256 6.629 1.00 0.00 O ATOM 0 H SER A 14 -9.095 -4.609 5.854 1.00 0.00 H new ATOM 0 HA SER A 14 -10.493 -2.504 7.068 1.00 0.00 H new ATOM 0 HB2 SER A 14 -9.855 -5.211 8.362 1.00 0.00 H new ATOM 0 HB3 SER A 14 -11.370 -4.334 8.435 1.00 0.00 H new ATOM 0 HG SER A 14 -11.439 -6.079 6.894 1.00 0.00 H new ATOM 206 N VAL A 15 -7.980 -3.429 8.980 1.00 0.00 N ATOM 207 CA VAL A 15 -7.178 -2.929 10.134 1.00 0.00 C ATOM 208 C VAL A 15 -6.566 -1.568 9.798 1.00 0.00 C ATOM 209 O VAL A 15 -6.612 -0.647 10.588 1.00 0.00 O ATOM 210 CB VAL A 15 -6.099 -3.985 10.368 1.00 0.00 C ATOM 211 CG1 VAL A 15 -6.770 -5.283 10.820 1.00 0.00 C ATOM 212 CG2 VAL A 15 -5.320 -4.235 9.076 1.00 0.00 C ATOM 0 H VAL A 15 -7.665 -4.312 8.579 1.00 0.00 H new ATOM 0 HA VAL A 15 -7.784 -2.784 11.029 1.00 0.00 H new ATOM 0 HB VAL A 15 -5.406 -3.635 11.134 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -6.010 -6.045 10.990 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -7.320 -5.106 11.744 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -7.459 -5.624 10.048 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -4.553 -4.989 9.254 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -6.002 -4.586 8.302 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -4.848 -3.308 8.750 1.00 0.00 H new ATOM 222 N LYS A 16 -6.008 -1.423 8.626 1.00 0.00 N ATOM 223 CA LYS A 16 -5.420 -0.107 8.248 1.00 0.00 C ATOM 224 C LYS A 16 -6.506 0.963 8.318 1.00 0.00 C ATOM 225 O LYS A 16 -6.384 1.945 9.024 1.00 0.00 O ATOM 226 CB LYS A 16 -4.926 -0.283 6.811 1.00 0.00 C ATOM 227 CG LYS A 16 -4.018 0.889 6.434 1.00 0.00 C ATOM 228 CD LYS A 16 -4.867 2.043 5.893 1.00 0.00 C ATOM 229 CE LYS A 16 -5.416 1.673 4.514 1.00 0.00 C ATOM 230 NZ LYS A 16 -6.519 2.645 4.269 1.00 0.00 N ATOM 0 H LYS A 16 -5.934 -2.154 7.919 1.00 0.00 H new ATOM 0 HA LYS A 16 -4.610 0.200 8.910 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -4.382 -1.223 6.715 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -5.774 -0.334 6.128 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -3.452 1.218 7.305 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -3.293 0.574 5.683 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -5.688 2.256 6.577 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -4.266 2.950 5.825 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -4.644 1.749 3.748 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -5.782 0.647 4.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -7.396 2.128 4.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -6.660 3.231 5.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -6.272 3.255 3.464 1.00 0.00 H new ATOM 244 N LYS A 17 -7.584 0.768 7.608 1.00 0.00 N ATOM 245 CA LYS A 17 -8.696 1.756 7.651 1.00 0.00 C ATOM 246 C LYS A 17 -9.532 1.516 8.910 1.00 0.00 C ATOM 247 O LYS A 17 -10.583 2.098 9.095 1.00 0.00 O ATOM 248 CB LYS A 17 -9.520 1.479 6.394 1.00 0.00 C ATOM 249 CG LYS A 17 -10.615 2.541 6.258 1.00 0.00 C ATOM 250 CD LYS A 17 -11.425 2.280 4.985 1.00 0.00 C ATOM 251 CE LYS A 17 -12.154 0.942 5.110 1.00 0.00 C ATOM 252 NZ LYS A 17 -13.537 1.216 4.626 1.00 0.00 N ATOM 0 H LYS A 17 -7.741 -0.035 6.999 1.00 0.00 H new ATOM 0 HA LYS A 17 -8.348 2.788 7.680 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -8.876 1.490 5.514 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -9.966 0.486 6.450 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -11.269 2.517 7.129 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -10.170 3.535 6.221 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -12.143 3.084 4.827 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -10.765 2.267 4.118 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -11.671 0.171 4.511 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -12.158 0.589 6.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -14.103 0.345 4.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -13.974 1.950 5.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -13.501 1.545 3.640 1.00 0.00 H new ATOM 266 N LEU A 18 -9.062 0.659 9.778 1.00 0.00 N ATOM 267 CA LEU A 18 -9.808 0.365 11.033 1.00 0.00 C ATOM 268 C LEU A 18 -10.143 1.667 11.760 1.00 0.00 C ATOM 269 O LEU A 18 -11.215 1.820 12.313 1.00 0.00 O ATOM 270 CB LEU A 18 -8.842 -0.492 11.854 1.00 0.00 C ATOM 271 CG LEU A 18 -9.541 -1.024 13.109 1.00 0.00 C ATOM 272 CD1 LEU A 18 -10.967 -1.452 12.762 1.00 0.00 C ATOM 273 CD2 LEU A 18 -8.764 -2.230 13.648 1.00 0.00 C ATOM 0 H LEU A 18 -8.186 0.147 9.669 1.00 0.00 H new ATOM 0 HA LEU A 18 -10.756 -0.143 10.857 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -8.480 -1.324 11.250 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -7.971 0.099 12.137 1.00 0.00 H new ATOM 0 HG LEU A 18 -9.574 -0.240 13.866 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -11.461 -1.830 13.657 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -11.520 -0.596 12.376 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -10.938 -2.236 12.005 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -9.258 -2.612 14.541 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -8.733 -3.011 12.889 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -7.748 -1.926 13.898 1.00 0.00 H new ATOM 285 N LYS A 19 -9.244 2.614 11.758 1.00 0.00 N ATOM 286 CA LYS A 19 -9.536 3.904 12.448 1.00 0.00 C ATOM 287 C LYS A 19 -10.809 4.522 11.863 1.00 0.00 C ATOM 288 O LYS A 19 -11.680 4.974 12.581 1.00 0.00 O ATOM 289 CB LYS A 19 -8.326 4.797 12.168 1.00 0.00 C ATOM 290 CG LYS A 19 -8.483 6.112 12.937 1.00 0.00 C ATOM 291 CD LYS A 19 -7.346 7.065 12.564 1.00 0.00 C ATOM 292 CE LYS A 19 -7.469 8.347 13.391 1.00 0.00 C ATOM 293 NZ LYS A 19 -6.082 8.882 13.475 1.00 0.00 N ATOM 0 H LYS A 19 -8.328 2.552 11.313 1.00 0.00 H new ATOM 0 HA LYS A 19 -9.698 3.776 13.518 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -7.408 4.292 12.470 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -8.244 4.994 11.099 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -9.445 6.569 12.704 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -8.473 5.921 14.010 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -6.383 6.590 12.749 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -7.387 7.299 11.500 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -8.140 9.062 12.915 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -7.874 8.141 14.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -6.083 9.763 14.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -5.468 8.183 13.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -5.726 9.075 12.517 1.00 0.00 H new ATOM 307 N ASP A 20 -10.926 4.536 10.563 1.00 0.00 N ATOM 308 CA ASP A 20 -12.144 5.112 9.925 1.00 0.00 C ATOM 309 C ASP A 20 -13.126 3.990 9.577 1.00 0.00 C ATOM 310 O ASP A 20 -12.841 3.137 8.759 1.00 0.00 O ATOM 311 CB ASP A 20 -11.641 5.800 8.657 1.00 0.00 C ATOM 312 CG ASP A 20 -12.804 6.522 7.973 1.00 0.00 C ATOM 313 OD1 ASP A 20 -13.884 6.532 8.541 1.00 0.00 O ATOM 314 OD2 ASP A 20 -12.594 7.053 6.895 1.00 0.00 O ATOM 0 H ASP A 20 -10.229 4.172 9.914 1.00 0.00 H new ATOM 0 HA ASP A 20 -12.669 5.808 10.579 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -10.853 6.511 8.904 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -11.206 5.065 7.980 1.00 0.00 H new ATOM 319 N LEU A 21 -14.273 3.974 10.198 1.00 0.00 N ATOM 320 CA LEU A 21 -15.262 2.897 9.905 1.00 0.00 C ATOM 321 C LEU A 21 -16.306 3.382 8.893 1.00 0.00 C ATOM 322 O LEU A 21 -16.884 4.441 9.040 1.00 0.00 O ATOM 323 CB LEU A 21 -15.921 2.592 11.250 1.00 0.00 C ATOM 324 CG LEU A 21 -16.798 1.345 11.117 1.00 0.00 C ATOM 325 CD1 LEU A 21 -15.912 0.124 10.863 1.00 0.00 C ATOM 326 CD2 LEU A 21 -17.592 1.140 12.409 1.00 0.00 C ATOM 0 H LEU A 21 -14.568 4.658 10.894 1.00 0.00 H new ATOM 0 HA LEU A 21 -14.791 2.016 9.468 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -15.159 2.434 12.013 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -16.524 3.441 11.573 1.00 0.00 H new ATOM 0 HG LEU A 21 -17.488 1.473 10.283 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -16.536 -0.765 10.768 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -15.346 0.270 9.943 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -15.222 -0.004 11.697 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -18.217 0.252 12.315 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -16.902 1.012 13.243 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -18.223 2.010 12.590 1.00 0.00 H new ATOM 518 N ARG A 33 -2.067 0.101 0.841 1.00 0.00 N ATOM 519 CA ARG A 33 -2.878 0.571 2.002 1.00 0.00 C ATOM 520 C ARG A 33 -1.969 1.174 3.076 1.00 0.00 C ATOM 521 O ARG A 33 -0.968 0.598 3.452 1.00 0.00 O ATOM 522 CB ARG A 33 -3.574 -0.684 2.530 1.00 0.00 C ATOM 523 CG ARG A 33 -4.365 -1.343 1.399 1.00 0.00 C ATOM 524 CD ARG A 33 -5.439 -0.378 0.897 1.00 0.00 C ATOM 525 NE ARG A 33 -6.369 -0.205 2.050 1.00 0.00 N ATOM 526 CZ ARG A 33 -7.548 0.322 1.865 1.00 0.00 C ATOM 527 NH1 ARG A 33 -8.619 -0.410 2.007 1.00 0.00 N ATOM 528 NH2 ARG A 33 -7.657 1.580 1.538 1.00 0.00 N ATOM 0 HA ARG A 33 -3.591 1.346 1.721 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -2.837 -1.382 2.927 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -4.242 -0.424 3.352 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -3.695 -1.615 0.583 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -4.826 -2.265 1.753 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -5.004 0.574 0.594 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -5.958 -0.782 0.028 1.00 0.00 H new ATOM 0 HE ARG A 33 -6.083 -0.499 2.984 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -8.534 -1.394 2.263 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -9.541 0.002 1.862 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -6.820 2.152 1.427 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -8.579 1.991 1.394 1.00 0.00 H new ATOM 542 N ASN A 34 -2.311 2.332 3.573 1.00 0.00 N ATOM 543 CA ASN A 34 -1.470 2.972 4.624 1.00 0.00 C ATOM 544 C ASN A 34 -2.251 4.095 5.312 1.00 0.00 C ATOM 545 O ASN A 34 -3.262 4.554 4.817 1.00 0.00 O ATOM 546 CB ASN A 34 -0.262 3.537 3.877 1.00 0.00 C ATOM 547 CG ASN A 34 -0.711 4.696 2.985 1.00 0.00 C ATOM 548 OD1 ASN A 34 -1.072 5.749 3.473 1.00 0.00 O ATOM 549 ND2 ASN A 34 -0.705 4.545 1.690 1.00 0.00 N ATOM 0 H ASN A 34 -3.137 2.862 3.296 1.00 0.00 H new ATOM 0 HA ASN A 34 -1.173 2.268 5.402 1.00 0.00 H new ATOM 0 HB2 ASN A 34 0.490 3.881 4.587 1.00 0.00 H new ATOM 0 HB3 ASN A 34 0.203 2.758 3.273 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -1.003 5.311 1.086 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -0.402 3.661 1.281 1.00 0.00 H new ATOM 619 N PRO A 39 -1.310 2.271 15.073 1.00 0.00 N ATOM 620 CA PRO A 39 -0.855 1.482 16.243 1.00 0.00 C ATOM 621 C PRO A 39 -0.564 2.402 17.432 1.00 0.00 C ATOM 622 O PRO A 39 -0.124 3.522 17.271 1.00 0.00 O ATOM 623 CB PRO A 39 0.429 0.827 15.729 1.00 0.00 C ATOM 624 CG PRO A 39 0.661 1.269 14.272 1.00 0.00 C ATOM 625 CD PRO A 39 -0.435 2.267 13.877 1.00 0.00 C ATOM 0 HA PRO A 39 -1.592 0.762 16.599 1.00 0.00 H new ATOM 0 HB2 PRO A 39 1.276 1.117 16.351 1.00 0.00 H new ATOM 0 HB3 PRO A 39 0.348 -0.259 15.786 1.00 0.00 H new ATOM 0 HG2 PRO A 39 1.644 1.728 14.169 1.00 0.00 H new ATOM 0 HG3 PRO A 39 0.642 0.405 13.608 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -0.027 3.256 13.669 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -0.971 1.949 12.983 1.00 0.00 H new ATOM 633 N GLY A 40 -0.808 1.935 18.627 1.00 0.00 N ATOM 634 CA GLY A 40 -0.545 2.781 19.824 1.00 0.00 C ATOM 635 C GLY A 40 -1.874 3.208 20.450 1.00 0.00 C ATOM 636 O GLY A 40 -1.909 3.993 21.377 1.00 0.00 O ATOM 0 H GLY A 40 -1.178 1.005 18.825 1.00 0.00 H new ATOM 0 HA2 GLY A 40 0.050 2.227 20.550 1.00 0.00 H new ATOM 0 HA3 GLY A 40 0.035 3.660 19.541 1.00 0.00 H new ATOM 640 N GLU A 41 -2.969 2.698 19.955 1.00 0.00 N ATOM 641 CA GLU A 41 -4.291 3.081 20.527 1.00 0.00 C ATOM 642 C GLU A 41 -5.185 1.846 20.673 1.00 0.00 C ATOM 643 O GLU A 41 -6.150 1.690 19.951 1.00 0.00 O ATOM 644 CB GLU A 41 -4.893 4.064 19.522 1.00 0.00 C ATOM 645 CG GLU A 41 -4.652 3.556 18.098 1.00 0.00 C ATOM 646 CD GLU A 41 -5.928 3.730 17.271 1.00 0.00 C ATOM 647 OE1 GLU A 41 -6.103 4.798 16.709 1.00 0.00 O ATOM 648 OE2 GLU A 41 -6.705 2.792 17.213 1.00 0.00 O ATOM 0 H GLU A 41 -3.005 2.034 19.181 1.00 0.00 H new ATOM 0 HA GLU A 41 -4.196 3.522 21.519 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -5.962 4.175 19.703 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -4.444 5.049 19.648 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -3.830 4.106 17.639 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -4.360 2.506 18.120 1.00 0.00 H new ATOM 655 N PRO A 42 -4.835 1.007 21.613 1.00 0.00 N ATOM 656 CA PRO A 42 -5.612 -0.227 21.868 1.00 0.00 C ATOM 657 C PRO A 42 -7.043 0.124 22.287 1.00 0.00 C ATOM 658 O PRO A 42 -7.284 1.135 22.915 1.00 0.00 O ATOM 659 CB PRO A 42 -4.843 -0.875 23.024 1.00 0.00 C ATOM 660 CG PRO A 42 -3.644 0.024 23.386 1.00 0.00 C ATOM 661 CD PRO A 42 -3.647 1.250 22.465 1.00 0.00 C ATOM 0 HA PRO A 42 -5.706 -0.877 20.998 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -5.495 -1.001 23.888 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -4.498 -1.868 22.738 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -3.708 0.336 24.429 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -2.711 -0.529 23.275 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -3.734 2.180 23.027 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -2.732 1.318 21.876 1.00 0.00 H new ATOM 669 N VAL A 43 -7.994 -0.699 21.942 1.00 0.00 N ATOM 670 CA VAL A 43 -9.405 -0.402 22.321 1.00 0.00 C ATOM 671 C VAL A 43 -10.243 -1.683 22.306 1.00 0.00 C ATOM 672 O VAL A 43 -11.061 -1.891 21.433 1.00 0.00 O ATOM 673 CB VAL A 43 -9.899 0.578 21.256 1.00 0.00 C ATOM 674 CG1 VAL A 43 -9.859 -0.099 19.884 1.00 0.00 C ATOM 675 CG2 VAL A 43 -11.334 1.001 21.576 1.00 0.00 C ATOM 0 H VAL A 43 -7.857 -1.562 21.416 1.00 0.00 H new ATOM 0 HA VAL A 43 -9.485 0.012 23.326 1.00 0.00 H new ATOM 0 HB VAL A 43 -9.256 1.458 21.246 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -10.211 0.598 19.124 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -8.836 -0.399 19.656 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -10.501 -0.979 19.894 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -11.685 1.699 20.817 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -11.979 0.122 21.587 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -11.362 1.483 22.553 1.00 0.00 H new ATOM 685 N VAL A 44 -10.048 -2.541 23.271 1.00 0.00 N ATOM 686 CA VAL A 44 -10.836 -3.806 23.313 1.00 0.00 C ATOM 687 C VAL A 44 -11.500 -3.968 24.686 1.00 0.00 C ATOM 688 O VAL A 44 -11.077 -4.778 25.486 1.00 0.00 O ATOM 689 CB VAL A 44 -9.816 -4.921 23.080 1.00 0.00 C ATOM 690 CG1 VAL A 44 -10.432 -6.265 23.470 1.00 0.00 C ATOM 691 CG2 VAL A 44 -9.422 -4.951 21.602 1.00 0.00 C ATOM 0 H VAL A 44 -9.378 -2.421 24.031 1.00 0.00 H new ATOM 0 HA VAL A 44 -11.631 -3.820 22.568 1.00 0.00 H new ATOM 0 HB VAL A 44 -8.931 -4.736 23.689 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -9.705 -7.060 23.304 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -10.713 -6.244 24.523 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -11.317 -6.450 22.861 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -8.695 -5.746 21.435 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -10.307 -5.135 20.993 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -8.983 -3.993 21.323 1.00 0.00 H new ATOM 753 N CYS A 48 -15.606 -5.547 21.301 1.00 0.00 N ATOM 754 CA CYS A 48 -14.941 -4.910 20.126 1.00 0.00 C ATOM 755 C CYS A 48 -15.374 -3.445 20.003 1.00 0.00 C ATOM 756 O CYS A 48 -16.545 -3.139 19.907 1.00 0.00 O ATOM 757 CB CYS A 48 -15.416 -5.716 18.917 1.00 0.00 C ATOM 758 SG CYS A 48 -14.122 -6.883 18.426 1.00 0.00 S ATOM 0 HA CYS A 48 -13.855 -4.912 20.214 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -16.332 -6.254 19.162 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -15.651 -5.047 18.089 1.00 0.00 H new ATOM 763 N SER A 49 -14.436 -2.538 20.008 1.00 0.00 N ATOM 764 CA SER A 49 -14.797 -1.094 19.894 1.00 0.00 C ATOM 765 C SER A 49 -15.504 -0.824 18.567 1.00 0.00 C ATOM 766 O SER A 49 -16.594 -0.290 18.531 1.00 0.00 O ATOM 767 CB SER A 49 -13.464 -0.347 19.954 1.00 0.00 C ATOM 768 OG SER A 49 -12.714 -0.620 18.780 1.00 0.00 O ATOM 0 H SER A 49 -13.438 -2.732 20.086 1.00 0.00 H new ATOM 0 HA SER A 49 -15.479 -0.777 20.683 1.00 0.00 H new ATOM 0 HB2 SER A 49 -13.640 0.725 20.045 1.00 0.00 H new ATOM 0 HB3 SER A 49 -12.903 -0.654 20.836 1.00 0.00 H new ATOM 0 HG SER A 49 -12.270 0.200 18.477 1.00 0.00 H new ATOM 774 N ASN A 50 -14.889 -1.185 17.477 1.00 0.00 N ATOM 775 CA ASN A 50 -15.516 -0.950 16.142 1.00 0.00 C ATOM 776 C ASN A 50 -16.559 -2.036 15.842 1.00 0.00 C ATOM 777 O ASN A 50 -16.213 -3.181 15.626 1.00 0.00 O ATOM 778 CB ASN A 50 -14.358 -1.033 15.148 1.00 0.00 C ATOM 779 CG ASN A 50 -13.635 0.313 15.094 1.00 0.00 C ATOM 780 OD1 ASN A 50 -13.586 1.030 16.073 1.00 0.00 O ATOM 781 ND2 ASN A 50 -13.065 0.691 13.981 1.00 0.00 N ATOM 0 H ASN A 50 -13.974 -1.635 17.450 1.00 0.00 H new ATOM 0 HA ASN A 50 -16.035 0.007 16.092 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -13.664 -1.819 15.447 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -14.732 -1.297 14.159 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -12.580 1.587 13.935 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -13.105 0.090 13.158 1.00 0.00 H new ATOM 788 N PRO A 51 -17.809 -1.642 15.835 1.00 0.00 N ATOM 789 CA PRO A 51 -18.913 -2.593 15.561 1.00 0.00 C ATOM 790 C PRO A 51 -18.780 -3.187 14.156 1.00 0.00 C ATOM 791 O PRO A 51 -19.427 -4.158 13.820 1.00 0.00 O ATOM 792 CB PRO A 51 -20.157 -1.706 15.662 1.00 0.00 C ATOM 793 CG PRO A 51 -19.715 -0.268 15.994 1.00 0.00 C ATOM 794 CD PRO A 51 -18.184 -0.231 16.094 1.00 0.00 C ATOM 0 HA PRO A 51 -18.932 -3.444 16.242 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -20.710 -1.724 14.723 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -20.828 -2.083 16.434 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -20.059 0.420 15.222 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -20.162 0.057 16.933 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -17.746 0.446 15.361 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -17.850 0.104 17.076 1.00 0.00 H new ATOM 802 N ASN A 52 -17.952 -2.608 13.332 1.00 0.00 N ATOM 803 CA ASN A 52 -17.791 -3.142 11.950 1.00 0.00 C ATOM 804 C ASN A 52 -16.312 -3.375 11.633 1.00 0.00 C ATOM 805 O ASN A 52 -15.881 -3.230 10.506 1.00 0.00 O ATOM 806 CB ASN A 52 -18.370 -2.061 11.039 1.00 0.00 C ATOM 807 CG ASN A 52 -19.864 -1.901 11.327 1.00 0.00 C ATOM 808 OD1 ASN A 52 -20.497 -2.806 11.834 1.00 0.00 O ATOM 809 ND2 ASN A 52 -20.458 -0.780 11.024 1.00 0.00 N ATOM 0 H ASN A 52 -17.382 -1.792 13.554 1.00 0.00 H new ATOM 0 HA ASN A 52 -18.294 -4.100 11.820 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -17.853 -1.116 11.204 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -18.217 -2.330 9.994 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -21.454 -0.663 11.213 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -19.927 -0.020 10.598 1.00 0.00 H new ATOM 816 N PHE A 53 -15.533 -3.752 12.610 1.00 0.00 N ATOM 817 CA PHE A 53 -14.089 -4.010 12.340 1.00 0.00 C ATOM 818 C PHE A 53 -13.944 -5.402 11.726 1.00 0.00 C ATOM 819 O PHE A 53 -14.916 -6.121 11.611 1.00 0.00 O ATOM 820 CB PHE A 53 -13.392 -3.915 13.705 1.00 0.00 C ATOM 821 CG PHE A 53 -13.381 -5.262 14.394 1.00 0.00 C ATOM 822 CD1 PHE A 53 -14.568 -5.992 14.529 1.00 0.00 C ATOM 823 CD2 PHE A 53 -12.182 -5.777 14.906 1.00 0.00 C ATOM 824 CE1 PHE A 53 -14.555 -7.235 15.174 1.00 0.00 C ATOM 825 CE2 PHE A 53 -12.170 -7.022 15.550 1.00 0.00 C ATOM 826 CZ PHE A 53 -13.356 -7.750 15.684 1.00 0.00 C ATOM 0 H PHE A 53 -15.830 -3.892 13.576 1.00 0.00 H new ATOM 0 HA PHE A 53 -13.649 -3.301 11.639 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -12.370 -3.560 13.573 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -13.905 -3.185 14.331 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -15.493 -5.597 14.136 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -11.266 -5.214 14.804 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -15.471 -7.798 15.278 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -11.245 -7.419 15.942 1.00 0.00 H new ATOM 0 HZ PHE A 53 -13.348 -8.709 16.180 1.00 0.00 H new ATOM 836 N PRO A 54 -12.741 -5.748 11.354 1.00 0.00 N ATOM 837 CA PRO A 54 -12.497 -7.075 10.758 1.00 0.00 C ATOM 838 C PRO A 54 -12.976 -8.160 11.722 1.00 0.00 C ATOM 839 O PRO A 54 -12.195 -8.808 12.390 1.00 0.00 O ATOM 840 CB PRO A 54 -10.977 -7.087 10.574 1.00 0.00 C ATOM 841 CG PRO A 54 -10.413 -5.735 11.061 1.00 0.00 C ATOM 842 CD PRO A 54 -11.579 -4.848 11.516 1.00 0.00 C ATOM 0 HA PRO A 54 -13.023 -7.261 9.822 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -10.534 -7.907 11.138 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -10.724 -7.248 9.526 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -9.715 -5.892 11.883 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -9.858 -5.247 10.260 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -11.461 -4.518 12.548 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -11.671 -3.951 10.904 1.00 0.00 H new ATOM 850 N GLU A 55 -14.267 -8.337 11.811 1.00 0.00 N ATOM 851 CA GLU A 55 -14.831 -9.350 12.742 1.00 0.00 C ATOM 852 C GLU A 55 -13.969 -10.611 12.742 1.00 0.00 C ATOM 853 O GLU A 55 -13.901 -11.324 13.723 1.00 0.00 O ATOM 854 CB GLU A 55 -16.230 -9.636 12.208 1.00 0.00 C ATOM 855 CG GLU A 55 -16.949 -10.599 13.154 1.00 0.00 C ATOM 856 CD GLU A 55 -18.320 -10.953 12.575 1.00 0.00 C ATOM 857 OE1 GLU A 55 -18.625 -10.477 11.494 1.00 0.00 O ATOM 858 OE2 GLU A 55 -19.041 -11.694 13.223 1.00 0.00 O ATOM 0 H GLU A 55 -14.959 -7.817 11.272 1.00 0.00 H new ATOM 0 HA GLU A 55 -14.858 -8.999 13.774 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -16.794 -8.707 12.119 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -16.168 -10.068 11.209 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -16.355 -11.503 13.290 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -17.064 -10.142 14.137 1.00 0.00 H new ATOM 865 N GLU A 56 -13.284 -10.883 11.666 1.00 0.00 N ATOM 866 CA GLU A 56 -12.407 -12.084 11.647 1.00 0.00 C ATOM 867 C GLU A 56 -11.463 -12.020 12.850 1.00 0.00 C ATOM 868 O GLU A 56 -10.879 -13.004 13.256 1.00 0.00 O ATOM 869 CB GLU A 56 -11.629 -11.992 10.333 1.00 0.00 C ATOM 870 CG GLU A 56 -12.601 -12.123 9.158 1.00 0.00 C ATOM 871 CD GLU A 56 -11.814 -12.131 7.846 1.00 0.00 C ATOM 872 OE1 GLU A 56 -10.619 -11.892 7.893 1.00 0.00 O ATOM 873 OE2 GLU A 56 -12.421 -12.373 6.815 1.00 0.00 O ATOM 0 H GLU A 56 -13.293 -10.331 10.808 1.00 0.00 H new ATOM 0 HA GLU A 56 -12.959 -13.022 11.709 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -11.099 -11.041 10.277 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -10.877 -12.779 10.287 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -13.181 -13.041 9.252 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -13.310 -11.295 9.164 1.00 0.00 H new ATOM 880 N LEU A 57 -11.329 -10.856 13.431 1.00 0.00 N ATOM 881 CA LEU A 57 -10.446 -10.701 14.623 1.00 0.00 C ATOM 882 C LEU A 57 -11.279 -10.825 15.901 1.00 0.00 C ATOM 883 O LEU A 57 -10.806 -10.564 16.990 1.00 0.00 O ATOM 884 CB LEU A 57 -9.859 -9.293 14.509 1.00 0.00 C ATOM 885 CG LEU A 57 -9.306 -9.072 13.101 1.00 0.00 C ATOM 886 CD1 LEU A 57 -8.802 -7.634 12.977 1.00 0.00 C ATOM 887 CD2 LEU A 57 -8.150 -10.036 12.845 1.00 0.00 C ATOM 0 H LEU A 57 -11.797 -10.002 13.128 1.00 0.00 H new ATOM 0 HA LEU A 57 -9.667 -11.462 14.663 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -10.627 -8.551 14.728 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -9.067 -9.159 15.245 1.00 0.00 H new ATOM 0 HG LEU A 57 -10.094 -9.251 12.370 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -8.407 -7.472 11.974 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -9.625 -6.943 13.158 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -8.014 -7.460 13.710 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -7.758 -9.876 11.841 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -7.360 -9.859 13.575 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -8.505 -11.062 12.936 1.00 0.00 H new ATOM 899 N LYS A 58 -12.521 -11.216 15.776 1.00 0.00 N ATOM 900 CA LYS A 58 -13.394 -11.354 16.979 1.00 0.00 C ATOM 901 C LYS A 58 -12.610 -11.950 18.150 1.00 0.00 C ATOM 902 O LYS A 58 -12.613 -11.398 19.233 1.00 0.00 O ATOM 903 CB LYS A 58 -14.513 -12.302 16.548 1.00 0.00 C ATOM 904 CG LYS A 58 -15.867 -11.628 16.779 1.00 0.00 C ATOM 905 CD LYS A 58 -16.939 -12.340 15.950 1.00 0.00 C ATOM 906 CE LYS A 58 -17.276 -13.685 16.598 1.00 0.00 C ATOM 907 NZ LYS A 58 -18.601 -13.475 17.247 1.00 0.00 N ATOM 0 H LYS A 58 -12.969 -11.446 14.889 1.00 0.00 H new ATOM 0 HA LYS A 58 -13.777 -10.391 17.317 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -14.399 -12.562 15.496 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -14.456 -13.231 17.115 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -16.127 -11.663 17.837 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -15.814 -10.576 16.499 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -17.834 -11.721 15.885 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -16.583 -12.494 14.931 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -17.321 -14.481 15.855 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -16.519 -13.973 17.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -18.902 -14.354 17.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -18.525 -12.716 17.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -19.302 -13.209 16.527 1.00 0.00 H new ATOM 921 N PRO A 59 -11.958 -13.058 17.906 1.00 0.00 N ATOM 922 CA PRO A 59 -11.168 -13.712 18.969 1.00 0.00 C ATOM 923 C PRO A 59 -10.162 -12.721 19.559 1.00 0.00 C ATOM 924 O PRO A 59 -9.967 -12.665 20.758 1.00 0.00 O ATOM 925 CB PRO A 59 -10.474 -14.853 18.221 1.00 0.00 C ATOM 926 CG PRO A 59 -10.915 -14.813 16.743 1.00 0.00 C ATOM 927 CD PRO A 59 -11.968 -13.709 16.574 1.00 0.00 C ATOM 0 HA PRO A 59 -11.759 -14.066 19.814 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -9.391 -14.751 18.296 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -10.735 -15.812 18.668 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -10.058 -14.620 16.098 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -11.327 -15.777 16.445 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -11.703 -13.012 15.779 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -12.949 -14.116 16.327 1.00 0.00 H new ATOM 935 N LEU A 60 -9.522 -11.937 18.734 1.00 0.00 N ATOM 936 CA LEU A 60 -8.538 -10.954 19.262 1.00 0.00 C ATOM 937 C LEU A 60 -9.229 -9.976 20.216 1.00 0.00 C ATOM 938 O LEU A 60 -8.668 -9.564 21.211 1.00 0.00 O ATOM 939 CB LEU A 60 -8.015 -10.222 18.026 1.00 0.00 C ATOM 940 CG LEU A 60 -7.234 -11.202 17.148 1.00 0.00 C ATOM 941 CD1 LEU A 60 -6.604 -10.450 15.974 1.00 0.00 C ATOM 942 CD2 LEU A 60 -6.135 -11.862 17.980 1.00 0.00 C ATOM 0 H LEU A 60 -9.639 -11.936 17.721 1.00 0.00 H new ATOM 0 HA LEU A 60 -7.735 -11.430 19.825 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -8.846 -9.795 17.464 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -7.373 -9.393 18.325 1.00 0.00 H new ATOM 0 HG LEU A 60 -7.911 -11.966 16.765 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -6.048 -11.150 15.350 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -7.388 -9.979 15.381 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -5.926 -9.685 16.353 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -5.577 -12.561 17.357 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -5.459 -11.097 18.362 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -6.584 -12.400 18.815 1.00 0.00 H new ATOM 954 N CYS A 61 -10.447 -9.605 19.924 1.00 0.00 N ATOM 955 CA CYS A 61 -11.169 -8.655 20.818 1.00 0.00 C ATOM 956 C CYS A 61 -11.467 -9.317 22.165 1.00 0.00 C ATOM 957 O CYS A 61 -11.560 -8.659 23.183 1.00 0.00 O ATOM 958 CB CYS A 61 -12.470 -8.329 20.084 1.00 0.00 C ATOM 959 SG CYS A 61 -12.089 -7.494 18.524 1.00 0.00 S ATOM 0 H CYS A 61 -10.972 -9.918 19.107 1.00 0.00 H new ATOM 0 HA CYS A 61 -10.582 -7.760 21.026 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -13.031 -9.244 19.892 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -13.101 -7.693 20.705 1.00 0.00 H new ATOM 964 N LYS A 62 -11.612 -10.613 22.182 1.00 0.00 N ATOM 965 CA LYS A 62 -11.897 -11.311 23.466 1.00 0.00 C ATOM 966 C LYS A 62 -10.612 -11.944 23.989 1.00 0.00 C ATOM 967 O LYS A 62 -10.632 -12.906 24.730 1.00 0.00 O ATOM 968 CB LYS A 62 -12.924 -12.389 23.118 1.00 0.00 C ATOM 969 CG LYS A 62 -14.184 -11.732 22.551 1.00 0.00 C ATOM 970 CD LYS A 62 -15.234 -12.807 22.265 1.00 0.00 C ATOM 971 CE LYS A 62 -16.442 -12.170 21.574 1.00 0.00 C ATOM 972 NZ LYS A 62 -17.140 -13.304 20.905 1.00 0.00 N ATOM 0 H LYS A 62 -11.546 -11.218 21.363 1.00 0.00 H new ATOM 0 HA LYS A 62 -12.271 -10.638 24.238 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -12.505 -13.084 22.390 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -13.172 -12.969 24.006 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -14.578 -11.003 23.260 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -13.944 -11.190 21.636 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -14.809 -13.586 21.632 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -15.543 -13.285 23.195 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -17.093 -11.674 22.294 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -16.132 -11.415 20.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -17.982 -12.949 20.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -16.497 -13.752 20.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -17.429 -14.003 21.619 1.00 0.00 H new ATOM 986 N GLU A 63 -9.491 -11.413 23.590 1.00 0.00 N ATOM 987 CA GLU A 63 -8.192 -11.979 24.039 1.00 0.00 C ATOM 988 C GLU A 63 -7.455 -10.986 24.939 1.00 0.00 C ATOM 989 O GLU A 63 -7.499 -9.794 24.713 1.00 0.00 O ATOM 990 CB GLU A 63 -7.408 -12.195 22.747 1.00 0.00 C ATOM 991 CG GLU A 63 -7.239 -13.689 22.465 1.00 0.00 C ATOM 992 CD GLU A 63 -8.410 -14.480 23.060 1.00 0.00 C ATOM 993 OE1 GLU A 63 -9.526 -14.276 22.612 1.00 0.00 O ATOM 994 OE2 GLU A 63 -8.168 -15.275 23.953 1.00 0.00 O ATOM 0 H GLU A 63 -9.420 -10.607 22.969 1.00 0.00 H new ATOM 0 HA GLU A 63 -8.317 -12.895 24.616 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -7.928 -11.719 21.916 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -6.430 -11.721 22.825 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -7.186 -13.859 21.390 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -6.300 -14.042 22.890 1.00 0.00 H new ATOM 1001 N PRO A 64 -6.785 -11.514 25.928 1.00 0.00 N ATOM 1002 CA PRO A 64 -6.015 -10.666 26.858 1.00 0.00 C ATOM 1003 C PRO A 64 -4.896 -9.948 26.100 1.00 0.00 C ATOM 1004 O PRO A 64 -4.511 -8.845 26.437 1.00 0.00 O ATOM 1005 CB PRO A 64 -5.447 -11.684 27.852 1.00 0.00 C ATOM 1006 CG PRO A 64 -5.922 -13.092 27.442 1.00 0.00 C ATOM 1007 CD PRO A 64 -6.765 -12.976 26.166 1.00 0.00 C ATOM 0 HA PRO A 64 -6.603 -9.886 27.341 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -4.358 -11.639 27.858 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -5.781 -11.452 28.863 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -5.066 -13.744 27.271 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -6.509 -13.541 28.243 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -6.317 -13.517 25.333 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -7.768 -13.379 26.304 1.00 0.00 H new ATOM 1015 N ASN A 65 -4.365 -10.572 25.082 1.00 0.00 N ATOM 1016 CA ASN A 65 -3.263 -9.927 24.307 1.00 0.00 C ATOM 1017 C ASN A 65 -3.831 -9.032 23.200 1.00 0.00 C ATOM 1018 O ASN A 65 -3.098 -8.437 22.437 1.00 0.00 O ATOM 1019 CB ASN A 65 -2.476 -11.090 23.703 1.00 0.00 C ATOM 1020 CG ASN A 65 -1.955 -11.987 24.827 1.00 0.00 C ATOM 1021 OD1 ASN A 65 -2.025 -13.197 24.736 1.00 0.00 O ATOM 1022 ND2 ASN A 65 -1.435 -11.442 25.892 1.00 0.00 N ATOM 0 H ASN A 65 -4.645 -11.496 24.754 1.00 0.00 H new ATOM 0 HA ASN A 65 -2.641 -9.289 24.934 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -3.113 -11.664 23.030 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -1.644 -10.711 23.109 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -1.087 -12.031 26.648 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -1.376 -10.427 25.968 1.00 0.00 H new ATOM 1029 N ALA A 66 -5.129 -8.928 23.106 1.00 0.00 N ATOM 1030 CA ALA A 66 -5.728 -8.068 22.046 1.00 0.00 C ATOM 1031 C ALA A 66 -5.026 -6.709 22.014 1.00 0.00 C ATOM 1032 O ALA A 66 -4.729 -6.177 20.964 1.00 0.00 O ATOM 1033 CB ALA A 66 -7.192 -7.906 22.446 1.00 0.00 C ATOM 0 H ALA A 66 -5.798 -9.399 23.715 1.00 0.00 H new ATOM 0 HA ALA A 66 -5.625 -8.504 21.052 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -7.703 -7.283 21.712 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -7.669 -8.885 22.485 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -7.251 -7.434 23.427 1.00 0.00 H new ATOM 1039 N GLN A 67 -4.761 -6.144 23.160 1.00 0.00 N ATOM 1040 CA GLN A 67 -4.079 -4.819 23.197 1.00 0.00 C ATOM 1041 C GLN A 67 -2.754 -4.888 22.434 1.00 0.00 C ATOM 1042 O GLN A 67 -2.400 -3.984 21.704 1.00 0.00 O ATOM 1043 CB GLN A 67 -3.834 -4.543 24.680 1.00 0.00 C ATOM 1044 CG GLN A 67 -5.175 -4.353 25.391 1.00 0.00 C ATOM 1045 CD GLN A 67 -4.930 -4.064 26.874 1.00 0.00 C ATOM 1046 OE1 GLN A 67 -3.822 -4.190 27.355 1.00 0.00 O ATOM 1047 NE2 GLN A 67 -5.927 -3.677 27.624 1.00 0.00 N ATOM 0 H GLN A 67 -4.987 -6.542 24.072 1.00 0.00 H new ATOM 0 HA GLN A 67 -4.672 -4.033 22.730 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -3.286 -5.371 25.129 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -3.218 -3.652 24.798 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -5.727 -3.531 24.936 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -5.787 -5.248 25.280 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -6.858 -3.571 27.220 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -5.775 -3.481 28.613 1.00 0.00 H new ATOM 1056 N GLU A 68 -2.018 -5.955 22.595 1.00 0.00 N ATOM 1057 CA GLU A 68 -0.719 -6.079 21.874 1.00 0.00 C ATOM 1058 C GLU A 68 -0.959 -6.518 20.428 1.00 0.00 C ATOM 1059 O GLU A 68 -0.266 -6.103 19.519 1.00 0.00 O ATOM 1060 CB GLU A 68 0.060 -7.145 22.642 1.00 0.00 C ATOM 1061 CG GLU A 68 0.371 -6.631 24.048 1.00 0.00 C ATOM 1062 CD GLU A 68 1.199 -7.674 24.803 1.00 0.00 C ATOM 1063 OE1 GLU A 68 1.353 -8.767 24.285 1.00 0.00 O ATOM 1064 OE2 GLU A 68 1.665 -7.360 25.887 1.00 0.00 O ATOM 0 H GLU A 68 -2.260 -6.745 23.194 1.00 0.00 H new ATOM 0 HA GLU A 68 -0.176 -5.135 21.831 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -0.521 -8.065 22.699 1.00 0.00 H new ATOM 0 HB3 GLU A 68 0.985 -7.384 22.117 1.00 0.00 H new ATOM 0 HG2 GLU A 68 0.918 -5.690 23.990 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -0.555 -6.428 24.586 1.00 0.00 H new ATOM 1071 N ILE A 69 -1.939 -7.351 20.204 1.00 0.00 N ATOM 1072 CA ILE A 69 -2.223 -7.808 18.813 1.00 0.00 C ATOM 1073 C ILE A 69 -2.740 -6.634 17.977 1.00 0.00 C ATOM 1074 O ILE A 69 -2.288 -6.393 16.875 1.00 0.00 O ATOM 1075 CB ILE A 69 -3.302 -8.881 18.955 1.00 0.00 C ATOM 1076 CG1 ILE A 69 -2.761 -10.040 19.796 1.00 0.00 C ATOM 1077 CG2 ILE A 69 -3.693 -9.396 17.568 1.00 0.00 C ATOM 1078 CD1 ILE A 69 -3.907 -10.989 20.157 1.00 0.00 C ATOM 0 H ILE A 69 -2.554 -7.734 20.922 1.00 0.00 H new ATOM 0 HA ILE A 69 -1.335 -8.194 18.314 1.00 0.00 H new ATOM 0 HB ILE A 69 -4.177 -8.455 19.445 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -1.991 -10.577 19.242 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -2.292 -9.657 20.703 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -4.463 -10.161 17.668 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -4.077 -8.571 16.969 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -2.818 -9.823 17.078 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -3.521 -11.814 20.756 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -4.661 -10.448 20.728 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -4.355 -11.382 19.244 1.00 0.00 H new ATOM 1090 N LEU A 70 -3.687 -5.903 18.499 1.00 0.00 N ATOM 1091 CA LEU A 70 -4.240 -4.742 17.745 1.00 0.00 C ATOM 1092 C LEU A 70 -3.111 -3.798 17.315 1.00 0.00 C ATOM 1093 O LEU A 70 -2.982 -3.460 16.157 1.00 0.00 O ATOM 1094 CB LEU A 70 -5.182 -4.050 18.738 1.00 0.00 C ATOM 1095 CG LEU A 70 -5.501 -2.629 18.259 1.00 0.00 C ATOM 1096 CD1 LEU A 70 -4.348 -1.693 18.627 1.00 0.00 C ATOM 1097 CD2 LEU A 70 -5.693 -2.628 16.742 1.00 0.00 C ATOM 0 H LEU A 70 -4.102 -6.060 19.417 1.00 0.00 H new ATOM 0 HA LEU A 70 -4.755 -5.043 16.833 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -6.103 -4.624 18.838 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -4.720 -4.014 19.725 1.00 0.00 H new ATOM 0 HG LEU A 70 -6.417 -2.285 18.740 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -4.576 -0.683 18.286 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -4.214 -1.689 19.709 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -3.432 -2.039 18.149 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -5.920 -1.617 16.405 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -4.779 -2.975 16.259 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -6.517 -3.291 16.479 1.00 0.00 H new ATOM 1109 N GLN A 71 -2.295 -3.371 18.240 1.00 0.00 N ATOM 1110 CA GLN A 71 -1.178 -2.445 17.884 1.00 0.00 C ATOM 1111 C GLN A 71 -0.386 -2.985 16.685 1.00 0.00 C ATOM 1112 O GLN A 71 -0.154 -2.285 15.719 1.00 0.00 O ATOM 1113 CB GLN A 71 -0.289 -2.399 19.126 1.00 0.00 C ATOM 1114 CG GLN A 71 -1.048 -1.736 20.279 1.00 0.00 C ATOM 1115 CD GLN A 71 -0.153 -1.698 21.520 1.00 0.00 C ATOM 1116 OE1 GLN A 71 0.768 -2.481 21.643 1.00 0.00 O ATOM 1117 NE2 GLN A 71 -0.385 -0.813 22.450 1.00 0.00 N ATOM 0 H GLN A 71 -2.352 -3.622 19.227 1.00 0.00 H new ATOM 0 HA GLN A 71 -1.545 -1.458 17.601 1.00 0.00 H new ATOM 0 HB2 GLN A 71 0.011 -3.408 19.408 1.00 0.00 H new ATOM 0 HB3 GLN A 71 0.624 -1.843 18.911 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -1.345 -0.725 20.000 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -1.962 -2.289 20.493 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -1.158 -0.156 22.347 1.00 0.00 H new ATOM 0 HE22 GLN A 71 0.207 -0.778 23.280 1.00 0.00 H new ATOM 1126 N ARG A 72 0.036 -4.218 16.746 1.00 0.00 N ATOM 1127 CA ARG A 72 0.821 -4.797 15.616 1.00 0.00 C ATOM 1128 C ARG A 72 0.049 -4.669 14.298 1.00 0.00 C ATOM 1129 O ARG A 72 0.512 -4.056 13.354 1.00 0.00 O ATOM 1130 CB ARG A 72 1.013 -6.268 15.983 1.00 0.00 C ATOM 1131 CG ARG A 72 2.001 -6.380 17.146 1.00 0.00 C ATOM 1132 CD ARG A 72 2.432 -7.838 17.309 1.00 0.00 C ATOM 1133 NE ARG A 72 1.158 -8.599 17.438 1.00 0.00 N ATOM 1134 CZ ARG A 72 1.166 -9.903 17.381 1.00 0.00 C ATOM 1135 NH1 ARG A 72 2.299 -10.550 17.360 1.00 0.00 N ATOM 1136 NH2 ARG A 72 0.039 -10.560 17.347 1.00 0.00 N ATOM 0 H ARG A 72 -0.128 -4.851 17.529 1.00 0.00 H new ATOM 0 HA ARG A 72 1.770 -4.281 15.472 1.00 0.00 H new ATOM 0 HB2 ARG A 72 0.057 -6.712 16.260 1.00 0.00 H new ATOM 0 HB3 ARG A 72 1.385 -6.823 15.122 1.00 0.00 H new ATOM 0 HG2 ARG A 72 2.871 -5.751 16.960 1.00 0.00 H new ATOM 0 HG3 ARG A 72 1.539 -6.021 18.066 1.00 0.00 H new ATOM 0 HD2 ARG A 72 3.011 -8.178 16.450 1.00 0.00 H new ATOM 0 HD3 ARG A 72 3.062 -7.968 18.189 1.00 0.00 H new ATOM 0 HE ARG A 72 0.278 -8.100 17.571 1.00 0.00 H new ATOM 0 HH11 ARG A 72 3.180 -10.037 17.388 1.00 0.00 H new ATOM 0 HH12 ARG A 72 2.304 -11.569 17.315 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -0.847 -10.055 17.365 1.00 0.00 H new ATOM 0 HH22 ARG A 72 0.044 -11.579 17.302 1.00 0.00 H new ATOM 1150 N LEU A 73 -1.118 -5.247 14.224 1.00 0.00 N ATOM 1151 CA LEU A 73 -1.912 -5.162 12.964 1.00 0.00 C ATOM 1152 C LEU A 73 -1.889 -3.735 12.414 1.00 0.00 C ATOM 1153 O LEU A 73 -1.635 -3.511 11.248 1.00 0.00 O ATOM 1154 CB LEU A 73 -3.334 -5.551 13.365 1.00 0.00 C ATOM 1155 CG LEU A 73 -3.347 -6.995 13.867 1.00 0.00 C ATOM 1156 CD1 LEU A 73 -4.790 -7.425 14.140 1.00 0.00 C ATOM 1157 CD2 LEU A 73 -2.736 -7.909 12.804 1.00 0.00 C ATOM 0 H LEU A 73 -1.556 -5.774 14.979 1.00 0.00 H new ATOM 0 HA LEU A 73 -1.512 -5.810 12.184 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -3.700 -4.881 14.143 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -4.005 -5.445 12.513 1.00 0.00 H new ATOM 0 HG LEU A 73 -2.765 -7.067 14.786 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -4.801 -8.454 14.498 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -5.227 -6.773 14.896 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -5.371 -7.354 13.220 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -2.745 -8.939 13.161 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -3.318 -7.838 11.885 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -1.709 -7.602 12.607 1.00 0.00 H new ATOM 1169 N GLU A 74 -2.162 -2.768 13.246 1.00 0.00 N ATOM 1170 CA GLU A 74 -2.166 -1.354 12.773 1.00 0.00 C ATOM 1171 C GLU A 74 -0.780 -0.948 12.265 1.00 0.00 C ATOM 1172 O GLU A 74 -0.654 -0.079 11.425 1.00 0.00 O ATOM 1173 CB GLU A 74 -2.555 -0.532 13.999 1.00 0.00 C ATOM 1174 CG GLU A 74 -3.882 -1.052 14.551 1.00 0.00 C ATOM 1175 CD GLU A 74 -4.406 -0.092 15.621 1.00 0.00 C ATOM 1176 OE1 GLU A 74 -3.609 0.661 16.156 1.00 0.00 O ATOM 1177 OE2 GLU A 74 -5.596 -0.126 15.888 1.00 0.00 O ATOM 0 H GLU A 74 -2.383 -2.896 14.234 1.00 0.00 H new ATOM 0 HA GLU A 74 -2.854 -1.202 11.942 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -1.778 -0.602 14.760 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -2.646 0.521 13.732 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -4.610 -1.147 13.745 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -3.746 -2.046 14.976 1.00 0.00 H new ATOM 1184 N GLU A 75 0.262 -1.564 12.755 1.00 0.00 N ATOM 1185 CA GLU A 75 1.626 -1.197 12.278 1.00 0.00 C ATOM 1186 C GLU A 75 1.827 -1.700 10.849 1.00 0.00 C ATOM 1187 O GLU A 75 2.226 -0.961 9.971 1.00 0.00 O ATOM 1188 CB GLU A 75 2.590 -1.895 13.236 1.00 0.00 C ATOM 1189 CG GLU A 75 4.022 -1.459 12.923 1.00 0.00 C ATOM 1190 CD GLU A 75 4.999 -2.231 13.812 1.00 0.00 C ATOM 1191 OE1 GLU A 75 4.541 -3.053 14.587 1.00 0.00 O ATOM 1192 OE2 GLU A 75 6.188 -1.985 13.703 1.00 0.00 O ATOM 0 H GLU A 75 0.229 -2.300 13.460 1.00 0.00 H new ATOM 0 HA GLU A 75 1.785 -0.119 12.266 1.00 0.00 H new ATOM 0 HB2 GLU A 75 2.339 -1.646 14.267 1.00 0.00 H new ATOM 0 HB3 GLU A 75 2.498 -2.977 13.138 1.00 0.00 H new ATOM 0 HG2 GLU A 75 4.247 -1.643 11.872 1.00 0.00 H new ATOM 0 HG3 GLU A 75 4.131 -0.387 13.090 1.00 0.00 H new ATOM 1199 N ILE A 76 1.542 -2.949 10.605 1.00 0.00 N ATOM 1200 CA ILE A 76 1.704 -3.488 9.225 1.00 0.00 C ATOM 1201 C ILE A 76 0.669 -2.840 8.303 1.00 0.00 C ATOM 1202 O ILE A 76 0.936 -2.548 7.154 1.00 0.00 O ATOM 1203 CB ILE A 76 1.452 -4.990 9.353 1.00 0.00 C ATOM 1204 CG1 ILE A 76 2.398 -5.576 10.403 1.00 0.00 C ATOM 1205 CG2 ILE A 76 1.703 -5.665 8.005 1.00 0.00 C ATOM 1206 CD1 ILE A 76 3.822 -5.080 10.141 1.00 0.00 C ATOM 0 H ILE A 76 1.205 -3.618 11.298 1.00 0.00 H new ATOM 0 HA ILE A 76 2.688 -3.283 8.803 1.00 0.00 H new ATOM 0 HB ILE A 76 0.420 -5.162 9.658 1.00 0.00 H new ATOM 0 HG12 ILE A 76 2.077 -5.281 11.402 1.00 0.00 H new ATOM 0 HG13 ILE A 76 2.368 -6.665 10.367 1.00 0.00 H new ATOM 0 HG21 ILE A 76 1.523 -6.736 8.096 1.00 0.00 H new ATOM 0 HG22 ILE A 76 1.030 -5.246 7.257 1.00 0.00 H new ATOM 0 HG23 ILE A 76 2.735 -5.495 7.699 1.00 0.00 H new ATOM 0 HD11 ILE A 76 4.496 -5.497 10.889 1.00 0.00 H new ATOM 0 HD12 ILE A 76 4.141 -5.397 9.148 1.00 0.00 H new ATOM 0 HD13 ILE A 76 3.845 -3.992 10.199 1.00 0.00 H new ATOM 1218 N ALA A 77 -0.507 -2.600 8.814 1.00 0.00 N ATOM 1219 CA ALA A 77 -1.565 -1.957 7.985 1.00 0.00 C ATOM 1220 C ALA A 77 -1.119 -0.552 7.581 1.00 0.00 C ATOM 1221 O ALA A 77 -1.498 -0.039 6.547 1.00 0.00 O ATOM 1222 CB ALA A 77 -2.792 -1.887 8.895 1.00 0.00 C ATOM 0 H ALA A 77 -0.781 -2.822 9.771 1.00 0.00 H new ATOM 0 HA ALA A 77 -1.771 -2.509 7.068 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -3.619 -1.424 8.356 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -3.077 -2.894 9.200 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -2.557 -1.293 9.778 1.00 0.00 H new ATOM 1228 N GLU A 78 -0.314 0.073 8.395 1.00 0.00 N ATOM 1229 CA GLU A 78 0.163 1.445 8.068 1.00 0.00 C ATOM 1230 C GLU A 78 0.996 1.428 6.783 1.00 0.00 C ATOM 1231 O GLU A 78 0.969 2.363 6.006 1.00 0.00 O ATOM 1232 CB GLU A 78 1.028 1.856 9.260 1.00 0.00 C ATOM 1233 CG GLU A 78 1.480 3.306 9.087 1.00 0.00 C ATOM 1234 CD GLU A 78 2.425 3.686 10.230 1.00 0.00 C ATOM 1235 OE1 GLU A 78 2.693 2.832 11.059 1.00 0.00 O ATOM 1236 OE2 GLU A 78 2.864 4.824 10.256 1.00 0.00 O ATOM 0 H GLU A 78 0.035 -0.309 9.274 1.00 0.00 H new ATOM 0 HA GLU A 78 -0.661 2.138 7.901 1.00 0.00 H new ATOM 0 HB2 GLU A 78 0.464 1.748 10.186 1.00 0.00 H new ATOM 0 HB3 GLU A 78 1.895 1.200 9.337 1.00 0.00 H new ATOM 0 HG2 GLU A 78 1.984 3.429 8.128 1.00 0.00 H new ATOM 0 HG3 GLU A 78 0.615 3.969 9.080 1.00 0.00 H new ATOM 1243 N ASP A 79 1.739 0.379 6.552 1.00 0.00 N ATOM 1244 CA ASP A 79 2.571 0.323 5.315 1.00 0.00 C ATOM 1245 C ASP A 79 2.984 -1.119 5.003 1.00 0.00 C ATOM 1246 O ASP A 79 3.193 -1.914 5.899 1.00 0.00 O ATOM 1247 CB ASP A 79 3.800 1.176 5.627 1.00 0.00 C ATOM 1248 CG ASP A 79 4.904 0.876 4.611 1.00 0.00 C ATOM 1249 OD1 ASP A 79 5.399 -0.239 4.616 1.00 0.00 O ATOM 1250 OD2 ASP A 79 5.236 1.766 3.846 1.00 0.00 O ATOM 0 H ASP A 79 1.806 -0.436 7.161 1.00 0.00 H new ATOM 0 HA ASP A 79 2.028 0.686 4.442 1.00 0.00 H new ATOM 0 HB2 ASP A 79 3.539 2.234 5.594 1.00 0.00 H new ATOM 0 HB3 ASP A 79 4.154 0.966 6.636 1.00 0.00 H new ATOM 1255 N PRO A 80 3.092 -1.404 3.731 1.00 0.00 N ATOM 1256 CA PRO A 80 3.490 -2.755 3.275 1.00 0.00 C ATOM 1257 C PRO A 80 4.897 -3.094 3.763 1.00 0.00 C ATOM 1258 O PRO A 80 5.869 -2.942 3.050 1.00 0.00 O ATOM 1259 CB PRO A 80 3.456 -2.620 1.751 1.00 0.00 C ATOM 1260 CG PRO A 80 3.039 -1.181 1.390 1.00 0.00 C ATOM 1261 CD PRO A 80 2.822 -0.391 2.686 1.00 0.00 C ATOM 0 HA PRO A 80 2.847 -3.550 3.651 1.00 0.00 H new ATOM 0 HB2 PRO A 80 4.436 -2.846 1.330 1.00 0.00 H new ATOM 0 HB3 PRO A 80 2.753 -3.335 1.324 1.00 0.00 H new ATOM 0 HG2 PRO A 80 3.809 -0.706 0.783 1.00 0.00 H new ATOM 0 HG3 PRO A 80 2.125 -1.190 0.796 1.00 0.00 H new ATOM 0 HD2 PRO A 80 3.500 0.459 2.761 1.00 0.00 H new ATOM 0 HD3 PRO A 80 1.808 0.003 2.756 1.00 0.00 H new ATOM 1269 N GLY A 81 5.007 -3.573 4.967 1.00 0.00 N ATOM 1270 CA GLY A 81 6.348 -3.946 5.495 1.00 0.00 C ATOM 1271 C GLY A 81 6.874 -5.124 4.674 1.00 0.00 C ATOM 1272 O GLY A 81 6.849 -5.103 3.459 1.00 0.00 O ATOM 0 H GLY A 81 4.229 -3.723 5.609 1.00 0.00 H new ATOM 0 HA2 GLY A 81 7.032 -3.100 5.427 1.00 0.00 H new ATOM 0 HA3 GLY A 81 6.280 -4.217 6.549 1.00 0.00 H new ATOM 1276 N THR A 82 7.334 -6.157 5.319 1.00 0.00 N ATOM 1277 CA THR A 82 7.838 -7.338 4.562 1.00 0.00 C ATOM 1278 C THR A 82 6.656 -8.229 4.167 1.00 0.00 C ATOM 1279 O THR A 82 6.758 -9.077 3.303 1.00 0.00 O ATOM 1280 CB THR A 82 8.761 -8.068 5.538 1.00 0.00 C ATOM 1281 OG1 THR A 82 8.017 -8.467 6.681 1.00 0.00 O ATOM 1282 CG2 THR A 82 9.896 -7.136 5.966 1.00 0.00 C ATOM 0 H THR A 82 7.384 -6.237 6.335 1.00 0.00 H new ATOM 0 HA THR A 82 8.360 -7.063 3.646 1.00 0.00 H new ATOM 0 HB THR A 82 9.182 -8.948 5.051 1.00 0.00 H new ATOM 0 HG1 THR A 82 8.558 -8.333 7.487 1.00 0.00 H new ATOM 0 HG21 THR A 82 10.553 -7.658 6.662 1.00 0.00 H new ATOM 0 HG22 THR A 82 10.466 -6.830 5.089 1.00 0.00 H new ATOM 0 HG23 THR A 82 9.479 -6.255 6.453 1.00 0.00 H new ATOM 1290 N CYS A 83 5.538 -8.033 4.806 1.00 0.00 N ATOM 1291 CA CYS A 83 4.337 -8.859 4.491 1.00 0.00 C ATOM 1292 C CYS A 83 4.069 -8.857 2.982 1.00 0.00 C ATOM 1293 O CYS A 83 3.887 -9.892 2.373 1.00 0.00 O ATOM 1294 CB CYS A 83 3.186 -8.190 5.245 1.00 0.00 C ATOM 1295 SG CYS A 83 1.843 -9.378 5.480 1.00 0.00 S ATOM 0 H CYS A 83 5.402 -7.334 5.536 1.00 0.00 H new ATOM 0 HA CYS A 83 4.465 -9.901 4.785 1.00 0.00 H new ATOM 0 HB2 CYS A 83 3.535 -7.824 6.211 1.00 0.00 H new ATOM 0 HB3 CYS A 83 2.827 -7.325 4.687 1.00 0.00 H new ATOM 1300 N GLU A 84 4.031 -7.701 2.379 1.00 0.00 N ATOM 1301 CA GLU A 84 3.760 -7.631 0.912 1.00 0.00 C ATOM 1302 C GLU A 84 4.834 -8.373 0.110 1.00 0.00 C ATOM 1303 O GLU A 84 4.552 -8.960 -0.916 1.00 0.00 O ATOM 1304 CB GLU A 84 3.784 -6.140 0.575 1.00 0.00 C ATOM 1305 CG GLU A 84 3.387 -5.949 -0.892 1.00 0.00 C ATOM 1306 CD GLU A 84 3.621 -4.495 -1.303 1.00 0.00 C ATOM 1307 OE1 GLU A 84 4.166 -3.753 -0.502 1.00 0.00 O ATOM 1308 OE2 GLU A 84 3.251 -4.147 -2.412 1.00 0.00 O ATOM 0 H GLU A 84 4.176 -6.801 2.837 1.00 0.00 H new ATOM 0 HA GLU A 84 2.809 -8.101 0.660 1.00 0.00 H new ATOM 0 HB2 GLU A 84 3.097 -5.597 1.224 1.00 0.00 H new ATOM 0 HB3 GLU A 84 4.779 -5.731 0.751 1.00 0.00 H new ATOM 0 HG2 GLU A 84 3.971 -6.615 -1.527 1.00 0.00 H new ATOM 0 HG3 GLU A 84 2.339 -6.213 -1.033 1.00 0.00 H new ATOM 1315 N ILE A 85 6.063 -8.345 0.550 1.00 0.00 N ATOM 1316 CA ILE A 85 7.136 -9.044 -0.217 1.00 0.00 C ATOM 1317 C ILE A 85 7.405 -10.431 0.375 1.00 0.00 C ATOM 1318 O ILE A 85 8.422 -11.042 0.114 1.00 0.00 O ATOM 1319 CB ILE A 85 8.368 -8.146 -0.087 1.00 0.00 C ATOM 1320 CG1 ILE A 85 8.939 -8.258 1.327 1.00 0.00 C ATOM 1321 CG2 ILE A 85 7.970 -6.694 -0.360 1.00 0.00 C ATOM 1322 CD1 ILE A 85 9.949 -7.132 1.559 1.00 0.00 C ATOM 0 H ILE A 85 6.370 -7.873 1.400 1.00 0.00 H new ATOM 0 HA ILE A 85 6.859 -9.202 -1.259 1.00 0.00 H new ATOM 0 HB ILE A 85 9.122 -8.461 -0.808 1.00 0.00 H new ATOM 0 HG12 ILE A 85 8.136 -8.198 2.061 1.00 0.00 H new ATOM 0 HG13 ILE A 85 9.421 -9.227 1.461 1.00 0.00 H new ATOM 0 HG21 ILE A 85 8.847 -6.053 -0.268 1.00 0.00 H new ATOM 0 HG22 ILE A 85 7.565 -6.611 -1.368 1.00 0.00 H new ATOM 0 HG23 ILE A 85 7.215 -6.382 0.361 1.00 0.00 H new ATOM 0 HD11 ILE A 85 10.357 -7.211 2.567 1.00 0.00 H new ATOM 0 HD12 ILE A 85 10.758 -7.213 0.833 1.00 0.00 H new ATOM 0 HD13 ILE A 85 9.453 -6.168 1.443 1.00 0.00 H new ATOM 1334 N CYS A 86 6.497 -10.936 1.165 1.00 0.00 N ATOM 1335 CA CYS A 86 6.693 -12.287 1.766 1.00 0.00 C ATOM 1336 C CYS A 86 8.062 -12.387 2.445 1.00 0.00 C ATOM 1337 O CYS A 86 8.547 -13.467 2.720 1.00 0.00 O ATOM 1338 CB CYS A 86 6.609 -13.259 0.590 1.00 0.00 C ATOM 1339 SG CYS A 86 4.930 -13.925 0.478 1.00 0.00 S ATOM 0 H CYS A 86 5.626 -10.471 1.421 1.00 0.00 H new ATOM 0 HA CYS A 86 5.949 -12.502 2.533 1.00 0.00 H new ATOM 0 HB2 CYS A 86 6.872 -12.749 -0.337 1.00 0.00 H new ATOM 0 HB3 CYS A 86 7.325 -14.070 0.722 1.00 0.00 H new ATOM 1344 N ALA A 87 8.689 -11.278 2.722 1.00 0.00 N ATOM 1345 CA ALA A 87 10.023 -11.330 3.389 1.00 0.00 C ATOM 1346 C ALA A 87 9.865 -11.859 4.815 1.00 0.00 C ATOM 1347 O ALA A 87 10.826 -12.222 5.466 1.00 0.00 O ATOM 1348 CB ALA A 87 10.519 -9.885 3.402 1.00 0.00 C ATOM 0 H ALA A 87 8.339 -10.342 2.517 1.00 0.00 H new ATOM 0 HA ALA A 87 10.722 -11.990 2.875 1.00 0.00 H new ATOM 0 HB1 ALA A 87 11.498 -9.841 3.878 1.00 0.00 H new ATOM 0 HB2 ALA A 87 10.596 -9.518 2.379 1.00 0.00 H new ATOM 0 HB3 ALA A 87 9.817 -9.264 3.958 1.00 0.00 H new ATOM 1354 N TYR A 88 8.657 -11.904 5.303 1.00 0.00 N ATOM 1355 CA TYR A 88 8.423 -12.407 6.686 1.00 0.00 C ATOM 1356 C TYR A 88 7.141 -13.244 6.729 1.00 0.00 C ATOM 1357 O TYR A 88 6.379 -13.280 5.784 1.00 0.00 O ATOM 1358 CB TYR A 88 8.271 -11.148 7.539 1.00 0.00 C ATOM 1359 CG TYR A 88 8.254 -11.524 9.001 1.00 0.00 C ATOM 1360 CD1 TYR A 88 9.414 -12.018 9.611 1.00 0.00 C ATOM 1361 CD2 TYR A 88 7.079 -11.377 9.747 1.00 0.00 C ATOM 1362 CE1 TYR A 88 9.396 -12.364 10.968 1.00 0.00 C ATOM 1363 CE2 TYR A 88 7.061 -11.722 11.103 1.00 0.00 C ATOM 1364 CZ TYR A 88 8.221 -12.216 11.714 1.00 0.00 C ATOM 1365 OH TYR A 88 8.204 -12.556 13.051 1.00 0.00 O ATOM 0 H TYR A 88 7.818 -11.613 4.802 1.00 0.00 H new ATOM 0 HA TYR A 88 9.232 -13.045 7.041 1.00 0.00 H new ATOM 0 HB2 TYR A 88 9.093 -10.460 7.340 1.00 0.00 H new ATOM 0 HB3 TYR A 88 7.350 -10.628 7.276 1.00 0.00 H new ATOM 0 HD1 TYR A 88 10.321 -12.132 9.036 1.00 0.00 H new ATOM 0 HD2 TYR A 88 6.185 -10.997 9.275 1.00 0.00 H new ATOM 0 HE1 TYR A 88 10.290 -12.745 11.439 1.00 0.00 H new ATOM 0 HE2 TYR A 88 6.154 -11.608 11.678 1.00 0.00 H new ATOM 0 HH TYR A 88 7.311 -12.391 13.419 1.00 0.00 H new ATOM 1375 N ALA A 89 6.897 -13.917 7.820 1.00 0.00 N ATOM 1376 CA ALA A 89 5.663 -14.749 7.921 1.00 0.00 C ATOM 1377 C ALA A 89 4.440 -13.853 8.147 1.00 0.00 C ATOM 1378 O ALA A 89 3.337 -14.325 8.338 1.00 0.00 O ATOM 1379 CB ALA A 89 5.894 -15.656 9.129 1.00 0.00 C ATOM 0 H ALA A 89 7.497 -13.927 8.645 1.00 0.00 H new ATOM 0 HA ALA A 89 5.475 -15.322 7.013 1.00 0.00 H new ATOM 0 HB1 ALA A 89 5.027 -16.301 9.270 1.00 0.00 H new ATOM 0 HB2 ALA A 89 6.779 -16.269 8.960 1.00 0.00 H new ATOM 0 HB3 ALA A 89 6.041 -15.045 10.020 1.00 0.00 H new ATOM 1385 N ALA A 90 4.630 -12.562 8.126 1.00 0.00 N ATOM 1386 CA ALA A 90 3.487 -11.631 8.342 1.00 0.00 C ATOM 1387 C ALA A 90 2.402 -11.853 7.283 1.00 0.00 C ATOM 1388 O ALA A 90 1.224 -11.822 7.576 1.00 0.00 O ATOM 1389 CB ALA A 90 4.089 -10.233 8.199 1.00 0.00 C ATOM 0 H ALA A 90 5.531 -12.111 7.968 1.00 0.00 H new ATOM 0 HA ALA A 90 3.014 -11.782 9.312 1.00 0.00 H new ATOM 0 HB1 ALA A 90 3.310 -9.485 8.344 1.00 0.00 H new ATOM 0 HB2 ALA A 90 4.869 -10.095 8.947 1.00 0.00 H new ATOM 0 HB3 ALA A 90 4.518 -10.122 7.203 1.00 0.00 H new ATOM 1395 N CYS A 91 2.788 -12.071 6.056 1.00 0.00 N ATOM 1396 CA CYS A 91 1.771 -12.286 4.985 1.00 0.00 C ATOM 1397 C CYS A 91 1.664 -13.772 4.631 1.00 0.00 C ATOM 1398 O CYS A 91 2.649 -14.426 4.353 1.00 0.00 O ATOM 1399 CB CYS A 91 2.285 -11.486 3.789 1.00 0.00 C ATOM 1400 SG CYS A 91 1.389 -9.916 3.689 1.00 0.00 S ATOM 0 H CYS A 91 3.760 -12.110 5.748 1.00 0.00 H new ATOM 0 HA CYS A 91 0.776 -11.968 5.296 1.00 0.00 H new ATOM 0 HB2 CYS A 91 3.354 -11.302 3.893 1.00 0.00 H new ATOM 0 HB3 CYS A 91 2.147 -12.055 2.870 1.00 0.00 H new ATOM 1405 N THR A 92 0.474 -14.307 4.638 1.00 0.00 N ATOM 1406 CA THR A 92 0.299 -15.749 4.300 1.00 0.00 C ATOM 1407 C THR A 92 -0.356 -15.895 2.924 1.00 0.00 C ATOM 1408 O THR A 92 -0.896 -14.953 2.379 1.00 0.00 O ATOM 1409 CB THR A 92 -0.619 -16.303 5.391 1.00 0.00 C ATOM 1410 OG1 THR A 92 -1.950 -15.863 5.155 1.00 0.00 O ATOM 1411 CG2 THR A 92 -0.149 -15.805 6.757 1.00 0.00 C ATOM 0 H THR A 92 -0.386 -13.808 4.863 1.00 0.00 H new ATOM 0 HA THR A 92 1.250 -16.281 4.257 1.00 0.00 H new ATOM 0 HB THR A 92 -0.588 -17.392 5.375 1.00 0.00 H new ATOM 0 HG1 THR A 92 -2.540 -16.218 5.852 1.00 0.00 H new ATOM 0 HG21 THR A 92 -0.804 -16.200 7.533 1.00 0.00 H new ATOM 0 HG22 THR A 92 0.872 -16.143 6.936 1.00 0.00 H new ATOM 0 HG23 THR A 92 -0.179 -14.716 6.777 1.00 0.00 H new ATOM 1419 N GLY A 93 -0.314 -17.071 2.359 1.00 0.00 N ATOM 1420 CA GLY A 93 -0.935 -17.281 1.020 1.00 0.00 C ATOM 1421 C GLY A 93 0.147 -17.207 -0.061 1.00 0.00 C ATOM 1422 O GLY A 93 -0.100 -17.473 -1.220 1.00 0.00 O ATOM 0 H GLY A 93 0.124 -17.897 2.767 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -1.433 -18.250 0.986 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -1.698 -16.524 0.838 1.00 0.00 H new ATOM 1426 N CYS A 94 1.345 -16.846 0.312 1.00 0.00 N ATOM 1427 CA CYS A 94 2.442 -16.753 -0.694 1.00 0.00 C ATOM 1428 C CYS A 94 2.980 -18.148 -1.020 1.00 0.00 C ATOM 1429 O CYS A 94 2.760 -19.048 -0.227 1.00 0.00 O ATOM 1430 CB CYS A 94 3.521 -15.904 -0.025 1.00 0.00 C ATOM 1431 SG CYS A 94 3.736 -14.364 -0.952 1.00 0.00 S ATOM 1432 OXT CYS A 94 3.605 -18.294 -2.059 1.00 0.00 O ATOM 0 H CYS A 94 1.611 -16.612 1.268 1.00 0.00 H new ATOM 0 HA CYS A 94 2.105 -16.316 -1.634 1.00 0.00 H new ATOM 0 HB2 CYS A 94 3.240 -15.685 1.005 1.00 0.00 H new ATOM 0 HB3 CYS A 94 4.461 -16.454 0.011 1.00 0.00 H new