USER MOD reduce.3.24.130724 H: found=0, std=0, add=601, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 596 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 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 ASN :FLIP amide:sc= 0.653 F(o=-1.1,f=0.65) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= -0.214 K(o=-0.21,f=-0.89) USER MOD Single : A 24 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 25 GLN : amide:sc= -0.248 X(o=-0.25,f=-0.4) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc=-0.00846 X(o=-0.0085,f=-0.0088) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 CYS SG : rot 180:sc= -0.152 USER MOD Single : A 40 HIS : no HD1:sc= -0.256 X(o=-0.26,f=-0.26) USER MOD Single : A 41 MET CE :methyl 164:sc= -1.82! (180deg=-2.05) USER MOD Single : A 55 THR OG1 : rot 170:sc= -5.28! USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 HIS : no HE2:sc= -3.28! C(o=-3.3!,f=-6.3!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= -0.147 K(o=-0.15,f=-0.76) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= -0.19 X(o=-0.19,f=-0.16) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -12.262 0.025 13.390 1.00 0.00 N ATOM 2 CA GLY A 1 -13.447 -0.228 14.191 1.00 0.00 C ATOM 3 C GLY A 1 -13.563 -1.713 14.543 1.00 0.00 C ATOM 4 O GLY A 1 -13.092 -2.144 15.595 1.00 0.00 O ATOM 0 H1 GLY A 1 -12.206 1.039 13.164 1.00 0.00 H new ATOM 0 H2 GLY A 1 -11.415 -0.259 13.923 1.00 0.00 H new ATOM 0 H3 GLY A 1 -12.315 -0.524 12.508 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -13.406 0.364 15.105 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -14.335 0.091 13.645 1.00 0.00 H new ATOM 8 N SER A 2 -14.194 -2.454 13.644 1.00 0.00 N ATOM 9 CA SER A 2 -14.378 -3.881 13.846 1.00 0.00 C ATOM 10 C SER A 2 -14.791 -4.546 12.532 1.00 0.00 C ATOM 11 O SER A 2 -15.308 -3.885 11.633 1.00 0.00 O ATOM 12 CB SER A 2 -15.423 -4.153 14.930 1.00 0.00 C ATOM 13 OG SER A 2 -16.732 -3.771 14.518 1.00 0.00 O ATOM 0 H SER A 2 -14.584 -2.093 12.774 1.00 0.00 H new ATOM 0 HA SER A 2 -13.430 -4.305 14.178 1.00 0.00 H new ATOM 0 HB2 SER A 2 -15.417 -5.214 15.181 1.00 0.00 H new ATOM 0 HB3 SER A 2 -15.155 -3.610 15.836 1.00 0.00 H new ATOM 0 HG SER A 2 -17.370 -3.962 15.237 1.00 0.00 H new ATOM 19 N SER A 3 -14.549 -5.847 12.463 1.00 0.00 N ATOM 20 CA SER A 3 -14.889 -6.610 11.274 1.00 0.00 C ATOM 21 C SER A 3 -15.716 -7.838 11.659 1.00 0.00 C ATOM 22 O SER A 3 -15.744 -8.232 12.824 1.00 0.00 O ATOM 23 CB SER A 3 -13.631 -7.033 10.512 1.00 0.00 C ATOM 24 OG SER A 3 -13.071 -5.957 9.766 1.00 0.00 O ATOM 0 H SER A 3 -14.121 -6.392 13.212 1.00 0.00 H new ATOM 0 HA SER A 3 -15.481 -5.973 10.617 1.00 0.00 H new ATOM 0 HB2 SER A 3 -12.890 -7.410 11.217 1.00 0.00 H new ATOM 0 HB3 SER A 3 -13.875 -7.854 9.837 1.00 0.00 H new ATOM 0 HG SER A 3 -12.269 -6.267 9.296 1.00 0.00 H new ATOM 30 N GLY A 4 -16.369 -8.410 10.657 1.00 0.00 N ATOM 31 CA GLY A 4 -17.194 -9.585 10.877 1.00 0.00 C ATOM 32 C GLY A 4 -16.462 -10.857 10.445 1.00 0.00 C ATOM 33 O GLY A 4 -15.239 -10.941 10.552 1.00 0.00 O ATOM 0 H GLY A 4 -16.343 -8.081 9.692 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -17.460 -9.655 11.932 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -18.125 -9.490 10.319 1.00 0.00 H new ATOM 37 N SER A 5 -17.240 -11.817 9.966 1.00 0.00 N ATOM 38 CA SER A 5 -16.681 -13.081 9.518 1.00 0.00 C ATOM 39 C SER A 5 -17.532 -13.656 8.384 1.00 0.00 C ATOM 40 O SER A 5 -18.754 -13.519 8.389 1.00 0.00 O ATOM 41 CB SER A 5 -16.587 -14.081 10.671 1.00 0.00 C ATOM 42 OG SER A 5 -17.833 -14.726 10.922 1.00 0.00 O ATOM 0 H SER A 5 -18.254 -11.744 9.878 1.00 0.00 H new ATOM 0 HA SER A 5 -15.672 -12.898 9.149 1.00 0.00 H new ATOM 0 HB2 SER A 5 -15.831 -14.831 10.439 1.00 0.00 H new ATOM 0 HB3 SER A 5 -16.258 -13.565 11.573 1.00 0.00 H new ATOM 0 HG SER A 5 -17.731 -15.358 11.664 1.00 0.00 H new ATOM 48 N SER A 6 -16.851 -14.289 7.439 1.00 0.00 N ATOM 49 CA SER A 6 -17.529 -14.886 6.301 1.00 0.00 C ATOM 50 C SER A 6 -18.211 -13.798 5.469 1.00 0.00 C ATOM 51 O SER A 6 -18.572 -12.746 5.992 1.00 0.00 O ATOM 52 CB SER A 6 -18.554 -15.927 6.755 1.00 0.00 C ATOM 53 OG SER A 6 -18.041 -17.254 6.669 1.00 0.00 O ATOM 0 H SER A 6 -15.837 -14.401 7.439 1.00 0.00 H new ATOM 0 HA SER A 6 -16.785 -15.392 5.686 1.00 0.00 H new ATOM 0 HB2 SER A 6 -18.851 -15.719 7.783 1.00 0.00 H new ATOM 0 HB3 SER A 6 -19.451 -15.844 6.141 1.00 0.00 H new ATOM 0 HG SER A 6 -18.724 -17.889 6.969 1.00 0.00 H new ATOM 59 N GLY A 7 -18.366 -14.090 4.185 1.00 0.00 N ATOM 60 CA GLY A 7 -18.998 -13.150 3.275 1.00 0.00 C ATOM 61 C GLY A 7 -19.057 -13.717 1.855 1.00 0.00 C ATOM 62 O GLY A 7 -18.467 -13.155 0.934 1.00 0.00 O ATOM 0 H GLY A 7 -18.065 -14.964 3.754 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -20.006 -12.924 3.622 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -18.444 -12.212 3.273 1.00 0.00 H new ATOM 66 N GLU A 8 -19.774 -14.823 1.724 1.00 0.00 N ATOM 67 CA GLU A 8 -19.917 -15.472 0.432 1.00 0.00 C ATOM 68 C GLU A 8 -20.631 -14.543 -0.553 1.00 0.00 C ATOM 69 O GLU A 8 -20.090 -14.219 -1.609 1.00 0.00 O ATOM 70 CB GLU A 8 -20.660 -16.803 0.566 1.00 0.00 C ATOM 71 CG GLU A 8 -19.783 -17.854 1.250 1.00 0.00 C ATOM 72 CD GLU A 8 -20.448 -18.379 2.524 1.00 0.00 C ATOM 73 OE1 GLU A 8 -20.833 -17.529 3.355 1.00 0.00 O ATOM 74 OE2 GLU A 8 -20.557 -19.619 2.637 1.00 0.00 O ATOM 0 H GLU A 8 -20.262 -15.286 2.491 1.00 0.00 H new ATOM 0 HA GLU A 8 -18.921 -15.686 0.043 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -21.574 -16.657 1.141 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -20.957 -17.159 -0.421 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -19.599 -18.681 0.564 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -18.813 -17.420 1.494 1.00 0.00 H new ATOM 81 N TYR A 9 -21.834 -14.141 -0.172 1.00 0.00 N ATOM 82 CA TYR A 9 -22.627 -13.256 -1.008 1.00 0.00 C ATOM 83 C TYR A 9 -21.748 -12.191 -1.667 1.00 0.00 C ATOM 84 O TYR A 9 -21.802 -12.001 -2.881 1.00 0.00 O ATOM 85 CB TYR A 9 -23.622 -12.570 -0.070 1.00 0.00 C ATOM 86 CG TYR A 9 -24.967 -13.289 0.044 1.00 0.00 C ATOM 87 CD1 TYR A 9 -25.038 -14.530 0.644 1.00 0.00 C ATOM 88 CD2 TYR A 9 -26.111 -12.697 -0.453 1.00 0.00 C ATOM 89 CE1 TYR A 9 -26.304 -15.207 0.752 1.00 0.00 C ATOM 90 CE2 TYR A 9 -27.377 -13.374 -0.345 1.00 0.00 C ATOM 91 CZ TYR A 9 -27.411 -14.596 0.252 1.00 0.00 C ATOM 92 OH TYR A 9 -28.607 -15.235 0.353 1.00 0.00 O ATOM 0 H TYR A 9 -22.279 -14.412 0.705 1.00 0.00 H new ATOM 0 HA TYR A 9 -23.119 -13.817 -1.802 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -23.177 -12.494 0.922 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -23.794 -11.553 -0.421 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -24.143 -14.993 1.033 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -26.056 -11.726 -0.923 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -26.373 -16.178 1.220 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -28.279 -12.922 -0.729 1.00 0.00 H new ATOM 0 HH TYR A 9 -29.309 -14.680 -0.046 1.00 0.00 H new ATOM 102 N GLY A 10 -20.958 -11.526 -0.837 1.00 0.00 N ATOM 103 CA GLY A 10 -20.068 -10.485 -1.324 1.00 0.00 C ATOM 104 C GLY A 10 -19.398 -10.906 -2.634 1.00 0.00 C ATOM 105 O GLY A 10 -19.628 -10.296 -3.677 1.00 0.00 O ATOM 0 H GLY A 10 -20.915 -11.687 0.169 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -20.630 -9.564 -1.478 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -19.306 -10.272 -0.574 1.00 0.00 H new ATOM 109 N TYR A 11 -18.581 -11.945 -2.536 1.00 0.00 N ATOM 110 CA TYR A 11 -17.876 -12.454 -3.700 1.00 0.00 C ATOM 111 C TYR A 11 -18.771 -12.423 -4.941 1.00 0.00 C ATOM 112 O TYR A 11 -18.391 -11.870 -5.971 1.00 0.00 O ATOM 113 CB TYR A 11 -17.523 -13.907 -3.377 1.00 0.00 C ATOM 114 CG TYR A 11 -16.023 -14.159 -3.204 1.00 0.00 C ATOM 115 CD1 TYR A 11 -15.179 -14.071 -4.292 1.00 0.00 C ATOM 116 CD2 TYR A 11 -15.516 -14.475 -1.960 1.00 0.00 C ATOM 117 CE1 TYR A 11 -13.768 -14.309 -4.129 1.00 0.00 C ATOM 118 CE2 TYR A 11 -14.105 -14.713 -1.797 1.00 0.00 C ATOM 119 CZ TYR A 11 -13.301 -14.618 -2.890 1.00 0.00 C ATOM 120 OH TYR A 11 -11.968 -14.842 -2.736 1.00 0.00 O ATOM 0 H TYR A 11 -18.392 -12.448 -1.669 1.00 0.00 H new ATOM 0 HA TYR A 11 -16.996 -11.847 -3.911 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -18.038 -14.201 -2.463 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -17.899 -14.548 -4.175 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -15.576 -13.824 -5.265 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -16.177 -14.544 -1.109 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -13.096 -14.244 -4.972 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -13.695 -14.961 -0.829 1.00 0.00 H new ATOM 0 HH TYR A 11 -11.778 -15.051 -1.798 1.00 0.00 H new ATOM 130 N GLU A 12 -19.943 -13.025 -4.801 1.00 0.00 N ATOM 131 CA GLU A 12 -20.895 -13.074 -5.897 1.00 0.00 C ATOM 132 C GLU A 12 -21.130 -11.670 -6.459 1.00 0.00 C ATOM 133 O GLU A 12 -20.894 -11.422 -7.640 1.00 0.00 O ATOM 134 CB GLU A 12 -22.211 -13.714 -5.452 1.00 0.00 C ATOM 135 CG GLU A 12 -22.257 -15.195 -5.832 1.00 0.00 C ATOM 136 CD GLU A 12 -23.508 -15.513 -6.654 1.00 0.00 C ATOM 137 OE1 GLU A 12 -24.603 -15.122 -6.195 1.00 0.00 O ATOM 138 OE2 GLU A 12 -23.340 -16.138 -7.723 1.00 0.00 O ATOM 0 H GLU A 12 -20.255 -13.483 -3.945 1.00 0.00 H new ATOM 0 HA GLU A 12 -20.477 -13.696 -6.689 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -22.324 -13.608 -4.373 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -23.048 -13.190 -5.913 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -21.366 -15.455 -6.404 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -22.246 -15.806 -4.929 1.00 0.00 H new ATOM 145 N ASP A 13 -21.591 -10.787 -5.585 1.00 0.00 N ATOM 146 CA ASP A 13 -21.861 -9.415 -5.979 1.00 0.00 C ATOM 147 C ASP A 13 -20.629 -8.838 -6.679 1.00 0.00 C ATOM 148 O ASP A 13 -20.721 -8.352 -7.805 1.00 0.00 O ATOM 149 CB ASP A 13 -22.163 -8.541 -4.759 1.00 0.00 C ATOM 150 CG ASP A 13 -23.083 -9.181 -3.717 1.00 0.00 C ATOM 151 OD1 ASP A 13 -24.232 -9.499 -4.093 1.00 0.00 O ATOM 152 OD2 ASP A 13 -22.615 -9.338 -2.568 1.00 0.00 O ATOM 0 H ASP A 13 -21.784 -10.995 -4.605 1.00 0.00 H new ATOM 0 HA ASP A 13 -22.725 -9.419 -6.644 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -21.221 -8.278 -4.277 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -22.617 -7.611 -5.101 1.00 0.00 H new ATOM 157 N LEU A 14 -19.503 -8.912 -5.984 1.00 0.00 N ATOM 158 CA LEU A 14 -18.255 -8.404 -6.525 1.00 0.00 C ATOM 159 C LEU A 14 -18.109 -8.862 -7.977 1.00 0.00 C ATOM 160 O LEU A 14 -17.853 -8.051 -8.865 1.00 0.00 O ATOM 161 CB LEU A 14 -17.080 -8.808 -5.632 1.00 0.00 C ATOM 162 CG LEU A 14 -15.722 -8.204 -5.995 1.00 0.00 C ATOM 163 CD1 LEU A 14 -14.703 -8.434 -4.878 1.00 0.00 C ATOM 164 CD2 LEU A 14 -15.227 -8.736 -7.341 1.00 0.00 C ATOM 0 H LEU A 14 -19.430 -9.316 -5.051 1.00 0.00 H new ATOM 0 HA LEU A 14 -18.260 -7.314 -6.533 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -17.317 -8.528 -4.605 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -16.990 -9.894 -5.654 1.00 0.00 H new ATOM 0 HG LEU A 14 -15.845 -7.126 -6.101 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -13.747 -7.995 -5.162 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -15.058 -7.967 -3.959 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -14.577 -9.504 -4.715 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -14.260 -8.291 -7.575 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -15.124 -9.820 -7.288 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -15.944 -8.477 -8.120 1.00 0.00 H new ATOM 176 N ARG A 15 -18.280 -10.161 -8.174 1.00 0.00 N ATOM 177 CA ARG A 15 -18.171 -10.737 -9.504 1.00 0.00 C ATOM 178 C ARG A 15 -18.860 -9.836 -10.531 1.00 0.00 C ATOM 179 O ARG A 15 -19.720 -9.031 -10.177 1.00 0.00 O ATOM 180 CB ARG A 15 -18.801 -12.130 -9.554 1.00 0.00 C ATOM 181 CG ARG A 15 -17.836 -13.147 -10.167 1.00 0.00 C ATOM 182 CD ARG A 15 -18.476 -14.535 -10.242 1.00 0.00 C ATOM 183 NE ARG A 15 -18.014 -15.240 -11.459 1.00 0.00 N ATOM 184 CZ ARG A 15 -18.553 -16.377 -11.918 1.00 0.00 C ATOM 185 NH1 ARG A 15 -19.576 -16.946 -11.265 1.00 0.00 N ATOM 186 NH2 ARG A 15 -18.070 -16.947 -13.031 1.00 0.00 N ATOM 0 H ARG A 15 -18.493 -10.831 -7.435 1.00 0.00 H new ATOM 0 HA ARG A 15 -17.111 -10.821 -9.743 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -19.076 -12.445 -8.547 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -19.720 -12.097 -10.139 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -17.546 -12.822 -11.166 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -16.925 -13.195 -9.570 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -18.215 -15.113 -9.356 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -19.562 -14.444 -10.255 1.00 0.00 H new ATOM 0 HE ARG A 15 -17.237 -14.835 -11.980 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -19.944 -16.513 -10.418 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -19.986 -17.812 -11.615 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -17.292 -16.515 -13.529 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -18.481 -17.813 -13.380 1.00 0.00 H new ATOM 200 N GLU A 16 -18.456 -10.002 -11.782 1.00 0.00 N ATOM 201 CA GLU A 16 -19.024 -9.214 -12.862 1.00 0.00 C ATOM 202 C GLU A 16 -18.717 -7.729 -12.654 1.00 0.00 C ATOM 203 O GLU A 16 -18.813 -7.222 -11.538 1.00 0.00 O ATOM 204 CB GLU A 16 -20.531 -9.451 -12.981 1.00 0.00 C ATOM 205 CG GLU A 16 -20.825 -10.719 -13.784 1.00 0.00 C ATOM 206 CD GLU A 16 -21.260 -10.376 -15.211 1.00 0.00 C ATOM 207 OE1 GLU A 16 -20.389 -9.900 -15.971 1.00 0.00 O ATOM 208 OE2 GLU A 16 -22.454 -10.596 -15.509 1.00 0.00 O ATOM 0 H GLU A 16 -17.742 -10.671 -12.071 1.00 0.00 H new ATOM 0 HA GLU A 16 -18.565 -9.533 -13.798 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -20.969 -9.536 -11.986 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -21.001 -8.594 -13.463 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -19.937 -11.350 -13.813 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -21.608 -11.294 -13.289 1.00 0.00 H new ATOM 215 N SER A 17 -18.354 -7.074 -13.747 1.00 0.00 N ATOM 216 CA SER A 17 -18.032 -5.658 -13.698 1.00 0.00 C ATOM 217 C SER A 17 -18.913 -4.887 -14.684 1.00 0.00 C ATOM 218 O SER A 17 -19.275 -5.408 -15.738 1.00 0.00 O ATOM 219 CB SER A 17 -16.554 -5.418 -14.008 1.00 0.00 C ATOM 220 OG SER A 17 -16.132 -6.119 -15.175 1.00 0.00 O ATOM 0 H SER A 17 -18.276 -7.498 -14.672 1.00 0.00 H new ATOM 0 HA SER A 17 -18.226 -5.298 -12.688 1.00 0.00 H new ATOM 0 HB2 SER A 17 -16.381 -4.350 -14.144 1.00 0.00 H new ATOM 0 HB3 SER A 17 -15.949 -5.733 -13.157 1.00 0.00 H new ATOM 0 HG SER A 17 -15.183 -5.938 -15.340 1.00 0.00 H new ATOM 226 N SER A 18 -19.233 -3.658 -14.306 1.00 0.00 N ATOM 227 CA SER A 18 -20.065 -2.810 -15.143 1.00 0.00 C ATOM 228 C SER A 18 -19.187 -1.978 -16.080 1.00 0.00 C ATOM 229 O SER A 18 -19.332 -2.051 -17.300 1.00 0.00 O ATOM 230 CB SER A 18 -20.950 -1.896 -14.294 1.00 0.00 C ATOM 231 OG SER A 18 -22.305 -1.903 -14.737 1.00 0.00 O ATOM 0 H SER A 18 -18.931 -3.229 -13.431 1.00 0.00 H new ATOM 0 HA SER A 18 -20.716 -3.450 -15.738 1.00 0.00 H new ATOM 0 HB2 SER A 18 -20.907 -2.215 -13.253 1.00 0.00 H new ATOM 0 HB3 SER A 18 -20.562 -0.878 -14.332 1.00 0.00 H new ATOM 0 HG SER A 18 -22.838 -1.309 -14.169 1.00 0.00 H new ATOM 237 N ASN A 19 -18.296 -1.207 -15.475 1.00 0.00 N ATOM 238 CA ASN A 19 -17.395 -0.361 -16.240 1.00 0.00 C ATOM 239 C ASN A 19 -16.248 0.100 -15.339 1.00 0.00 C ATOM 240 O ASN A 19 -16.330 -0.012 -14.117 1.00 0.00 O ATOM 241 CB ASN A 19 -18.117 0.883 -16.762 1.00 0.00 C ATOM 242 CG ASN A 19 -18.317 0.806 -18.276 1.00 0.00 C ATOM 243 OD1 ASN A 19 -18.047 1.940 -18.916 1.00 0.00 O flip ATOM 244 ND2 ASN A 19 -18.692 -0.216 -18.828 1.00 0.00 N flip ATOM 0 H ASN A 19 -18.178 -1.150 -14.463 1.00 0.00 H new ATOM 0 HA ASN A 19 -17.022 -0.941 -17.084 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -19.084 0.981 -16.268 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -17.541 1.774 -16.513 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -18.882 -1.053 -18.277 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -18.815 -0.233 -19.840 1.00 0.00 H new ATOM 251 N SER A 20 -15.205 0.610 -15.978 1.00 0.00 N ATOM 252 CA SER A 20 -14.043 1.089 -15.250 1.00 0.00 C ATOM 253 C SER A 20 -14.485 1.965 -14.076 1.00 0.00 C ATOM 254 O SER A 20 -14.061 1.749 -12.941 1.00 0.00 O ATOM 255 CB SER A 20 -13.100 1.870 -16.168 1.00 0.00 C ATOM 256 OG SER A 20 -13.787 2.878 -16.905 1.00 0.00 O ATOM 0 H SER A 20 -15.141 0.702 -16.992 1.00 0.00 H new ATOM 0 HA SER A 20 -13.500 0.225 -14.867 1.00 0.00 H new ATOM 0 HB2 SER A 20 -12.312 2.330 -15.572 1.00 0.00 H new ATOM 0 HB3 SER A 20 -12.615 1.182 -16.860 1.00 0.00 H new ATOM 0 HG SER A 20 -13.151 3.355 -17.478 1.00 0.00 H new ATOM 262 N LEU A 21 -15.332 2.934 -14.388 1.00 0.00 N ATOM 263 CA LEU A 21 -15.837 3.843 -13.373 1.00 0.00 C ATOM 264 C LEU A 21 -16.263 3.041 -12.142 1.00 0.00 C ATOM 265 O LEU A 21 -15.657 3.160 -11.079 1.00 0.00 O ATOM 266 CB LEU A 21 -16.948 4.725 -13.948 1.00 0.00 C ATOM 267 CG LEU A 21 -16.503 6.064 -14.538 1.00 0.00 C ATOM 268 CD1 LEU A 21 -17.617 6.688 -15.382 1.00 0.00 C ATOM 269 CD2 LEU A 21 -16.015 7.013 -13.441 1.00 0.00 C ATOM 0 H LEU A 21 -15.682 3.110 -15.330 1.00 0.00 H new ATOM 0 HA LEU A 21 -15.053 4.528 -13.051 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -17.466 4.162 -14.725 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -17.674 4.921 -13.159 1.00 0.00 H new ATOM 0 HG LEU A 21 -15.659 5.880 -15.203 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -17.275 7.639 -15.790 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -17.875 6.014 -16.199 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -18.495 6.855 -14.759 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -15.705 7.957 -13.888 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -16.823 7.195 -12.732 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -15.170 6.563 -12.920 1.00 0.00 H new ATOM 281 N LEU A 22 -17.303 2.241 -12.328 1.00 0.00 N ATOM 282 CA LEU A 22 -17.817 1.419 -11.246 1.00 0.00 C ATOM 283 C LEU A 22 -16.649 0.745 -10.524 1.00 0.00 C ATOM 284 O LEU A 22 -16.477 0.917 -9.318 1.00 0.00 O ATOM 285 CB LEU A 22 -18.865 0.436 -11.772 1.00 0.00 C ATOM 286 CG LEU A 22 -20.281 0.605 -11.217 1.00 0.00 C ATOM 287 CD1 LEU A 22 -20.294 0.465 -9.693 1.00 0.00 C ATOM 288 CD2 LEU A 22 -20.895 1.929 -11.676 1.00 0.00 C ATOM 0 H LEU A 22 -17.803 2.145 -13.212 1.00 0.00 H new ATOM 0 HA LEU A 22 -18.333 2.036 -10.510 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -18.908 0.528 -12.857 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -18.528 -0.577 -11.551 1.00 0.00 H new ATOM 0 HG LEU A 22 -20.903 -0.195 -11.619 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -21.312 0.589 -9.325 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -19.926 -0.523 -9.415 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -19.653 1.228 -9.252 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -21.901 2.024 -11.268 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -20.280 2.757 -11.323 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -20.942 1.950 -12.765 1.00 0.00 H new ATOM 300 N ASN A 23 -15.876 -0.009 -11.292 1.00 0.00 N ATOM 301 CA ASN A 23 -14.729 -0.710 -10.741 1.00 0.00 C ATOM 302 C ASN A 23 -13.918 0.252 -9.870 1.00 0.00 C ATOM 303 O ASN A 23 -13.443 -0.124 -8.800 1.00 0.00 O ATOM 304 CB ASN A 23 -13.813 -1.228 -11.852 1.00 0.00 C ATOM 305 CG ASN A 23 -12.494 -1.748 -11.278 1.00 0.00 C ATOM 306 OD1 ASN A 23 -11.578 -0.999 -10.982 1.00 0.00 O ATOM 307 ND2 ASN A 23 -12.449 -3.070 -11.137 1.00 0.00 N ATOM 0 H ASN A 23 -16.022 -0.150 -12.292 1.00 0.00 H new ATOM 0 HA ASN A 23 -15.099 -1.552 -10.156 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -14.315 -2.026 -12.399 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -13.613 -0.429 -12.566 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -11.611 -3.515 -10.761 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -13.252 -3.639 -11.405 1.00 0.00 H new ATOM 314 N HIS A 24 -13.786 1.475 -10.362 1.00 0.00 N ATOM 315 CA HIS A 24 -13.041 2.495 -9.642 1.00 0.00 C ATOM 316 C HIS A 24 -13.812 2.902 -8.385 1.00 0.00 C ATOM 317 O HIS A 24 -13.245 2.955 -7.295 1.00 0.00 O ATOM 318 CB HIS A 24 -12.725 3.682 -10.554 1.00 0.00 C ATOM 319 CG HIS A 24 -11.301 4.174 -10.450 1.00 0.00 C ATOM 320 ND1 HIS A 24 -10.384 4.042 -11.478 1.00 0.00 N ATOM 321 CD2 HIS A 24 -10.647 4.801 -9.429 1.00 0.00 C ATOM 322 CE1 HIS A 24 -9.234 4.567 -11.083 1.00 0.00 C ATOM 323 NE2 HIS A 24 -9.399 5.036 -9.813 1.00 0.00 N ATOM 0 H HIS A 24 -14.182 1.783 -11.250 1.00 0.00 H new ATOM 0 HA HIS A 24 -12.080 2.091 -9.322 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -12.926 3.397 -11.587 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -13.401 4.503 -10.313 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -11.073 5.061 -8.471 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -8.325 4.615 -11.664 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -8.681 5.493 -9.251 1.00 0.00 H new ATOM 331 N GLN A 25 -15.093 3.178 -8.579 1.00 0.00 N ATOM 332 CA GLN A 25 -15.947 3.579 -7.474 1.00 0.00 C ATOM 333 C GLN A 25 -15.653 2.725 -6.239 1.00 0.00 C ATOM 334 O GLN A 25 -15.791 3.193 -5.109 1.00 0.00 O ATOM 335 CB GLN A 25 -17.424 3.491 -7.863 1.00 0.00 C ATOM 336 CG GLN A 25 -17.994 4.877 -8.171 1.00 0.00 C ATOM 337 CD GLN A 25 -18.682 4.895 -9.538 1.00 0.00 C ATOM 338 OE1 GLN A 25 -18.083 5.190 -10.559 1.00 0.00 O ATOM 339 NE2 GLN A 25 -19.969 4.564 -9.500 1.00 0.00 N ATOM 0 H GLN A 25 -15.560 3.132 -9.485 1.00 0.00 H new ATOM 0 HA GLN A 25 -15.731 4.619 -7.232 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -17.536 2.846 -8.734 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -17.991 3.033 -7.052 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -18.707 5.161 -7.397 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -17.193 5.616 -8.153 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -20.409 4.328 -8.611 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -20.517 4.546 -10.360 1.00 0.00 H new ATOM 348 N LEU A 26 -15.254 1.488 -6.495 1.00 0.00 N ATOM 349 CA LEU A 26 -14.939 0.565 -5.419 1.00 0.00 C ATOM 350 C LEU A 26 -16.098 0.540 -4.419 1.00 0.00 C ATOM 351 O LEU A 26 -16.128 1.331 -3.478 1.00 0.00 O ATOM 352 CB LEU A 26 -13.591 0.917 -4.788 1.00 0.00 C ATOM 353 CG LEU A 26 -12.351 0.548 -5.606 1.00 0.00 C ATOM 354 CD1 LEU A 26 -11.081 1.098 -4.954 1.00 0.00 C ATOM 355 CD2 LEU A 26 -12.272 -0.963 -5.831 1.00 0.00 C ATOM 0 H LEU A 26 -15.142 1.103 -7.433 1.00 0.00 H new ATOM 0 HA LEU A 26 -14.829 -0.448 -5.806 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -13.570 1.990 -4.598 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -13.524 0.420 -3.820 1.00 0.00 H new ATOM 0 HG LEU A 26 -12.437 1.015 -6.587 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -10.215 0.822 -5.555 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -11.146 2.184 -4.889 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -10.976 0.680 -3.953 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -11.382 -1.198 -6.415 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -12.220 -1.472 -4.869 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -13.158 -1.297 -6.370 1.00 0.00 H new ATOM 367 N SER A 27 -17.023 -0.378 -4.658 1.00 0.00 N ATOM 368 CA SER A 27 -18.181 -0.517 -3.791 1.00 0.00 C ATOM 369 C SER A 27 -17.737 -0.549 -2.327 1.00 0.00 C ATOM 370 O SER A 27 -16.565 -0.783 -2.035 1.00 0.00 O ATOM 371 CB SER A 27 -18.977 -1.778 -4.132 1.00 0.00 C ATOM 372 OG SER A 27 -20.027 -1.512 -5.058 1.00 0.00 O ATOM 0 H SER A 27 -16.994 -1.033 -5.440 1.00 0.00 H new ATOM 0 HA SER A 27 -18.831 0.343 -3.949 1.00 0.00 H new ATOM 0 HB2 SER A 27 -18.306 -2.528 -4.550 1.00 0.00 H new ATOM 0 HB3 SER A 27 -19.397 -2.200 -3.219 1.00 0.00 H new ATOM 0 HG SER A 27 -20.511 -2.342 -5.252 1.00 0.00 H new ATOM 378 N GLU A 28 -18.697 -0.311 -1.445 1.00 0.00 N ATOM 379 CA GLU A 28 -18.420 -0.311 -0.019 1.00 0.00 C ATOM 380 C GLU A 28 -17.730 -1.614 0.388 1.00 0.00 C ATOM 381 O GLU A 28 -17.001 -1.652 1.378 1.00 0.00 O ATOM 382 CB GLU A 28 -19.701 -0.092 0.788 1.00 0.00 C ATOM 383 CG GLU A 28 -20.722 -1.196 0.507 1.00 0.00 C ATOM 384 CD GLU A 28 -21.425 -1.634 1.793 1.00 0.00 C ATOM 385 OE1 GLU A 28 -20.809 -2.432 2.533 1.00 0.00 O ATOM 386 OE2 GLU A 28 -22.561 -1.161 2.008 1.00 0.00 O ATOM 0 H GLU A 28 -19.668 -0.117 -1.691 1.00 0.00 H new ATOM 0 HA GLU A 28 -17.746 0.517 0.201 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -19.466 -0.072 1.852 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -20.131 0.878 0.538 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -21.460 -0.839 -0.211 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -20.222 -2.051 0.052 1.00 0.00 H new ATOM 393 N ILE A 29 -17.986 -2.652 -0.395 1.00 0.00 N ATOM 394 CA ILE A 29 -17.400 -3.954 -0.129 1.00 0.00 C ATOM 395 C ILE A 29 -15.911 -3.919 -0.479 1.00 0.00 C ATOM 396 O ILE A 29 -15.059 -3.990 0.406 1.00 0.00 O ATOM 397 CB ILE A 29 -18.177 -5.051 -0.858 1.00 0.00 C ATOM 398 CG1 ILE A 29 -19.612 -5.147 -0.334 1.00 0.00 C ATOM 399 CG2 ILE A 29 -17.445 -6.392 -0.771 1.00 0.00 C ATOM 400 CD1 ILE A 29 -20.618 -4.757 -1.418 1.00 0.00 C ATOM 0 H ILE A 29 -18.592 -2.617 -1.215 1.00 0.00 H new ATOM 0 HA ILE A 29 -17.474 -4.195 0.931 1.00 0.00 H new ATOM 0 HB ILE A 29 -18.236 -4.784 -1.913 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -19.812 -6.164 0.004 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -19.732 -4.494 0.530 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -18.019 -7.155 -1.297 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -16.460 -6.299 -1.228 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -17.334 -6.679 0.275 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -21.630 -4.834 -1.020 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -20.430 -3.732 -1.737 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -20.512 -5.427 -2.271 1.00 0.00 H new ATOM 412 N ASP A 30 -15.642 -3.810 -1.771 1.00 0.00 N ATOM 413 CA ASP A 30 -14.270 -3.765 -2.249 1.00 0.00 C ATOM 414 C ASP A 30 -13.464 -2.796 -1.383 1.00 0.00 C ATOM 415 O ASP A 30 -12.405 -3.152 -0.868 1.00 0.00 O ATOM 416 CB ASP A 30 -14.207 -3.270 -3.696 1.00 0.00 C ATOM 417 CG ASP A 30 -14.918 -4.162 -4.716 1.00 0.00 C ATOM 418 OD1 ASP A 30 -15.184 -5.330 -4.361 1.00 0.00 O ATOM 419 OD2 ASP A 30 -15.179 -3.655 -5.828 1.00 0.00 O ATOM 0 H ASP A 30 -16.351 -3.751 -2.502 1.00 0.00 H new ATOM 0 HA ASP A 30 -13.861 -4.774 -2.194 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -14.643 -2.272 -3.742 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -13.161 -3.174 -3.986 1.00 0.00 H new ATOM 424 N GLN A 31 -13.996 -1.590 -1.248 1.00 0.00 N ATOM 425 CA GLN A 31 -13.339 -0.567 -0.452 1.00 0.00 C ATOM 426 C GLN A 31 -12.829 -1.162 0.861 1.00 0.00 C ATOM 427 O GLN A 31 -11.638 -1.085 1.161 1.00 0.00 O ATOM 428 CB GLN A 31 -14.279 0.612 -0.191 1.00 0.00 C ATOM 429 CG GLN A 31 -13.807 1.864 -0.933 1.00 0.00 C ATOM 430 CD GLN A 31 -14.400 3.129 -0.308 1.00 0.00 C ATOM 431 OE1 GLN A 31 -15.575 3.202 0.011 1.00 0.00 O ATOM 432 NE2 GLN A 31 -13.524 4.117 -0.150 1.00 0.00 N ATOM 0 H GLN A 31 -14.875 -1.298 -1.676 1.00 0.00 H new ATOM 0 HA GLN A 31 -12.484 -0.191 -1.014 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -15.289 0.354 -0.511 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -14.325 0.815 0.879 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -12.719 1.917 -0.907 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -14.099 1.801 -1.981 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -12.554 3.990 -0.439 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -13.822 5.002 0.260 1.00 0.00 H new ATOM 441 N ALA A 32 -13.755 -1.743 1.610 1.00 0.00 N ATOM 442 CA ALA A 32 -13.414 -2.351 2.885 1.00 0.00 C ATOM 443 C ALA A 32 -12.093 -3.110 2.746 1.00 0.00 C ATOM 444 O ALA A 32 -11.124 -2.810 3.442 1.00 0.00 O ATOM 445 CB ALA A 32 -14.560 -3.255 3.343 1.00 0.00 C ATOM 0 H ALA A 32 -14.741 -1.806 1.358 1.00 0.00 H new ATOM 0 HA ALA A 32 -13.276 -1.587 3.650 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -14.304 -3.711 4.299 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -15.468 -2.663 3.455 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -14.726 -4.036 2.601 1.00 0.00 H new ATOM 451 N ARG A 33 -12.096 -4.078 1.841 1.00 0.00 N ATOM 452 CA ARG A 33 -10.909 -4.882 1.601 1.00 0.00 C ATOM 453 C ARG A 33 -9.733 -3.987 1.204 1.00 0.00 C ATOM 454 O ARG A 33 -8.645 -4.100 1.766 1.00 0.00 O ATOM 455 CB ARG A 33 -11.155 -5.911 0.496 1.00 0.00 C ATOM 456 CG ARG A 33 -12.387 -6.765 0.806 1.00 0.00 C ATOM 457 CD ARG A 33 -12.509 -7.929 -0.180 1.00 0.00 C ATOM 458 NE ARG A 33 -12.753 -9.190 0.555 1.00 0.00 N ATOM 459 CZ ARG A 33 -12.548 -10.410 0.040 1.00 0.00 C ATOM 460 NH1 ARG A 33 -12.095 -10.542 -1.214 1.00 0.00 N ATOM 461 NH2 ARG A 33 -12.797 -11.499 0.780 1.00 0.00 N ATOM 0 H ARG A 33 -12.901 -4.324 1.265 1.00 0.00 H new ATOM 0 HA ARG A 33 -10.673 -5.409 2.525 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -11.292 -5.400 -0.457 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -10.280 -6.553 0.391 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -12.320 -7.151 1.823 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -13.284 -6.147 0.758 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -13.325 -7.741 -0.878 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -11.597 -8.013 -0.771 1.00 0.00 H new ATOM 0 HE ARG A 33 -13.099 -9.127 1.513 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -11.906 -9.713 -1.778 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -11.939 -11.471 -1.605 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -13.142 -11.399 1.735 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -12.641 -12.428 0.389 1.00 0.00 H new ATOM 475 N LEU A 34 -9.992 -3.119 0.237 1.00 0.00 N ATOM 476 CA LEU A 34 -8.969 -2.206 -0.242 1.00 0.00 C ATOM 477 C LEU A 34 -8.311 -1.511 0.952 1.00 0.00 C ATOM 478 O LEU A 34 -7.118 -1.683 1.195 1.00 0.00 O ATOM 479 CB LEU A 34 -9.554 -1.237 -1.271 1.00 0.00 C ATOM 480 CG LEU A 34 -8.742 0.033 -1.536 1.00 0.00 C ATOM 481 CD1 LEU A 34 -7.930 -0.095 -2.826 1.00 0.00 C ATOM 482 CD2 LEU A 34 -9.644 1.268 -1.545 1.00 0.00 C ATOM 0 H LEU A 34 -10.896 -3.029 -0.228 1.00 0.00 H new ATOM 0 HA LEU A 34 -8.185 -2.754 -0.764 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -9.675 -1.770 -2.214 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -10.550 -0.945 -0.940 1.00 0.00 H new ATOM 0 HG LEU A 34 -8.031 0.161 -0.720 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -7.362 0.821 -2.991 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -7.243 -0.937 -2.742 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -8.605 -0.260 -3.666 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -9.042 2.157 -1.735 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -10.395 1.164 -2.328 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -10.138 1.365 -0.578 1.00 0.00 H new ATOM 494 N TYR A 35 -9.119 -0.741 1.666 1.00 0.00 N ATOM 495 CA TYR A 35 -8.631 -0.020 2.829 1.00 0.00 C ATOM 496 C TYR A 35 -7.815 -0.938 3.741 1.00 0.00 C ATOM 497 O TYR A 35 -6.696 -0.603 4.125 1.00 0.00 O ATOM 498 CB TYR A 35 -9.875 0.455 3.583 1.00 0.00 C ATOM 499 CG TYR A 35 -10.162 1.950 3.430 1.00 0.00 C ATOM 500 CD1 TYR A 35 -9.245 2.879 3.876 1.00 0.00 C ATOM 501 CD2 TYR A 35 -11.340 2.369 2.845 1.00 0.00 C ATOM 502 CE1 TYR A 35 -9.516 4.286 3.731 1.00 0.00 C ATOM 503 CE2 TYR A 35 -11.611 3.776 2.700 1.00 0.00 C ATOM 504 CZ TYR A 35 -10.686 4.665 3.151 1.00 0.00 C ATOM 505 OH TYR A 35 -10.942 5.994 3.014 1.00 0.00 O ATOM 0 H TYR A 35 -10.108 -0.601 1.461 1.00 0.00 H new ATOM 0 HA TYR A 35 -7.985 0.804 2.527 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -10.739 -0.108 3.230 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -9.756 0.225 4.642 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -8.324 2.551 4.334 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -12.058 1.642 2.496 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -8.806 5.023 4.075 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -12.528 4.117 2.243 1.00 0.00 H new ATOM 0 HH TYR A 35 -11.813 6.117 2.582 1.00 0.00 H new ATOM 515 N SER A 36 -8.408 -2.079 4.062 1.00 0.00 N ATOM 516 CA SER A 36 -7.751 -3.048 4.922 1.00 0.00 C ATOM 517 C SER A 36 -6.358 -3.370 4.378 1.00 0.00 C ATOM 518 O SER A 36 -5.474 -3.783 5.128 1.00 0.00 O ATOM 519 CB SER A 36 -8.581 -4.327 5.046 1.00 0.00 C ATOM 520 OG SER A 36 -8.403 -4.958 6.311 1.00 0.00 O ATOM 0 H SER A 36 -9.337 -2.354 3.742 1.00 0.00 H new ATOM 0 HA SER A 36 -7.654 -2.612 5.917 1.00 0.00 H new ATOM 0 HB2 SER A 36 -9.635 -4.090 4.904 1.00 0.00 H new ATOM 0 HB3 SER A 36 -8.300 -5.020 4.253 1.00 0.00 H new ATOM 0 HG SER A 36 -8.950 -5.770 6.352 1.00 0.00 H new ATOM 526 N CYS A 37 -6.204 -3.170 3.078 1.00 0.00 N ATOM 527 CA CYS A 37 -4.934 -3.434 2.424 1.00 0.00 C ATOM 528 C CYS A 37 -4.142 -2.125 2.366 1.00 0.00 C ATOM 529 O CYS A 37 -3.051 -2.030 2.925 1.00 0.00 O ATOM 530 CB CYS A 37 -5.128 -4.046 1.036 1.00 0.00 C ATOM 531 SG CYS A 37 -5.540 -5.822 1.187 1.00 0.00 S ATOM 0 H CYS A 37 -6.939 -2.828 2.459 1.00 0.00 H new ATOM 0 HA CYS A 37 -4.373 -4.172 2.998 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -5.925 -3.523 0.507 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -4.220 -3.924 0.446 1.00 0.00 H new ATOM 0 HG CYS A 37 -5.705 -6.331 0.002 1.00 0.00 H new ATOM 537 N LEU A 38 -4.724 -1.149 1.684 1.00 0.00 N ATOM 538 CA LEU A 38 -4.087 0.149 1.546 1.00 0.00 C ATOM 539 C LEU A 38 -3.475 0.558 2.887 1.00 0.00 C ATOM 540 O LEU A 38 -2.264 0.742 2.991 1.00 0.00 O ATOM 541 CB LEU A 38 -5.074 1.173 0.982 1.00 0.00 C ATOM 542 CG LEU A 38 -4.542 2.074 -0.134 1.00 0.00 C ATOM 543 CD1 LEU A 38 -5.379 3.349 -0.256 1.00 0.00 C ATOM 544 CD2 LEU A 38 -3.057 2.381 0.070 1.00 0.00 C ATOM 0 H LEU A 38 -5.629 -1.232 1.221 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.270 0.098 0.826 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -5.946 0.638 0.605 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -5.417 1.806 1.800 1.00 0.00 H new ATOM 0 HG LEU A 38 -4.633 1.537 -1.078 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.979 3.971 -1.057 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -6.412 3.086 -0.483 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.343 3.899 0.684 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -2.704 3.023 -0.737 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.918 2.888 1.025 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.489 1.450 0.068 1.00 0.00 H new ATOM 556 N ASP A 39 -4.342 0.689 3.881 1.00 0.00 N ATOM 557 CA ASP A 39 -3.903 1.073 5.212 1.00 0.00 C ATOM 558 C ASP A 39 -2.549 0.422 5.505 1.00 0.00 C ATOM 559 O ASP A 39 -1.715 1.002 6.198 1.00 0.00 O ATOM 560 CB ASP A 39 -4.895 0.602 6.277 1.00 0.00 C ATOM 561 CG ASP A 39 -4.888 1.416 7.572 1.00 0.00 C ATOM 562 OD1 ASP A 39 -3.808 1.476 8.199 1.00 0.00 O ATOM 563 OD2 ASP A 39 -5.963 1.959 7.906 1.00 0.00 O ATOM 0 H ASP A 39 -5.346 0.536 3.791 1.00 0.00 H new ATOM 0 HA ASP A 39 -3.831 2.160 5.243 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -5.899 0.629 5.854 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -4.679 -0.439 6.519 1.00 0.00 H new ATOM 568 N HIS A 40 -2.374 -0.773 4.961 1.00 0.00 N ATOM 569 CA HIS A 40 -1.136 -1.509 5.156 1.00 0.00 C ATOM 570 C HIS A 40 -0.001 -0.812 4.404 1.00 0.00 C ATOM 571 O HIS A 40 0.836 -0.147 5.013 1.00 0.00 O ATOM 572 CB HIS A 40 -1.305 -2.974 4.749 1.00 0.00 C ATOM 573 CG HIS A 40 -0.268 -3.899 5.338 1.00 0.00 C ATOM 574 ND1 HIS A 40 0.040 -3.918 6.688 1.00 0.00 N ATOM 575 CD2 HIS A 40 0.528 -4.837 4.749 1.00 0.00 C ATOM 576 CE1 HIS A 40 0.981 -4.829 6.890 1.00 0.00 C ATOM 577 NE2 HIS A 40 1.282 -5.397 5.687 1.00 0.00 N ATOM 0 H HIS A 40 -3.068 -1.250 4.386 1.00 0.00 H new ATOM 0 HA HIS A 40 -0.875 -1.514 6.214 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -2.295 -3.313 5.054 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -1.265 -3.045 3.662 1.00 0.00 H new ATOM 0 HD2 HIS A 40 0.542 -5.083 3.697 1.00 0.00 H new ATOM 0 HE1 HIS A 40 1.430 -5.078 7.840 1.00 0.00 H new ATOM 0 HE2 HIS A 40 1.973 -6.131 5.533 1.00 0.00 H new ATOM 585 N MET A 41 -0.008 -0.988 3.091 1.00 0.00 N ATOM 586 CA MET A 41 1.010 -0.384 2.249 1.00 0.00 C ATOM 587 C MET A 41 1.172 1.104 2.565 1.00 0.00 C ATOM 588 O MET A 41 2.199 1.702 2.250 1.00 0.00 O ATOM 589 CB MET A 41 0.625 -0.554 0.778 1.00 0.00 C ATOM 590 CG MET A 41 1.744 -1.243 -0.006 1.00 0.00 C ATOM 591 SD MET A 41 1.046 -2.300 -1.264 1.00 0.00 S ATOM 592 CE MET A 41 0.013 -1.122 -2.120 1.00 0.00 C ATOM 0 H MET A 41 -0.703 -1.541 2.589 1.00 0.00 H new ATOM 0 HA MET A 41 1.959 -0.884 2.445 1.00 0.00 H new ATOM 0 HB2 MET A 41 -0.291 -1.141 0.704 1.00 0.00 H new ATOM 0 HB3 MET A 41 0.415 0.421 0.338 1.00 0.00 H new ATOM 0 HG2 MET A 41 2.391 -0.496 -0.465 1.00 0.00 H new ATOM 0 HG3 MET A 41 2.365 -1.830 0.670 1.00 0.00 H new ATOM 0 HE1 MET A 41 -0.274 -1.527 -3.090 1.00 0.00 H new ATOM 0 HE2 MET A 41 -0.882 -0.927 -1.530 1.00 0.00 H new ATOM 0 HE3 MET A 41 0.563 -0.192 -2.263 1.00 0.00 H new ATOM 602 N ARG A 42 0.141 1.660 3.185 1.00 0.00 N ATOM 603 CA ARG A 42 0.155 3.067 3.548 1.00 0.00 C ATOM 604 C ARG A 42 0.984 3.280 4.816 1.00 0.00 C ATOM 605 O ARG A 42 1.769 4.223 4.898 1.00 0.00 O ATOM 606 CB ARG A 42 -1.264 3.590 3.780 1.00 0.00 C ATOM 607 CG ARG A 42 -1.597 4.721 2.805 1.00 0.00 C ATOM 608 CD ARG A 42 -2.160 5.936 3.546 1.00 0.00 C ATOM 609 NE ARG A 42 -2.225 7.099 2.633 1.00 0.00 N ATOM 610 CZ ARG A 42 -2.701 8.302 2.983 1.00 0.00 C ATOM 611 NH1 ARG A 42 -3.156 8.507 4.227 1.00 0.00 N ATOM 612 NH2 ARG A 42 -2.722 9.300 2.089 1.00 0.00 N ATOM 0 H ARG A 42 -0.710 1.161 3.445 1.00 0.00 H new ATOM 0 HA ARG A 42 0.602 3.618 2.721 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -1.980 2.777 3.658 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -1.360 3.948 4.805 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -0.700 5.009 2.256 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -2.322 4.371 2.070 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -3.154 5.709 3.931 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -1.532 6.172 4.405 1.00 0.00 H new ATOM 0 HE ARG A 42 -1.887 6.977 1.678 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -3.140 7.747 4.908 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -3.518 9.423 4.493 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -2.376 9.144 1.142 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -3.084 10.216 2.355 1.00 0.00 H new ATOM 626 N GLU A 43 0.781 2.387 5.774 1.00 0.00 N ATOM 627 CA GLU A 43 1.500 2.465 7.034 1.00 0.00 C ATOM 628 C GLU A 43 3.006 2.345 6.795 1.00 0.00 C ATOM 629 O GLU A 43 3.806 2.836 7.590 1.00 0.00 O ATOM 630 CB GLU A 43 1.013 1.392 8.010 1.00 0.00 C ATOM 631 CG GLU A 43 0.135 2.004 9.104 1.00 0.00 C ATOM 632 CD GLU A 43 0.276 1.230 10.417 1.00 0.00 C ATOM 633 OE1 GLU A 43 0.605 0.027 10.334 1.00 0.00 O ATOM 634 OE2 GLU A 43 0.053 1.859 11.473 1.00 0.00 O ATOM 0 H GLU A 43 0.129 1.606 5.703 1.00 0.00 H new ATOM 0 HA GLU A 43 1.300 3.437 7.484 1.00 0.00 H new ATOM 0 HB2 GLU A 43 0.449 0.632 7.469 1.00 0.00 H new ATOM 0 HB3 GLU A 43 1.869 0.892 8.463 1.00 0.00 H new ATOM 0 HG2 GLU A 43 0.415 3.046 9.260 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -0.907 1.999 8.785 1.00 0.00 H new ATOM 641 N VAL A 44 3.348 1.691 5.695 1.00 0.00 N ATOM 642 CA VAL A 44 4.744 1.500 5.340 1.00 0.00 C ATOM 643 C VAL A 44 5.181 2.617 4.390 1.00 0.00 C ATOM 644 O VAL A 44 5.893 3.536 4.793 1.00 0.00 O ATOM 645 CB VAL A 44 4.949 0.102 4.754 1.00 0.00 C ATOM 646 CG1 VAL A 44 3.630 -0.474 4.235 1.00 0.00 C ATOM 647 CG2 VAL A 44 6.011 0.120 3.652 1.00 0.00 C ATOM 0 H VAL A 44 2.682 1.286 5.037 1.00 0.00 H new ATOM 0 HA VAL A 44 5.375 1.561 6.226 1.00 0.00 H new ATOM 0 HB VAL A 44 5.306 -0.547 5.553 1.00 0.00 H new ATOM 0 HG11 VAL A 44 3.804 -1.468 3.824 1.00 0.00 H new ATOM 0 HG12 VAL A 44 2.914 -0.540 5.055 1.00 0.00 H new ATOM 0 HG13 VAL A 44 3.231 0.176 3.456 1.00 0.00 H new ATOM 0 HG21 VAL A 44 6.138 -0.886 3.252 1.00 0.00 H new ATOM 0 HG22 VAL A 44 5.695 0.791 2.853 1.00 0.00 H new ATOM 0 HG23 VAL A 44 6.958 0.468 4.065 1.00 0.00 H new ATOM 657 N LEU A 45 4.737 2.501 3.147 1.00 0.00 N ATOM 658 CA LEU A 45 5.074 3.489 2.137 1.00 0.00 C ATOM 659 C LEU A 45 4.246 4.755 2.372 1.00 0.00 C ATOM 660 O LEU A 45 4.790 5.857 2.413 1.00 0.00 O ATOM 661 CB LEU A 45 4.911 2.899 0.735 1.00 0.00 C ATOM 662 CG LEU A 45 5.695 1.616 0.452 1.00 0.00 C ATOM 663 CD1 LEU A 45 4.750 0.428 0.258 1.00 0.00 C ATOM 664 CD2 LEU A 45 6.636 1.800 -0.740 1.00 0.00 C ATOM 0 H LEU A 45 4.147 1.738 2.817 1.00 0.00 H new ATOM 0 HA LEU A 45 6.123 3.774 2.218 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.853 2.699 0.567 1.00 0.00 H new ATOM 0 HB3 LEU A 45 5.212 3.653 0.008 1.00 0.00 H new ATOM 0 HG LEU A 45 6.315 1.396 1.321 1.00 0.00 H new ATOM 0 HD11 LEU A 45 5.332 -0.471 0.058 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.157 0.283 1.161 1.00 0.00 H new ATOM 0 HD13 LEU A 45 4.086 0.625 -0.584 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.181 0.873 -0.920 1.00 0.00 H new ATOM 0 HD22 LEU A 45 6.055 2.057 -1.626 1.00 0.00 H new ATOM 0 HD23 LEU A 45 7.343 2.601 -0.525 1.00 0.00 H new ATOM 676 N GLY A 46 2.945 4.553 2.519 1.00 0.00 N ATOM 677 CA GLY A 46 2.037 5.664 2.748 1.00 0.00 C ATOM 678 C GLY A 46 2.685 6.727 3.638 1.00 0.00 C ATOM 679 O GLY A 46 2.400 7.916 3.499 1.00 0.00 O ATOM 0 H GLY A 46 2.498 3.637 2.484 1.00 0.00 H new ATOM 0 HA2 GLY A 46 1.752 6.108 1.794 1.00 0.00 H new ATOM 0 HA3 GLY A 46 1.123 5.300 3.217 1.00 0.00 H new ATOM 683 N ASP A 47 3.545 6.261 4.531 1.00 0.00 N ATOM 684 CA ASP A 47 4.236 7.157 5.443 1.00 0.00 C ATOM 685 C ASP A 47 4.820 8.330 4.654 1.00 0.00 C ATOM 686 O ASP A 47 4.701 9.482 5.068 1.00 0.00 O ATOM 687 CB ASP A 47 5.390 6.442 6.149 1.00 0.00 C ATOM 688 CG ASP A 47 6.311 7.351 6.965 1.00 0.00 C ATOM 689 OD1 ASP A 47 7.138 8.039 6.328 1.00 0.00 O ATOM 690 OD2 ASP A 47 6.169 7.337 8.207 1.00 0.00 O ATOM 0 H ASP A 47 3.779 5.275 4.643 1.00 0.00 H new ATOM 0 HA ASP A 47 3.517 7.502 6.186 1.00 0.00 H new ATOM 0 HB2 ASP A 47 4.976 5.681 6.811 1.00 0.00 H new ATOM 0 HB3 ASP A 47 5.988 5.922 5.400 1.00 0.00 H new ATOM 695 N ALA A 48 5.438 7.997 3.530 1.00 0.00 N ATOM 696 CA ALA A 48 6.041 9.009 2.679 1.00 0.00 C ATOM 697 C ALA A 48 5.239 9.121 1.381 1.00 0.00 C ATOM 698 O ALA A 48 4.890 10.221 0.955 1.00 0.00 O ATOM 699 CB ALA A 48 7.509 8.658 2.430 1.00 0.00 C ATOM 0 H ALA A 48 5.534 7.041 3.189 1.00 0.00 H new ATOM 0 HA ALA A 48 6.018 9.984 3.166 1.00 0.00 H new ATOM 0 HB1 ALA A 48 7.961 9.417 1.792 1.00 0.00 H new ATOM 0 HB2 ALA A 48 8.040 8.620 3.381 1.00 0.00 H new ATOM 0 HB3 ALA A 48 7.573 7.687 1.940 1.00 0.00 H new ATOM 705 N VAL A 49 4.970 7.967 0.788 1.00 0.00 N ATOM 706 CA VAL A 49 4.216 7.921 -0.453 1.00 0.00 C ATOM 707 C VAL A 49 2.743 8.212 -0.161 1.00 0.00 C ATOM 708 O VAL A 49 2.287 8.052 0.970 1.00 0.00 O ATOM 709 CB VAL A 49 4.433 6.575 -1.148 1.00 0.00 C ATOM 710 CG1 VAL A 49 5.834 6.030 -0.862 1.00 0.00 C ATOM 711 CG2 VAL A 49 3.358 5.567 -0.738 1.00 0.00 C ATOM 0 H VAL A 49 5.261 7.057 1.144 1.00 0.00 H new ATOM 0 HA VAL A 49 4.569 8.688 -1.142 1.00 0.00 H new ATOM 0 HB VAL A 49 4.349 6.735 -2.223 1.00 0.00 H new ATOM 0 HG11 VAL A 49 5.962 5.073 -1.367 1.00 0.00 H new ATOM 0 HG12 VAL A 49 6.580 6.736 -1.227 1.00 0.00 H new ATOM 0 HG13 VAL A 49 5.959 5.893 0.212 1.00 0.00 H new ATOM 0 HG21 VAL A 49 3.535 4.619 -1.246 1.00 0.00 H new ATOM 0 HG22 VAL A 49 3.396 5.413 0.340 1.00 0.00 H new ATOM 0 HG23 VAL A 49 2.376 5.949 -1.016 1.00 0.00 H new ATOM 721 N PRO A 50 2.021 8.647 -1.228 1.00 0.00 N ATOM 722 CA PRO A 50 0.608 8.963 -1.097 1.00 0.00 C ATOM 723 C PRO A 50 -0.232 7.687 -1.004 1.00 0.00 C ATOM 724 O PRO A 50 0.307 6.597 -0.818 1.00 0.00 O ATOM 725 CB PRO A 50 0.278 9.804 -2.319 1.00 0.00 C ATOM 726 CG PRO A 50 1.392 9.540 -3.320 1.00 0.00 C ATOM 727 CD PRO A 50 2.527 8.850 -2.582 1.00 0.00 C ATOM 0 HA PRO A 50 0.382 9.510 -0.182 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -0.692 9.528 -2.733 1.00 0.00 H new ATOM 0 HB3 PRO A 50 0.226 10.862 -2.062 1.00 0.00 H new ATOM 0 HG2 PRO A 50 1.031 8.914 -4.136 1.00 0.00 H new ATOM 0 HG3 PRO A 50 1.737 10.474 -3.763 1.00 0.00 H new ATOM 0 HD2 PRO A 50 2.787 7.902 -3.053 1.00 0.00 H new ATOM 0 HD3 PRO A 50 3.428 9.463 -2.580 1.00 0.00 H new ATOM 735 N ASP A 51 -1.538 7.866 -1.138 1.00 0.00 N ATOM 736 CA ASP A 51 -2.458 6.743 -1.071 1.00 0.00 C ATOM 737 C ASP A 51 -2.730 6.228 -2.486 1.00 0.00 C ATOM 738 O ASP A 51 -2.530 5.049 -2.770 1.00 0.00 O ATOM 739 CB ASP A 51 -3.794 7.162 -0.455 1.00 0.00 C ATOM 740 CG ASP A 51 -4.295 8.545 -0.875 1.00 0.00 C ATOM 741 OD1 ASP A 51 -3.694 9.534 -0.404 1.00 0.00 O ATOM 742 OD2 ASP A 51 -5.269 8.582 -1.659 1.00 0.00 O ATOM 0 H ASP A 51 -1.981 8.772 -1.293 1.00 0.00 H new ATOM 0 HA ASP A 51 -2.003 5.970 -0.452 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -4.548 6.422 -0.723 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -3.699 7.141 0.631 1.00 0.00 H new ATOM 747 N ASP A 52 -3.183 7.139 -3.336 1.00 0.00 N ATOM 748 CA ASP A 52 -3.485 6.791 -4.714 1.00 0.00 C ATOM 749 C ASP A 52 -2.410 5.841 -5.243 1.00 0.00 C ATOM 750 O ASP A 52 -2.700 4.693 -5.576 1.00 0.00 O ATOM 751 CB ASP A 52 -3.498 8.035 -5.605 1.00 0.00 C ATOM 752 CG ASP A 52 -4.513 9.107 -5.205 1.00 0.00 C ATOM 753 OD1 ASP A 52 -5.635 8.711 -4.823 1.00 0.00 O ATOM 754 OD2 ASP A 52 -4.144 10.298 -5.291 1.00 0.00 O ATOM 0 H ASP A 52 -3.348 8.117 -3.097 1.00 0.00 H new ATOM 0 HA ASP A 52 -4.468 6.321 -4.736 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -2.502 8.478 -5.598 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -3.703 7.727 -6.630 1.00 0.00 H new ATOM 759 N ILE A 53 -1.190 6.354 -5.304 1.00 0.00 N ATOM 760 CA ILE A 53 -0.069 5.565 -5.788 1.00 0.00 C ATOM 761 C ILE A 53 -0.219 4.123 -5.300 1.00 0.00 C ATOM 762 O ILE A 53 -0.141 3.184 -6.092 1.00 0.00 O ATOM 763 CB ILE A 53 1.256 6.215 -5.387 1.00 0.00 C ATOM 764 CG1 ILE A 53 1.533 7.461 -6.231 1.00 0.00 C ATOM 765 CG2 ILE A 53 2.405 5.208 -5.459 1.00 0.00 C ATOM 766 CD1 ILE A 53 2.945 7.993 -5.977 1.00 0.00 C ATOM 0 H ILE A 53 -0.953 7.306 -5.026 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.066 5.535 -6.878 1.00 0.00 H new ATOM 0 HB ILE A 53 1.177 6.539 -4.349 1.00 0.00 H new ATOM 0 HG12 ILE A 53 1.415 7.222 -7.288 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.802 8.234 -5.996 1.00 0.00 H new ATOM 0 HG21 ILE A 53 3.335 5.696 -5.169 1.00 0.00 H new ATOM 0 HG22 ILE A 53 2.204 4.378 -4.782 1.00 0.00 H new ATOM 0 HG23 ILE A 53 2.495 4.831 -6.478 1.00 0.00 H new ATOM 0 HD11 ILE A 53 3.116 8.879 -6.589 1.00 0.00 H new ATOM 0 HD12 ILE A 53 3.052 8.254 -4.924 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.675 7.226 -6.237 1.00 0.00 H new ATOM 778 N LEU A 54 -0.431 3.991 -3.999 1.00 0.00 N ATOM 779 CA LEU A 54 -0.592 2.678 -3.396 1.00 0.00 C ATOM 780 C LEU A 54 -1.874 2.033 -3.925 1.00 0.00 C ATOM 781 O LEU A 54 -1.845 0.914 -4.437 1.00 0.00 O ATOM 782 CB LEU A 54 -0.539 2.779 -1.870 1.00 0.00 C ATOM 783 CG LEU A 54 0.636 3.571 -1.291 1.00 0.00 C ATOM 784 CD1 LEU A 54 0.571 3.608 0.237 1.00 0.00 C ATOM 785 CD2 LEU A 54 1.970 3.018 -1.795 1.00 0.00 C ATOM 0 H LEU A 54 -0.495 4.771 -3.345 1.00 0.00 H new ATOM 0 HA LEU A 54 0.234 2.025 -3.678 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -1.466 3.236 -1.523 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -0.509 1.770 -1.460 1.00 0.00 H new ATOM 0 HG LEU A 54 0.561 4.600 -1.641 1.00 0.00 H new ATOM 0 HD11 LEU A 54 1.417 4.177 0.623 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -0.359 4.083 0.550 1.00 0.00 H new ATOM 0 HD13 LEU A 54 0.609 2.591 0.628 1.00 0.00 H new ATOM 0 HD21 LEU A 54 2.789 3.598 -1.369 1.00 0.00 H new ATOM 0 HD22 LEU A 54 2.069 1.975 -1.493 1.00 0.00 H new ATOM 0 HD23 LEU A 54 2.005 3.086 -2.882 1.00 0.00 H new ATOM 797 N THR A 55 -2.969 2.765 -3.784 1.00 0.00 N ATOM 798 CA THR A 55 -4.259 2.278 -4.242 1.00 0.00 C ATOM 799 C THR A 55 -4.129 1.646 -5.629 1.00 0.00 C ATOM 800 O THR A 55 -4.567 0.517 -5.845 1.00 0.00 O ATOM 801 CB THR A 55 -5.249 3.444 -4.195 1.00 0.00 C ATOM 802 OG1 THR A 55 -5.336 3.770 -2.811 1.00 0.00 O ATOM 803 CG2 THR A 55 -6.671 3.020 -4.568 1.00 0.00 C ATOM 0 H THR A 55 -2.990 3.692 -3.359 1.00 0.00 H new ATOM 0 HA THR A 55 -4.636 1.487 -3.594 1.00 0.00 H new ATOM 0 HB THR A 55 -4.915 4.231 -4.872 1.00 0.00 H new ATOM 0 HG1 THR A 55 -5.826 4.612 -2.703 1.00 0.00 H new ATOM 0 HG21 THR A 55 -7.333 3.884 -4.519 1.00 0.00 H new ATOM 0 HG22 THR A 55 -6.676 2.616 -5.580 1.00 0.00 H new ATOM 0 HG23 THR A 55 -7.018 2.257 -3.871 1.00 0.00 H new ATOM 811 N GLU A 56 -3.526 2.402 -6.534 1.00 0.00 N ATOM 812 CA GLU A 56 -3.332 1.931 -7.895 1.00 0.00 C ATOM 813 C GLU A 56 -2.691 0.542 -7.889 1.00 0.00 C ATOM 814 O GLU A 56 -3.158 -0.364 -8.579 1.00 0.00 O ATOM 815 CB GLU A 56 -2.491 2.920 -8.704 1.00 0.00 C ATOM 816 CG GLU A 56 -3.363 3.714 -9.677 1.00 0.00 C ATOM 817 CD GLU A 56 -2.534 4.248 -10.847 1.00 0.00 C ATOM 818 OE1 GLU A 56 -1.525 4.929 -10.563 1.00 0.00 O ATOM 819 OE2 GLU A 56 -2.928 3.963 -11.999 1.00 0.00 O ATOM 0 H GLU A 56 -3.165 3.338 -6.352 1.00 0.00 H new ATOM 0 HA GLU A 56 -4.308 1.858 -8.376 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -1.978 3.604 -8.028 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -1.721 2.381 -9.257 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -4.164 3.078 -10.055 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -3.835 4.545 -9.153 1.00 0.00 H new ATOM 826 N ALA A 57 -1.632 0.417 -7.103 1.00 0.00 N ATOM 827 CA ALA A 57 -0.922 -0.846 -6.999 1.00 0.00 C ATOM 828 C ALA A 57 -1.928 -1.973 -6.752 1.00 0.00 C ATOM 829 O ALA A 57 -1.875 -3.012 -7.408 1.00 0.00 O ATOM 830 CB ALA A 57 0.130 -0.751 -5.892 1.00 0.00 C ATOM 0 H ALA A 57 -1.248 1.170 -6.532 1.00 0.00 H new ATOM 0 HA ALA A 57 -0.398 -1.069 -7.928 1.00 0.00 H new ATOM 0 HB1 ALA A 57 0.663 -1.699 -5.814 1.00 0.00 H new ATOM 0 HB2 ALA A 57 0.837 0.044 -6.129 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -0.359 -0.531 -4.943 1.00 0.00 H new ATOM 836 N ILE A 58 -2.821 -1.728 -5.804 1.00 0.00 N ATOM 837 CA ILE A 58 -3.837 -2.709 -5.463 1.00 0.00 C ATOM 838 C ILE A 58 -4.625 -3.079 -6.720 1.00 0.00 C ATOM 839 O ILE A 58 -4.692 -4.250 -7.093 1.00 0.00 O ATOM 840 CB ILE A 58 -4.712 -2.196 -4.317 1.00 0.00 C ATOM 841 CG1 ILE A 58 -3.899 -2.048 -3.029 1.00 0.00 C ATOM 842 CG2 ILE A 58 -5.938 -3.091 -4.121 1.00 0.00 C ATOM 843 CD1 ILE A 58 -4.381 -0.848 -2.211 1.00 0.00 C ATOM 0 H ILE A 58 -2.862 -0.865 -5.262 1.00 0.00 H new ATOM 0 HA ILE A 58 -3.375 -3.625 -5.096 1.00 0.00 H new ATOM 0 HB ILE A 58 -5.076 -1.204 -4.583 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -3.986 -2.957 -2.434 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -2.844 -1.926 -3.273 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -6.543 -2.705 -3.301 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -6.531 -3.102 -5.036 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -5.614 -4.105 -3.887 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -3.787 -0.766 -1.301 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -4.270 0.062 -2.800 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -5.430 -0.985 -1.948 1.00 0.00 H new ATOM 855 N LEU A 59 -5.202 -2.060 -7.340 1.00 0.00 N ATOM 856 CA LEU A 59 -5.983 -2.264 -8.549 1.00 0.00 C ATOM 857 C LEU A 59 -5.064 -2.760 -9.667 1.00 0.00 C ATOM 858 O LEU A 59 -5.536 -3.245 -10.694 1.00 0.00 O ATOM 859 CB LEU A 59 -6.758 -0.995 -8.907 1.00 0.00 C ATOM 860 CG LEU A 59 -7.625 -0.402 -7.794 1.00 0.00 C ATOM 861 CD1 LEU A 59 -8.093 -1.489 -6.825 1.00 0.00 C ATOM 862 CD2 LEU A 59 -6.892 0.732 -7.073 1.00 0.00 C ATOM 0 H LEU A 59 -5.144 -1.091 -7.028 1.00 0.00 H new ATOM 0 HA LEU A 59 -6.737 -3.035 -8.390 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -6.045 -0.236 -9.228 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -7.398 -1.213 -9.762 1.00 0.00 H new ATOM 0 HG LEU A 59 -8.517 0.029 -8.249 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -8.707 -1.040 -6.044 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -8.680 -2.231 -7.367 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -7.226 -1.971 -6.373 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -7.530 1.136 -6.287 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -5.972 0.348 -6.632 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -6.651 1.521 -7.786 1.00 0.00 H new ATOM 874 N LYS A 60 -3.768 -2.621 -9.430 1.00 0.00 N ATOM 875 CA LYS A 60 -2.779 -3.049 -10.404 1.00 0.00 C ATOM 876 C LYS A 60 -2.686 -4.576 -10.393 1.00 0.00 C ATOM 877 O LYS A 60 -2.172 -5.177 -11.336 1.00 0.00 O ATOM 878 CB LYS A 60 -1.441 -2.350 -10.152 1.00 0.00 C ATOM 879 CG LYS A 60 -0.592 -2.317 -11.424 1.00 0.00 C ATOM 880 CD LYS A 60 -0.837 -1.030 -12.214 1.00 0.00 C ATOM 881 CE LYS A 60 -2.255 -1.000 -12.788 1.00 0.00 C ATOM 882 NZ LYS A 60 -2.350 -0.013 -13.887 1.00 0.00 N ATOM 0 H LYS A 60 -3.380 -2.218 -8.577 1.00 0.00 H new ATOM 0 HA LYS A 60 -3.082 -2.755 -11.409 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -1.618 -1.333 -9.802 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -0.899 -2.869 -9.362 1.00 0.00 H new ATOM 0 HG2 LYS A 60 0.464 -2.392 -11.163 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -0.829 -3.180 -12.046 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -0.685 -0.167 -11.566 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -0.111 -0.952 -13.024 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -2.525 -1.990 -13.156 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -2.966 -0.747 -12.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -3.319 -0.006 -14.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -2.112 0.933 -13.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -1.685 -0.271 -14.644 1.00 0.00 H new ATOM 896 N HIS A 61 -3.190 -5.160 -9.317 1.00 0.00 N ATOM 897 CA HIS A 61 -3.171 -6.606 -9.171 1.00 0.00 C ATOM 898 C HIS A 61 -4.478 -7.075 -8.530 1.00 0.00 C ATOM 899 O HIS A 61 -4.498 -8.069 -7.807 1.00 0.00 O ATOM 900 CB HIS A 61 -1.934 -7.057 -8.392 1.00 0.00 C ATOM 901 CG HIS A 61 -0.653 -6.387 -8.831 1.00 0.00 C ATOM 902 ND1 HIS A 61 -0.185 -6.446 -10.133 1.00 0.00 N ATOM 903 CD2 HIS A 61 0.251 -5.645 -8.130 1.00 0.00 C ATOM 904 CE1 HIS A 61 0.950 -5.767 -10.200 1.00 0.00 C ATOM 905 NE2 HIS A 61 1.219 -5.272 -8.957 1.00 0.00 N ATOM 0 H HIS A 61 -3.615 -4.658 -8.537 1.00 0.00 H new ATOM 0 HA HIS A 61 -3.101 -7.073 -10.153 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -2.092 -6.857 -7.332 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -1.823 -8.136 -8.500 1.00 0.00 H new ATOM 0 HD1 HIS A 61 -0.637 -6.930 -10.908 1.00 0.00 H new ATOM 0 HD2 HIS A 61 0.189 -5.402 -7.079 1.00 0.00 H new ATOM 0 HE1 HIS A 61 1.556 -5.629 -11.083 1.00 0.00 H new ATOM 913 N LYS A 62 -5.540 -6.337 -8.820 1.00 0.00 N ATOM 914 CA LYS A 62 -6.849 -6.665 -8.281 1.00 0.00 C ATOM 915 C LYS A 62 -6.697 -7.126 -6.830 1.00 0.00 C ATOM 916 O LYS A 62 -6.933 -8.292 -6.518 1.00 0.00 O ATOM 917 CB LYS A 62 -7.558 -7.681 -9.178 1.00 0.00 C ATOM 918 CG LYS A 62 -9.009 -7.268 -9.433 1.00 0.00 C ATOM 919 CD LYS A 62 -9.963 -8.003 -8.488 1.00 0.00 C ATOM 920 CE LYS A 62 -10.122 -7.243 -7.170 1.00 0.00 C ATOM 921 NZ LYS A 62 -11.458 -7.494 -6.585 1.00 0.00 N ATOM 0 H LYS A 62 -5.520 -5.513 -9.421 1.00 0.00 H new ATOM 0 HA LYS A 62 -7.489 -5.783 -8.270 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -7.028 -7.766 -10.127 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -7.533 -8.665 -8.710 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -9.114 -6.192 -9.296 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -9.276 -7.486 -10.467 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -10.936 -8.118 -8.965 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -9.584 -9.006 -8.290 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -9.347 -7.553 -6.469 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -9.988 -6.175 -7.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -11.549 -6.971 -5.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -12.193 -7.176 -7.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -11.572 -8.512 -6.404 1.00 0.00 H new ATOM 935 N PHE A 63 -6.305 -6.186 -5.982 1.00 0.00 N ATOM 936 CA PHE A 63 -6.120 -6.482 -4.571 1.00 0.00 C ATOM 937 C PHE A 63 -5.126 -7.629 -4.377 1.00 0.00 C ATOM 938 O PHE A 63 -5.507 -8.798 -4.417 1.00 0.00 O ATOM 939 CB PHE A 63 -7.483 -6.904 -4.020 1.00 0.00 C ATOM 940 CG PHE A 63 -8.523 -5.783 -4.005 1.00 0.00 C ATOM 941 CD1 PHE A 63 -8.931 -5.219 -5.173 1.00 0.00 C ATOM 942 CD2 PHE A 63 -9.040 -5.350 -2.824 1.00 0.00 C ATOM 943 CE1 PHE A 63 -9.897 -4.178 -5.160 1.00 0.00 C ATOM 944 CE2 PHE A 63 -10.006 -4.309 -2.810 1.00 0.00 C ATOM 945 CZ PHE A 63 -10.414 -3.745 -3.978 1.00 0.00 C ATOM 0 H PHE A 63 -6.111 -5.220 -6.245 1.00 0.00 H new ATOM 0 HA PHE A 63 -5.727 -5.606 -4.055 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -7.865 -7.731 -4.618 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -7.353 -7.278 -3.005 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -8.520 -5.563 -6.111 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -8.716 -5.798 -1.896 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -10.221 -3.730 -6.088 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -10.416 -3.965 -1.872 1.00 0.00 H new ATOM 0 HZ PHE A 63 -11.148 -2.953 -3.968 1.00 0.00 H new ATOM 955 N ASP A 64 -3.872 -7.255 -4.171 1.00 0.00 N ATOM 956 CA ASP A 64 -2.821 -8.238 -3.971 1.00 0.00 C ATOM 957 C ASP A 64 -1.599 -7.554 -3.355 1.00 0.00 C ATOM 958 O ASP A 64 -0.542 -7.484 -3.979 1.00 0.00 O ATOM 959 CB ASP A 64 -2.392 -8.864 -5.300 1.00 0.00 C ATOM 960 CG ASP A 64 -1.627 -10.183 -5.176 1.00 0.00 C ATOM 961 OD1 ASP A 64 -0.792 -10.270 -4.249 1.00 0.00 O ATOM 962 OD2 ASP A 64 -1.894 -11.075 -6.010 1.00 0.00 O ATOM 0 H ASP A 64 -3.560 -6.284 -4.138 1.00 0.00 H new ATOM 0 HA ASP A 64 -3.208 -9.016 -3.314 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -3.280 -9.032 -5.909 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -1.769 -8.149 -5.837 1.00 0.00 H new ATOM 967 N VAL A 65 -1.785 -7.066 -2.137 1.00 0.00 N ATOM 968 CA VAL A 65 -0.711 -6.390 -1.429 1.00 0.00 C ATOM 969 C VAL A 65 0.596 -7.154 -1.645 1.00 0.00 C ATOM 970 O VAL A 65 1.581 -6.586 -2.115 1.00 0.00 O ATOM 971 CB VAL A 65 -1.075 -6.234 0.048 1.00 0.00 C ATOM 972 CG1 VAL A 65 0.136 -5.783 0.867 1.00 0.00 C ATOM 973 CG2 VAL A 65 -2.248 -5.267 0.225 1.00 0.00 C ATOM 0 H VAL A 65 -2.664 -7.125 -1.622 1.00 0.00 H new ATOM 0 HA VAL A 65 -0.568 -5.384 -1.823 1.00 0.00 H new ATOM 0 HB VAL A 65 -1.386 -7.210 0.421 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -0.151 -5.680 1.914 1.00 0.00 H new ATOM 0 HG12 VAL A 65 0.931 -6.524 0.780 1.00 0.00 H new ATOM 0 HG13 VAL A 65 0.492 -4.823 0.492 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -2.486 -5.174 1.285 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -1.977 -4.289 -0.173 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -3.118 -5.648 -0.310 1.00 0.00 H new ATOM 983 N GLN A 66 0.564 -8.431 -1.292 1.00 0.00 N ATOM 984 CA GLN A 66 1.734 -9.279 -1.441 1.00 0.00 C ATOM 985 C GLN A 66 2.464 -8.952 -2.746 1.00 0.00 C ATOM 986 O GLN A 66 3.691 -9.005 -2.805 1.00 0.00 O ATOM 987 CB GLN A 66 1.350 -10.759 -1.384 1.00 0.00 C ATOM 988 CG GLN A 66 1.862 -11.408 -0.097 1.00 0.00 C ATOM 989 CD GLN A 66 3.057 -12.321 -0.380 1.00 0.00 C ATOM 990 OE1 GLN A 66 3.112 -13.022 -1.377 1.00 0.00 O ATOM 991 NE2 GLN A 66 4.006 -12.274 0.550 1.00 0.00 N ATOM 0 H GLN A 66 -0.255 -8.899 -0.903 1.00 0.00 H new ATOM 0 HA GLN A 66 2.410 -9.081 -0.609 1.00 0.00 H new ATOM 0 HB2 GLN A 66 0.266 -10.860 -1.440 1.00 0.00 H new ATOM 0 HB3 GLN A 66 1.764 -11.279 -2.248 1.00 0.00 H new ATOM 0 HG2 GLN A 66 2.151 -10.634 0.614 1.00 0.00 H new ATOM 0 HG3 GLN A 66 1.062 -11.984 0.367 1.00 0.00 H new ATOM 0 HE21 GLN A 66 3.896 -11.665 1.360 1.00 0.00 H new ATOM 0 HE22 GLN A 66 4.844 -12.847 0.453 1.00 0.00 H new ATOM 1000 N LYS A 67 1.677 -8.620 -3.759 1.00 0.00 N ATOM 1001 CA LYS A 67 2.233 -8.284 -5.059 1.00 0.00 C ATOM 1002 C LYS A 67 2.411 -6.768 -5.157 1.00 0.00 C ATOM 1003 O LYS A 67 3.489 -6.287 -5.503 1.00 0.00 O ATOM 1004 CB LYS A 67 1.374 -8.876 -6.178 1.00 0.00 C ATOM 1005 CG LYS A 67 2.151 -8.934 -7.495 1.00 0.00 C ATOM 1006 CD LYS A 67 3.020 -10.191 -7.564 1.00 0.00 C ATOM 1007 CE LYS A 67 3.858 -10.208 -8.843 1.00 0.00 C ATOM 1008 NZ LYS A 67 4.885 -11.272 -8.776 1.00 0.00 N ATOM 0 H LYS A 67 0.659 -8.576 -3.706 1.00 0.00 H new ATOM 0 HA LYS A 67 3.221 -8.729 -5.177 1.00 0.00 H new ATOM 0 HB2 LYS A 67 1.048 -9.878 -5.900 1.00 0.00 H new ATOM 0 HB3 LYS A 67 0.475 -8.274 -6.308 1.00 0.00 H new ATOM 0 HG2 LYS A 67 1.454 -8.923 -8.333 1.00 0.00 H new ATOM 0 HG3 LYS A 67 2.779 -8.048 -7.590 1.00 0.00 H new ATOM 0 HD2 LYS A 67 3.676 -10.232 -6.695 1.00 0.00 H new ATOM 0 HD3 LYS A 67 2.387 -11.078 -7.528 1.00 0.00 H new ATOM 0 HE2 LYS A 67 3.212 -10.372 -9.706 1.00 0.00 H new ATOM 0 HE3 LYS A 67 4.338 -9.239 -8.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 5.445 -11.270 -9.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 5.512 -11.099 -7.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 4.421 -12.196 -8.664 1.00 0.00 H new ATOM 1022 N ALA A 68 1.337 -6.057 -4.845 1.00 0.00 N ATOM 1023 CA ALA A 68 1.361 -4.605 -4.893 1.00 0.00 C ATOM 1024 C ALA A 68 2.607 -4.095 -4.166 1.00 0.00 C ATOM 1025 O ALA A 68 3.216 -3.112 -4.585 1.00 0.00 O ATOM 1026 CB ALA A 68 0.068 -4.053 -4.291 1.00 0.00 C ATOM 0 H ALA A 68 0.445 -6.460 -4.558 1.00 0.00 H new ATOM 0 HA ALA A 68 1.415 -4.256 -5.924 1.00 0.00 H new ATOM 0 HB1 ALA A 68 0.086 -2.964 -4.327 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -0.785 -4.421 -4.861 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -0.020 -4.380 -3.255 1.00 0.00 H new ATOM 1032 N LEU A 69 2.949 -4.787 -3.089 1.00 0.00 N ATOM 1033 CA LEU A 69 4.112 -4.417 -2.300 1.00 0.00 C ATOM 1034 C LEU A 69 5.382 -4.724 -3.096 1.00 0.00 C ATOM 1035 O LEU A 69 6.198 -3.835 -3.336 1.00 0.00 O ATOM 1036 CB LEU A 69 4.066 -5.095 -0.929 1.00 0.00 C ATOM 1037 CG LEU A 69 3.756 -4.183 0.260 1.00 0.00 C ATOM 1038 CD1 LEU A 69 3.559 -4.998 1.540 1.00 0.00 C ATOM 1039 CD2 LEU A 69 4.834 -3.110 0.424 1.00 0.00 C ATOM 0 H LEU A 69 2.441 -5.602 -2.744 1.00 0.00 H new ATOM 0 HA LEU A 69 4.112 -3.345 -2.101 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.315 -5.885 -0.961 1.00 0.00 H new ATOM 0 HB3 LEU A 69 5.028 -5.576 -0.751 1.00 0.00 H new ATOM 0 HG LEU A 69 2.817 -3.668 0.059 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.340 -4.326 2.369 1.00 0.00 H new ATOM 0 HD12 LEU A 69 2.729 -5.691 1.406 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.468 -5.559 1.758 1.00 0.00 H new ATOM 0 HD21 LEU A 69 4.589 -2.476 1.276 1.00 0.00 H new ATOM 0 HD22 LEU A 69 5.800 -3.587 0.592 1.00 0.00 H new ATOM 0 HD23 LEU A 69 4.882 -2.502 -0.479 1.00 0.00 H new ATOM 1051 N SER A 70 5.510 -5.985 -3.483 1.00 0.00 N ATOM 1052 CA SER A 70 6.667 -6.419 -4.246 1.00 0.00 C ATOM 1053 C SER A 70 6.871 -5.503 -5.454 1.00 0.00 C ATOM 1054 O SER A 70 7.991 -5.347 -5.937 1.00 0.00 O ATOM 1055 CB SER A 70 6.512 -7.872 -4.701 1.00 0.00 C ATOM 1056 OG SER A 70 7.758 -8.562 -4.717 1.00 0.00 O ATOM 0 H SER A 70 4.831 -6.719 -3.282 1.00 0.00 H new ATOM 0 HA SER A 70 7.544 -6.360 -3.602 1.00 0.00 H new ATOM 0 HB2 SER A 70 5.820 -8.388 -4.036 1.00 0.00 H new ATOM 0 HB3 SER A 70 6.072 -7.895 -5.698 1.00 0.00 H new ATOM 0 HG SER A 70 7.616 -9.486 -5.011 1.00 0.00 H new ATOM 1062 N VAL A 71 5.770 -4.921 -5.908 1.00 0.00 N ATOM 1063 CA VAL A 71 5.814 -4.025 -7.051 1.00 0.00 C ATOM 1064 C VAL A 71 6.045 -2.593 -6.562 1.00 0.00 C ATOM 1065 O VAL A 71 6.783 -1.832 -7.185 1.00 0.00 O ATOM 1066 CB VAL A 71 4.539 -4.174 -7.883 1.00 0.00 C ATOM 1067 CG1 VAL A 71 4.527 -3.186 -9.050 1.00 0.00 C ATOM 1068 CG2 VAL A 71 4.374 -5.612 -8.380 1.00 0.00 C ATOM 0 H VAL A 71 4.842 -5.053 -5.505 1.00 0.00 H new ATOM 0 HA VAL A 71 6.645 -4.283 -7.707 1.00 0.00 H new ATOM 0 HB VAL A 71 3.690 -3.942 -7.240 1.00 0.00 H new ATOM 0 HG11 VAL A 71 3.610 -3.313 -9.625 1.00 0.00 H new ATOM 0 HG12 VAL A 71 4.576 -2.167 -8.665 1.00 0.00 H new ATOM 0 HG13 VAL A 71 5.387 -3.372 -9.693 1.00 0.00 H new ATOM 0 HG21 VAL A 71 3.460 -5.691 -8.969 1.00 0.00 H new ATOM 0 HG22 VAL A 71 5.229 -5.883 -8.999 1.00 0.00 H new ATOM 0 HG23 VAL A 71 4.315 -6.287 -7.527 1.00 0.00 H new ATOM 1078 N VAL A 72 5.399 -2.271 -5.451 1.00 0.00 N ATOM 1079 CA VAL A 72 5.525 -0.944 -4.871 1.00 0.00 C ATOM 1080 C VAL A 72 6.940 -0.765 -4.319 1.00 0.00 C ATOM 1081 O VAL A 72 7.360 0.354 -4.027 1.00 0.00 O ATOM 1082 CB VAL A 72 4.439 -0.730 -3.814 1.00 0.00 C ATOM 1083 CG1 VAL A 72 4.792 0.441 -2.895 1.00 0.00 C ATOM 1084 CG2 VAL A 72 3.072 -0.522 -4.467 1.00 0.00 C ATOM 0 H VAL A 72 4.787 -2.905 -4.937 1.00 0.00 H new ATOM 0 HA VAL A 72 5.375 -0.179 -5.632 1.00 0.00 H new ATOM 0 HB VAL A 72 4.384 -1.631 -3.203 1.00 0.00 H new ATOM 0 HG11 VAL A 72 4.004 0.572 -2.153 1.00 0.00 H new ATOM 0 HG12 VAL A 72 5.736 0.235 -2.390 1.00 0.00 H new ATOM 0 HG13 VAL A 72 4.888 1.352 -3.486 1.00 0.00 H new ATOM 0 HG21 VAL A 72 2.318 -0.372 -3.694 1.00 0.00 H new ATOM 0 HG22 VAL A 72 3.107 0.355 -5.114 1.00 0.00 H new ATOM 0 HG23 VAL A 72 2.814 -1.400 -5.060 1.00 0.00 H new ATOM 1094 N LEU A 73 7.638 -1.885 -4.192 1.00 0.00 N ATOM 1095 CA LEU A 73 8.997 -1.866 -3.680 1.00 0.00 C ATOM 1096 C LEU A 73 9.976 -1.743 -4.850 1.00 0.00 C ATOM 1097 O LEU A 73 11.020 -1.104 -4.725 1.00 0.00 O ATOM 1098 CB LEU A 73 9.252 -3.084 -2.791 1.00 0.00 C ATOM 1099 CG LEU A 73 8.524 -3.096 -1.445 1.00 0.00 C ATOM 1100 CD1 LEU A 73 8.667 -4.455 -0.757 1.00 0.00 C ATOM 1101 CD2 LEU A 73 9.002 -1.949 -0.553 1.00 0.00 C ATOM 0 H LEU A 73 7.287 -2.811 -4.435 1.00 0.00 H new ATOM 0 HA LEU A 73 9.151 -0.996 -3.041 1.00 0.00 H new ATOM 0 HB2 LEU A 73 8.967 -3.979 -3.344 1.00 0.00 H new ATOM 0 HB3 LEU A 73 10.323 -3.154 -2.603 1.00 0.00 H new ATOM 0 HG LEU A 73 7.461 -2.939 -1.630 1.00 0.00 H new ATOM 0 HD11 LEU A 73 8.141 -4.437 0.197 1.00 0.00 H new ATOM 0 HD12 LEU A 73 8.240 -5.231 -1.392 1.00 0.00 H new ATOM 0 HD13 LEU A 73 9.722 -4.667 -0.585 1.00 0.00 H new ATOM 0 HD21 LEU A 73 8.469 -1.981 0.397 1.00 0.00 H new ATOM 0 HD22 LEU A 73 10.072 -2.050 -0.372 1.00 0.00 H new ATOM 0 HD23 LEU A 73 8.806 -0.998 -1.048 1.00 0.00 H new ATOM 1113 N GLU A 74 9.604 -2.364 -5.959 1.00 0.00 N ATOM 1114 CA GLU A 74 10.437 -2.332 -7.150 1.00 0.00 C ATOM 1115 C GLU A 74 10.174 -1.053 -7.947 1.00 0.00 C ATOM 1116 O GLU A 74 10.927 -0.721 -8.861 1.00 0.00 O ATOM 1117 CB GLU A 74 10.206 -3.574 -8.013 1.00 0.00 C ATOM 1118 CG GLU A 74 9.000 -3.384 -8.936 1.00 0.00 C ATOM 1119 CD GLU A 74 8.731 -4.648 -9.754 1.00 0.00 C ATOM 1120 OE1 GLU A 74 8.339 -5.656 -9.129 1.00 0.00 O ATOM 1121 OE2 GLU A 74 8.924 -4.578 -10.987 1.00 0.00 O ATOM 0 H GLU A 74 8.737 -2.892 -6.059 1.00 0.00 H new ATOM 0 HA GLU A 74 11.482 -2.335 -6.840 1.00 0.00 H new ATOM 0 HB2 GLU A 74 11.096 -3.778 -8.609 1.00 0.00 H new ATOM 0 HB3 GLU A 74 10.045 -4.441 -7.373 1.00 0.00 H new ATOM 0 HG2 GLU A 74 8.120 -3.136 -8.343 1.00 0.00 H new ATOM 0 HG3 GLU A 74 9.180 -2.544 -9.607 1.00 0.00 H new ATOM 1128 N GLN A 75 9.102 -0.369 -7.572 1.00 0.00 N ATOM 1129 CA GLN A 75 8.731 0.866 -8.240 1.00 0.00 C ATOM 1130 C GLN A 75 9.293 2.070 -7.482 1.00 0.00 C ATOM 1131 O GLN A 75 9.527 3.124 -8.071 1.00 0.00 O ATOM 1132 CB GLN A 75 7.212 0.973 -8.390 1.00 0.00 C ATOM 1133 CG GLN A 75 6.838 1.980 -9.480 1.00 0.00 C ATOM 1134 CD GLN A 75 6.559 3.359 -8.879 1.00 0.00 C ATOM 1135 OE1 GLN A 75 5.713 3.530 -8.018 1.00 0.00 O ATOM 1136 NE2 GLN A 75 7.316 4.330 -9.381 1.00 0.00 N ATOM 0 H GLN A 75 8.479 -0.648 -6.814 1.00 0.00 H new ATOM 0 HA GLN A 75 9.163 0.858 -9.241 1.00 0.00 H new ATOM 0 HB2 GLN A 75 6.798 -0.005 -8.636 1.00 0.00 H new ATOM 0 HB3 GLN A 75 6.770 1.278 -7.441 1.00 0.00 H new ATOM 0 HG2 GLN A 75 7.648 2.053 -10.206 1.00 0.00 H new ATOM 0 HG3 GLN A 75 5.958 1.629 -10.018 1.00 0.00 H new ATOM 0 HE21 GLN A 75 8.007 4.118 -10.101 1.00 0.00 H new ATOM 0 HE22 GLN A 75 7.206 5.287 -9.046 1.00 0.00 H new ATOM 1145 N ASP A 76 9.494 1.872 -6.188 1.00 0.00 N ATOM 1146 CA ASP A 76 10.025 2.929 -5.343 1.00 0.00 C ATOM 1147 C ASP A 76 11.501 3.152 -5.679 1.00 0.00 C ATOM 1148 O ASP A 76 11.923 4.282 -5.917 1.00 0.00 O ATOM 1149 CB ASP A 76 9.929 2.551 -3.863 1.00 0.00 C ATOM 1150 CG ASP A 76 9.422 3.664 -2.944 1.00 0.00 C ATOM 1151 OD1 ASP A 76 9.155 4.763 -3.476 1.00 0.00 O ATOM 1152 OD2 ASP A 76 9.313 3.391 -1.729 1.00 0.00 O ATOM 0 H ASP A 76 9.299 0.996 -5.704 1.00 0.00 H new ATOM 0 HA ASP A 76 9.441 3.831 -5.524 1.00 0.00 H new ATOM 0 HB2 ASP A 76 9.268 1.690 -3.765 1.00 0.00 H new ATOM 0 HB3 ASP A 76 10.914 2.237 -3.519 1.00 0.00 H new ATOM 1157 N GLY A 77 12.245 2.055 -5.688 1.00 0.00 N ATOM 1158 CA GLY A 77 13.665 2.117 -5.991 1.00 0.00 C ATOM 1159 C GLY A 77 13.916 2.895 -7.284 1.00 0.00 C ATOM 1160 O GLY A 77 15.013 3.408 -7.501 1.00 0.00 O ATOM 0 H GLY A 77 11.891 1.119 -5.490 1.00 0.00 H new ATOM 0 HA2 GLY A 77 14.196 2.593 -5.167 1.00 0.00 H new ATOM 0 HA3 GLY A 77 14.065 1.107 -6.086 1.00 0.00 H new ATOM 1164 N SER A 78 12.882 2.958 -8.109 1.00 0.00 N ATOM 1165 CA SER A 78 12.976 3.665 -9.375 1.00 0.00 C ATOM 1166 C SER A 78 13.344 5.130 -9.131 1.00 0.00 C ATOM 1167 O SER A 78 14.166 5.696 -9.849 1.00 0.00 O ATOM 1168 CB SER A 78 11.666 3.570 -10.159 1.00 0.00 C ATOM 1169 OG SER A 78 11.799 4.071 -11.486 1.00 0.00 O ATOM 0 H SER A 78 11.974 2.531 -7.926 1.00 0.00 H new ATOM 0 HA SER A 78 13.758 3.195 -9.971 1.00 0.00 H new ATOM 0 HB2 SER A 78 11.340 2.530 -10.195 1.00 0.00 H new ATOM 0 HB3 SER A 78 10.890 4.129 -9.637 1.00 0.00 H new ATOM 0 HG SER A 78 10.941 3.991 -11.953 1.00 0.00 H new ATOM 1175 N GLY A 79 12.717 5.702 -8.113 1.00 0.00 N ATOM 1176 CA GLY A 79 12.967 7.090 -7.765 1.00 0.00 C ATOM 1177 C GLY A 79 14.468 7.385 -7.731 1.00 0.00 C ATOM 1178 O GLY A 79 14.987 8.087 -8.597 1.00 0.00 O ATOM 0 H GLY A 79 12.036 5.229 -7.518 1.00 0.00 H new ATOM 0 HA2 GLY A 79 12.481 7.743 -8.489 1.00 0.00 H new ATOM 0 HA3 GLY A 79 12.527 7.310 -6.792 1.00 0.00 H new ATOM 1182 N PRO A 80 15.142 6.818 -6.694 1.00 0.00 N ATOM 1183 CA PRO A 80 16.573 7.012 -6.536 1.00 0.00 C ATOM 1184 C PRO A 80 17.356 6.173 -7.548 1.00 0.00 C ATOM 1185 O PRO A 80 16.773 5.603 -8.469 1.00 0.00 O ATOM 1186 CB PRO A 80 16.865 6.628 -5.094 1.00 0.00 C ATOM 1187 CG PRO A 80 15.679 5.795 -4.636 1.00 0.00 C ATOM 1188 CD PRO A 80 14.561 5.980 -5.649 1.00 0.00 C ATOM 0 HA PRO A 80 16.882 8.039 -6.732 1.00 0.00 H new ATOM 0 HB2 PRO A 80 17.792 6.060 -5.021 1.00 0.00 H new ATOM 0 HB3 PRO A 80 16.984 7.514 -4.470 1.00 0.00 H new ATOM 0 HG2 PRO A 80 15.957 4.744 -4.562 1.00 0.00 H new ATOM 0 HG3 PRO A 80 15.352 6.109 -3.645 1.00 0.00 H new ATOM 0 HD2 PRO A 80 14.227 5.023 -6.049 1.00 0.00 H new ATOM 0 HD3 PRO A 80 13.692 6.457 -5.197 1.00 0.00 H new ATOM 1196 N SER A 81 18.664 6.125 -7.343 1.00 0.00 N ATOM 1197 CA SER A 81 19.532 5.365 -8.226 1.00 0.00 C ATOM 1198 C SER A 81 19.197 5.678 -9.686 1.00 0.00 C ATOM 1199 O SER A 81 18.495 4.911 -10.343 1.00 0.00 O ATOM 1200 CB SER A 81 19.407 3.863 -7.963 1.00 0.00 C ATOM 1201 OG SER A 81 20.531 3.139 -8.457 1.00 0.00 O ATOM 0 H SER A 81 19.144 6.600 -6.578 1.00 0.00 H new ATOM 0 HA SER A 81 20.563 5.657 -8.026 1.00 0.00 H new ATOM 0 HB2 SER A 81 19.307 3.690 -6.892 1.00 0.00 H new ATOM 0 HB3 SER A 81 18.498 3.487 -8.433 1.00 0.00 H new ATOM 0 HG SER A 81 20.414 2.184 -8.268 1.00 0.00 H new ATOM 1207 N SER A 82 19.714 6.806 -10.149 1.00 0.00 N ATOM 1208 CA SER A 82 19.478 7.230 -11.519 1.00 0.00 C ATOM 1209 C SER A 82 20.764 7.093 -12.338 1.00 0.00 C ATOM 1210 O SER A 82 20.792 6.382 -13.341 1.00 0.00 O ATOM 1211 CB SER A 82 18.968 8.672 -11.569 1.00 0.00 C ATOM 1212 OG SER A 82 17.547 8.733 -11.647 1.00 0.00 O ATOM 0 H SER A 82 20.295 7.440 -9.600 1.00 0.00 H new ATOM 0 HA SER A 82 18.710 6.587 -11.949 1.00 0.00 H new ATOM 0 HB2 SER A 82 19.306 9.207 -10.681 1.00 0.00 H new ATOM 0 HB3 SER A 82 19.401 9.180 -12.431 1.00 0.00 H new ATOM 0 HG SER A 82 17.261 9.670 -11.675 1.00 0.00 H new ATOM 1218 N GLY A 83 21.796 7.785 -11.879 1.00 0.00 N ATOM 1219 CA GLY A 83 23.081 7.750 -12.556 1.00 0.00 C ATOM 1220 C GLY A 83 23.610 6.317 -12.654 1.00 0.00 C ATOM 1221 O GLY A 83 24.565 6.053 -13.383 1.00 0.00 O ATOM 0 H GLY A 83 21.769 8.373 -11.046 1.00 0.00 H new ATOM 0 HA2 GLY A 83 22.981 8.174 -13.555 1.00 0.00 H new ATOM 0 HA3 GLY A 83 23.797 8.370 -12.017 1.00 0.00 H new TER 1225 GLY A 83