USER MOD reduce.3.24.130724 H: found=0, std=0, add=514, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 514 hydrogens (14 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 NoAdj-H: A 45 PTR HN2 : A 45 PTR N : A 44 TRP C :(H bumps) USER MOD NoAdj-H: A 45 PTR H : A 45 PTR N : A 44 TRP C :(H bumps) USER MOD NoAdj-H: A 51 TPO H2 : A 51 TPO N : A 50 LEU C :(H bumps) USER MOD Set 1.1: A 14 CYS SG : rot 167:sc= 0.576! USER MOD Set 1.2: A 23 CYS SG : rot 93:sc= -0.0201! USER MOD Set 1.3: A 36 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 17 SER OG : rot 180:sc= -0.0292 USER MOD Set 2.2: A 33 ASN : amide:sc= 0.00895 X(o=-0.02,f=0.17) USER MOD Set 3.1: A 16 HIS : no HD1:sc= -1.19 X(o=-4.2,f=-4.6!) USER MOD Set 3.2: A 26 CYS SG : rot -148:sc= -3.01! USER MOD Set 4.1: A 7 THR OG1 : rot -20:sc= 1.1 USER MOD Set 4.2: A 8 THR OG1 : rot 180:sc= 0 USER MOD Set 5.1: A 1 GLY N :NH3+ 159:sc= -0.198 (180deg=-0.948) USER MOD Set 5.2: A 9 MET CE :methyl -128:sc= -0.0635 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc=-0.000293 USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.0521 USER MOD Single : A 5 MET CE :methyl -163:sc= -0.085 (180deg=-0.501) USER MOD Single : A 11 GLN : amide:sc= 0.0741 K(o=0.074,f=-0.91) USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 167:sc= 0.0502 (180deg=-0.0188) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -0.155 K(o=-0.15,f=-1.1) USER MOD Single : A 31 TYR OH : rot 64:sc= 0.197 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 MET CE :methyl -166:sc= -0.0708 (180deg=-0.424) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -26.396 -45.810 -23.269 1.00100.00 N ATOM 2 CA GLY A 1 -26.960 -44.914 -22.245 1.00100.00 C ATOM 3 C GLY A 1 -28.131 -44.214 -22.837 1.00100.00 C ATOM 4 O GLY A 1 -28.008 -43.538 -23.859 1.00100.00 O ATOM 0 H1 GLY A 1 -25.409 -46.034 -23.029 1.00100.00 H new ATOM 0 H2 GLY A 1 -26.951 -46.689 -23.305 1.00100.00 H new ATOM 0 H3 GLY A 1 -26.429 -45.341 -24.197 1.00100.00 H new ATOM 0 HA2 GLY A 1 -27.262 -45.483 -21.366 1.00100.00 H new ATOM 0 HA3 GLY A 1 -26.212 -44.193 -21.917 1.00100.00 H new ATOM 10 N SER A 2 -29.323 -44.587 -22.322 1.00100.00 N ATOM 11 CA SER A 2 -30.592 -44.033 -22.732 1.00100.00 C ATOM 12 C SER A 2 -30.631 -42.559 -22.425 1.00100.00 C ATOM 13 O SER A 2 -31.069 -41.758 -23.252 1.00100.00 O ATOM 14 CB SER A 2 -31.772 -44.759 -22.050 1.00100.00 C ATOM 15 OG SER A 2 -31.669 -44.646 -20.647 1.00100.00 O ATOM 0 H SER A 2 -29.410 -45.298 -21.596 1.00100.00 H new ATOM 0 HA SER A 2 -30.695 -44.178 -23.807 1.00100.00 H new ATOM 0 HB2 SER A 2 -32.716 -44.331 -22.388 1.00100.00 H new ATOM 0 HB3 SER A 2 -31.777 -45.810 -22.338 1.00100.00 H new ATOM 0 HG SER A 2 -32.423 -45.108 -20.225 1.00100.00 H new ATOM 21 N THR A 3 -30.151 -42.190 -21.215 1.00100.00 N ATOM 22 CA THR A 3 -30.075 -40.830 -20.757 1.00100.00 C ATOM 23 C THR A 3 -28.806 -40.213 -21.308 1.00100.00 C ATOM 24 O THR A 3 -27.938 -40.917 -21.836 1.00100.00 O ATOM 25 CB THR A 3 -30.190 -40.712 -19.240 1.00100.00 C ATOM 26 OG1 THR A 3 -30.294 -39.355 -18.868 1.00100.00 O ATOM 27 CG2 THR A 3 -28.963 -41.326 -18.568 1.00100.00 C ATOM 0 H THR A 3 -29.804 -42.864 -20.532 1.00100.00 H new ATOM 0 HA THR A 3 -30.932 -40.272 -21.134 1.00100.00 H new ATOM 0 HB THR A 3 -31.083 -41.247 -18.918 1.00100.00 H new ATOM 0 HG1 THR A 3 -30.369 -39.288 -17.893 1.00100.00 H new ATOM 0 HG21 THR A 3 -29.057 -41.235 -17.486 1.00100.00 H new ATOM 0 HG22 THR A 3 -28.889 -42.379 -18.839 1.00100.00 H new ATOM 0 HG23 THR A 3 -28.066 -40.802 -18.899 1.00100.00 H new ATOM 35 N ALA A 4 -28.687 -38.867 -21.209 1.00100.00 N ATOM 36 CA ALA A 4 -27.520 -38.194 -21.707 1.00100.00 C ATOM 37 C ALA A 4 -26.472 -38.290 -20.648 1.00100.00 C ATOM 38 O ALA A 4 -26.611 -37.752 -19.545 1.00100.00 O ATOM 39 CB ALA A 4 -27.743 -36.706 -22.043 1.00100.00 C ATOM 0 H ALA A 4 -29.388 -38.256 -20.791 1.00100.00 H new ATOM 0 HA ALA A 4 -27.235 -38.676 -22.642 1.00100.00 H new ATOM 0 HB1 ALA A 4 -26.813 -36.273 -22.412 1.00100.00 H new ATOM 0 HB2 ALA A 4 -28.514 -36.617 -22.809 1.00100.00 H new ATOM 0 HB3 ALA A 4 -28.060 -36.174 -21.146 1.00100.00 H new ATOM 45 N MET A 5 -25.395 -39.026 -20.990 1.00100.00 N ATOM 46 CA MET A 5 -24.289 -39.226 -20.104 1.00100.00 C ATOM 47 C MET A 5 -23.263 -38.305 -20.675 1.00100.00 C ATOM 48 O MET A 5 -22.766 -38.535 -21.779 1.00100.00 O ATOM 49 CB MET A 5 -23.720 -40.664 -20.161 1.00100.00 C ATOM 50 CG MET A 5 -24.776 -41.674 -19.716 1.00100.00 C ATOM 51 SD MET A 5 -25.400 -41.420 -18.035 1.00100.00 S ATOM 52 CE MET A 5 -23.851 -41.589 -17.112 1.00100.00 C ATOM 0 H MET A 5 -25.292 -39.488 -21.894 1.00100.00 H new ATOM 0 HA MET A 5 -24.571 -39.054 -19.065 1.00100.00 H new ATOM 0 HB2 MET A 5 -23.394 -40.893 -21.176 1.00100.00 H new ATOM 0 HB3 MET A 5 -22.842 -40.740 -19.519 1.00100.00 H new ATOM 0 HG2 MET A 5 -25.615 -41.633 -20.411 1.00100.00 H new ATOM 0 HG3 MET A 5 -24.353 -42.676 -19.785 1.00100.00 H new ATOM 0 HE1 MET A 5 -24.072 -41.763 -16.059 1.00100.00 H new ATOM 0 HE2 MET A 5 -23.282 -42.430 -17.507 1.00100.00 H new ATOM 0 HE3 MET A 5 -23.265 -40.675 -17.213 1.00100.00 H new ATOM 62 N ALA A 6 -23.011 -37.184 -19.954 1.00100.00 N ATOM 63 CA ALA A 6 -22.081 -36.142 -20.329 1.00100.00 C ATOM 64 C ALA A 6 -22.322 -35.646 -21.734 1.00100.00 C ATOM 65 O ALA A 6 -21.400 -35.528 -22.547 1.00100.00 O ATOM 66 CB ALA A 6 -20.587 -36.483 -20.102 1.00100.00 C ATOM 0 H ALA A 6 -23.478 -36.994 -19.067 1.00100.00 H new ATOM 0 HA ALA A 6 -22.295 -35.331 -19.633 1.00100.00 H new ATOM 0 HB1 ALA A 6 -19.970 -35.640 -20.413 1.00100.00 H new ATOM 0 HB2 ALA A 6 -20.417 -36.686 -19.045 1.00100.00 H new ATOM 0 HB3 ALA A 6 -20.321 -37.363 -20.688 1.00100.00 H new ATOM 72 N THR A 7 -23.619 -35.386 -22.036 1.00100.00 N ATOM 73 CA THR A 7 -24.165 -34.901 -23.284 1.00100.00 C ATOM 74 C THR A 7 -24.167 -35.887 -24.418 1.00100.00 C ATOM 75 O THR A 7 -25.237 -36.131 -24.981 1.00100.00 O ATOM 76 CB THR A 7 -23.699 -33.528 -23.771 1.00100.00 C ATOM 77 OG1 THR A 7 -22.338 -33.562 -24.136 1.00100.00 O ATOM 78 CG2 THR A 7 -23.903 -32.488 -22.671 1.00100.00 C ATOM 0 H THR A 7 -24.352 -35.529 -21.341 1.00100.00 H new ATOM 0 HA THR A 7 -25.198 -34.759 -22.966 1.00100.00 H new ATOM 0 HB THR A 7 -24.291 -33.258 -24.646 1.00100.00 H new ATOM 0 HG1 THR A 7 -21.905 -34.332 -23.712 1.00100.00 H new ATOM 0 HG21 THR A 7 -23.569 -31.513 -23.026 1.00100.00 H new ATOM 0 HG22 THR A 7 -24.960 -32.437 -22.410 1.00100.00 H new ATOM 0 HG23 THR A 7 -23.326 -32.771 -21.791 1.00100.00 H new ATOM 86 N THR A 8 -23.004 -36.497 -24.759 1.00100.00 N ATOM 87 CA THR A 8 -22.955 -37.422 -25.865 1.00100.00 C ATOM 88 C THR A 8 -22.567 -38.794 -25.366 1.00100.00 C ATOM 89 O THR A 8 -21.715 -38.944 -24.489 1.00100.00 O ATOM 90 CB THR A 8 -21.995 -36.965 -26.942 1.00100.00 C ATOM 91 OG1 THR A 8 -22.350 -35.661 -27.351 1.00100.00 O ATOM 92 CG2 THR A 8 -22.064 -37.894 -28.152 1.00100.00 C ATOM 0 H THR A 8 -22.115 -36.354 -24.280 1.00100.00 H new ATOM 0 HA THR A 8 -23.948 -37.462 -26.312 1.00100.00 H new ATOM 0 HB THR A 8 -20.982 -36.979 -26.539 1.00100.00 H new ATOM 0 HG1 THR A 8 -21.731 -35.357 -28.048 1.00100.00 H new ATOM 0 HG21 THR A 8 -21.367 -37.549 -28.916 1.00100.00 H new ATOM 0 HG22 THR A 8 -21.798 -38.907 -27.849 1.00100.00 H new ATOM 0 HG23 THR A 8 -23.076 -37.890 -28.556 1.00100.00 H new ATOM 100 N MET A 9 -23.228 -39.823 -25.946 1.00100.00 N ATOM 101 CA MET A 9 -23.036 -41.213 -25.625 1.00100.00 C ATOM 102 C MET A 9 -22.206 -41.946 -26.659 1.00100.00 C ATOM 103 O MET A 9 -21.877 -41.404 -27.716 1.00100.00 O ATOM 104 CB MET A 9 -24.401 -41.931 -25.407 1.00100.00 C ATOM 105 CG MET A 9 -24.237 -43.308 -24.767 1.00100.00 C ATOM 106 SD MET A 9 -23.454 -43.273 -23.136 1.00100.00 S ATOM 107 CE MET A 9 -22.998 -45.019 -23.011 1.00100.00 C ATOM 0 H MET A 9 -23.929 -39.678 -26.673 1.00100.00 H new ATOM 0 HA MET A 9 -22.473 -41.238 -24.692 1.00100.00 H new ATOM 0 HB2 MET A 9 -25.037 -41.312 -24.774 1.00100.00 H new ATOM 0 HB3 MET A 9 -24.910 -42.037 -26.365 1.00100.00 H new ATOM 0 HG2 MET A 9 -25.218 -43.775 -24.678 1.00100.00 H new ATOM 0 HG3 MET A 9 -23.643 -43.937 -25.430 1.00100.00 H new ATOM 0 HE1 MET A 9 -23.368 -45.425 -22.070 1.00100.00 H new ATOM 0 HE2 MET A 9 -23.438 -45.570 -23.842 1.00100.00 H new ATOM 0 HE3 MET A 9 -21.913 -45.115 -23.046 1.00100.00 H new ATOM 117 N GLU A 10 -21.567 -43.039 -26.164 1.00100.00 N ATOM 118 CA GLU A 10 -20.706 -43.997 -26.830 1.00100.00 C ATOM 119 C GLU A 10 -19.304 -43.551 -27.090 1.00100.00 C ATOM 120 O GLU A 10 -18.474 -44.354 -27.520 1.00100.00 O ATOM 121 CB GLU A 10 -21.299 -44.612 -28.123 1.00100.00 C ATOM 122 CG GLU A 10 -22.648 -45.266 -27.832 1.00100.00 C ATOM 123 CD GLU A 10 -23.208 -45.922 -29.086 1.00100.00 C ATOM 124 OE1 GLU A 10 -23.826 -45.185 -29.882 1.00100.00 O ATOM 125 OE2 GLU A 10 -23.006 -47.147 -29.225 1.00100.00 O ATOM 0 H GLU A 10 -21.668 -43.278 -25.177 1.00100.00 H new ATOM 0 HA GLU A 10 -20.653 -44.776 -26.069 1.00100.00 H new ATOM 0 HB2 GLU A 10 -21.419 -43.837 -28.880 1.00100.00 H new ATOM 0 HB3 GLU A 10 -20.610 -45.351 -28.531 1.00100.00 H new ATOM 0 HG2 GLU A 10 -22.534 -46.012 -27.045 1.00100.00 H new ATOM 0 HG3 GLU A 10 -23.349 -44.517 -27.463 1.00100.00 H new ATOM 132 N GLN A 11 -18.996 -42.277 -26.782 1.00100.00 N ATOM 133 CA GLN A 11 -17.674 -41.765 -26.956 1.00100.00 C ATOM 134 C GLN A 11 -16.875 -41.805 -25.666 1.00100.00 C ATOM 135 O GLN A 11 -15.736 -41.351 -25.630 1.00100.00 O ATOM 136 CB GLN A 11 -17.673 -40.463 -27.795 1.00100.00 C ATOM 137 CG GLN A 11 -18.503 -39.335 -27.195 1.00100.00 C ATOM 138 CD GLN A 11 -18.498 -38.140 -28.143 1.00100.00 C ATOM 139 OE1 GLN A 11 -19.072 -38.211 -29.226 1.00100.00 O ATOM 140 NE2 GLN A 11 -17.840 -37.048 -27.746 1.00100.00 N ATOM 0 H GLN A 11 -19.665 -41.602 -26.412 1.00100.00 H new ATOM 0 HA GLN A 11 -17.089 -42.434 -27.587 1.00100.00 H new ATOM 0 HB2 GLN A 11 -16.645 -40.120 -27.913 1.00100.00 H new ATOM 0 HB3 GLN A 11 -18.051 -40.686 -28.793 1.00100.00 H new ATOM 0 HG2 GLN A 11 -19.525 -39.673 -27.024 1.00100.00 H new ATOM 0 HG3 GLN A 11 -18.096 -39.046 -26.226 1.00100.00 H new ATOM 0 HE21 GLN A 11 -17.377 -37.034 -26.837 1.00100.00 H new ATOM 0 HE22 GLN A 11 -17.800 -36.228 -28.352 1.00100.00 H new ATOM 149 N GLU A 12 -17.470 -42.384 -24.584 1.00100.00 N ATOM 150 CA GLU A 12 -16.927 -42.606 -23.251 1.00100.00 C ATOM 151 C GLU A 12 -16.657 -41.381 -22.423 1.00100.00 C ATOM 152 O GLU A 12 -16.800 -40.280 -22.939 1.00100.00 O ATOM 153 CB GLU A 12 -15.817 -43.667 -23.167 1.00100.00 C ATOM 154 CG GLU A 12 -16.331 -45.026 -23.632 1.00100.00 C ATOM 155 CD GLU A 12 -15.300 -46.127 -23.408 1.00100.00 C ATOM 156 OE1 GLU A 12 -14.202 -45.800 -22.905 1.00100.00 O ATOM 157 OE2 GLU A 12 -15.632 -47.285 -23.741 1.00100.00 O ATOM 0 H GLU A 12 -18.427 -42.731 -24.650 1.00100.00 H new ATOM 0 HA GLU A 12 -17.784 -43.056 -22.749 1.00100.00 H new ATOM 0 HB2 GLU A 12 -14.970 -43.363 -23.782 1.00100.00 H new ATOM 0 HB3 GLU A 12 -15.455 -43.741 -22.141 1.00100.00 H new ATOM 0 HG2 GLU A 12 -17.247 -45.271 -23.095 1.00100.00 H new ATOM 0 HG3 GLU A 12 -16.585 -44.976 -24.691 1.00100.00 H new ATOM 164 N ILE A 13 -16.345 -41.511 -21.094 1.00100.00 N ATOM 165 CA ILE A 13 -16.111 -40.336 -20.263 1.00100.00 C ATOM 166 C ILE A 13 -14.999 -40.624 -19.257 1.00100.00 C ATOM 167 O ILE A 13 -15.085 -41.622 -18.536 1.00100.00 O ATOM 168 CB ILE A 13 -17.327 -40.042 -19.366 1.00100.00 C ATOM 169 CG1 ILE A 13 -18.589 -39.873 -20.221 1.00100.00 C ATOM 170 CG2 ILE A 13 -17.068 -38.758 -18.568 1.00100.00 C ATOM 171 CD1 ILE A 13 -19.850 -39.782 -19.360 1.00100.00 C ATOM 0 H ILE A 13 -16.257 -42.403 -20.608 1.00100.00 H new ATOM 0 HA ILE A 13 -15.885 -39.518 -20.947 1.00100.00 H new ATOM 0 HB ILE A 13 -17.477 -40.877 -18.682 1.00100.00 H new ATOM 0 HG12 ILE A 13 -18.498 -38.973 -20.829 1.00100.00 H new ATOM 0 HG13 ILE A 13 -18.678 -40.714 -20.908 1.00100.00 H new ATOM 0 HG21 ILE A 13 -17.927 -38.546 -17.931 1.00100.00 H new ATOM 0 HG22 ILE A 13 -16.180 -38.887 -17.949 1.00100.00 H new ATOM 0 HG23 ILE A 13 -16.913 -37.927 -19.256 1.00100.00 H new ATOM 0 HD11 ILE A 13 -20.722 -39.663 -20.003 1.00100.00 H new ATOM 0 HD12 ILE A 13 -19.955 -40.693 -18.771 1.00100.00 H new ATOM 0 HD13 ILE A 13 -19.773 -38.925 -18.691 1.00100.00 H new ATOM 183 N CYS A 14 -13.941 -39.766 -19.183 1.00100.00 N ATOM 184 CA CYS A 14 -12.871 -39.905 -18.208 1.00100.00 C ATOM 185 C CYS A 14 -12.722 -38.579 -17.461 1.00100.00 C ATOM 186 O CYS A 14 -13.674 -38.161 -16.800 1.00100.00 O ATOM 187 CB CYS A 14 -11.513 -40.412 -18.742 1.00100.00 C ATOM 188 SG CYS A 14 -10.327 -40.463 -17.369 1.00100.00 S ATOM 0 H CYS A 14 -13.826 -38.967 -19.806 1.00100.00 H new ATOM 0 HA CYS A 14 -13.176 -40.710 -17.539 1.00100.00 H new ATOM 0 HB2 CYS A 14 -11.626 -41.404 -19.180 1.00100.00 H new ATOM 0 HB3 CYS A 14 -11.149 -39.755 -19.531 1.00100.00 H new ATOM 0 HG CYS A 14 -9.277 -41.140 -17.728 1.00100.00 H new ATOM 194 N ALA A 15 -11.551 -37.872 -17.560 1.00100.00 N ATOM 195 CA ALA A 15 -11.294 -36.611 -16.912 1.00100.00 C ATOM 196 C ALA A 15 -11.528 -35.373 -17.757 1.00100.00 C ATOM 197 O ALA A 15 -12.497 -34.680 -17.464 1.00100.00 O ATOM 198 CB ALA A 15 -9.871 -36.526 -16.340 1.00100.00 C ATOM 0 H ALA A 15 -10.761 -38.201 -18.115 1.00100.00 H new ATOM 0 HA ALA A 15 -12.039 -36.606 -16.116 1.00100.00 H new ATOM 0 HB1 ALA A 15 -9.728 -35.557 -15.862 1.00100.00 H new ATOM 0 HB2 ALA A 15 -9.727 -37.318 -15.605 1.00100.00 H new ATOM 0 HB3 ALA A 15 -9.147 -36.643 -17.146 1.00100.00 H new ATOM 204 N HIS A 16 -10.699 -35.023 -18.798 1.00100.00 N ATOM 205 CA HIS A 16 -11.002 -33.829 -19.584 1.00100.00 C ATOM 206 C HIS A 16 -10.805 -33.732 -21.089 1.00100.00 C ATOM 207 O HIS A 16 -9.741 -33.377 -21.591 1.00100.00 O ATOM 208 CB HIS A 16 -10.524 -32.479 -18.967 1.00100.00 C ATOM 209 CG HIS A 16 -9.043 -32.340 -18.762 1.00100.00 C ATOM 210 ND1 HIS A 16 -8.355 -32.670 -17.618 1.00100.00 N ATOM 211 CD2 HIS A 16 -8.164 -31.729 -19.616 1.00100.00 C ATOM 212 CE1 HIS A 16 -7.082 -32.266 -17.790 1.00100.00 C ATOM 213 NE2 HIS A 16 -6.917 -31.687 -18.990 1.00100.00 N ATOM 0 H HIS A 16 -9.865 -35.536 -19.082 1.00100.00 H new ATOM 0 HA HIS A 16 -12.072 -34.016 -19.491 1.00100.00 H new ATOM 0 HB2 HIS A 16 -10.860 -31.668 -19.613 1.00100.00 H new ATOM 0 HB3 HIS A 16 -11.019 -32.346 -18.005 1.00100.00 H new ATOM 0 HD2 HIS A 16 -8.395 -31.347 -20.600 1.00100.00 H new ATOM 0 HE1 HIS A 16 -6.297 -32.391 -17.059 1.00100.00 H new ATOM 0 HE2 HIS A 16 -6.054 -31.295 -19.368 1.00100.00 H new ATOM 221 N SER A 17 -11.885 -34.025 -21.842 1.00100.00 N ATOM 222 CA SER A 17 -11.995 -33.943 -23.278 1.00100.00 C ATOM 223 C SER A 17 -10.986 -34.571 -24.225 1.00100.00 C ATOM 224 O SER A 17 -10.482 -33.879 -25.116 1.00100.00 O ATOM 225 CB SER A 17 -12.316 -32.478 -23.675 1.00100.00 C ATOM 226 OG SER A 17 -13.516 -32.067 -23.058 1.00100.00 O ATOM 0 H SER A 17 -12.754 -34.346 -21.414 1.00100.00 H new ATOM 0 HA SER A 17 -12.799 -34.658 -23.453 1.00100.00 H new ATOM 0 HB2 SER A 17 -11.499 -31.823 -23.374 1.00100.00 H new ATOM 0 HB3 SER A 17 -12.407 -32.397 -24.758 1.00100.00 H new ATOM 0 HG SER A 17 -13.713 -31.141 -23.311 1.00100.00 H new ATOM 232 N MET A 18 -10.652 -35.884 -24.072 1.00100.00 N ATOM 233 CA MET A 18 -9.705 -36.495 -24.989 1.00100.00 C ATOM 234 C MET A 18 -10.001 -37.795 -25.693 1.00100.00 C ATOM 235 O MET A 18 -10.853 -37.798 -26.570 1.00100.00 O ATOM 236 CB MET A 18 -8.211 -36.460 -24.590 1.00100.00 C ATOM 237 CG MET A 18 -7.499 -35.169 -24.996 1.00100.00 C ATOM 238 SD MET A 18 -7.853 -33.703 -23.998 1.00100.00 S ATOM 239 CE MET A 18 -6.839 -32.508 -24.903 1.00100.00 C ATOM 0 H MET A 18 -11.019 -36.500 -23.347 1.00100.00 H new ATOM 0 HA MET A 18 -9.917 -35.742 -25.748 1.00100.00 H new ATOM 0 HB2 MET A 18 -8.129 -36.586 -23.510 1.00100.00 H new ATOM 0 HB3 MET A 18 -7.701 -37.306 -25.050 1.00100.00 H new ATOM 0 HG2 MET A 18 -6.424 -35.349 -24.968 1.00100.00 H new ATOM 0 HG3 MET A 18 -7.758 -34.948 -26.031 1.00100.00 H new ATOM 0 HE1 MET A 18 -6.926 -31.528 -24.434 1.00100.00 H new ATOM 0 HE2 MET A 18 -5.797 -32.828 -24.886 1.00100.00 H new ATOM 0 HE3 MET A 18 -7.183 -32.447 -25.936 1.00100.00 H new ATOM 249 N THR A 19 -9.251 -38.898 -25.418 1.00100.00 N ATOM 250 CA THR A 19 -9.404 -40.164 -26.101 1.00100.00 C ATOM 251 C THR A 19 -9.239 -41.301 -25.124 1.00100.00 C ATOM 252 O THR A 19 -8.709 -41.126 -24.026 1.00100.00 O ATOM 253 CB THR A 19 -8.349 -40.317 -27.211 1.00100.00 C ATOM 254 OG1 THR A 19 -8.331 -39.136 -27.983 1.00100.00 O ATOM 255 CG2 THR A 19 -8.619 -41.495 -28.146 1.00100.00 C ATOM 0 H THR A 19 -8.522 -38.908 -24.704 1.00100.00 H new ATOM 0 HA THR A 19 -10.400 -40.188 -26.542 1.00100.00 H new ATOM 0 HB THR A 19 -7.394 -40.503 -26.719 1.00100.00 H new ATOM 0 HG1 THR A 19 -7.661 -39.220 -28.694 1.00100.00 H new ATOM 0 HG21 THR A 19 -7.837 -41.544 -28.904 1.00100.00 H new ATOM 0 HG22 THR A 19 -8.626 -42.421 -27.572 1.00100.00 H new ATOM 0 HG23 THR A 19 -9.586 -41.361 -28.630 1.00100.00 H new ATOM 263 N PHE A 20 -9.686 -42.519 -25.514 1.00100.00 N ATOM 264 CA PHE A 20 -9.604 -43.726 -24.723 1.00100.00 C ATOM 265 C PHE A 20 -8.157 -44.021 -24.395 1.00100.00 C ATOM 266 O PHE A 20 -7.825 -44.300 -23.242 1.00100.00 O ATOM 267 CB PHE A 20 -10.186 -44.904 -25.553 1.00100.00 C ATOM 268 CG PHE A 20 -10.126 -46.240 -24.850 1.00100.00 C ATOM 269 CD1 PHE A 20 -9.001 -47.063 -24.999 1.00100.00 C ATOM 270 CD2 PHE A 20 -11.197 -46.662 -24.053 1.00100.00 C ATOM 271 CE1 PHE A 20 -8.953 -48.306 -24.354 1.00100.00 C ATOM 272 CE2 PHE A 20 -11.151 -47.904 -23.410 1.00100.00 C ATOM 273 CZ PHE A 20 -10.030 -48.728 -23.562 1.00100.00 C ATOM 0 H PHE A 20 -10.125 -42.671 -26.422 1.00100.00 H new ATOM 0 HA PHE A 20 -10.166 -43.600 -23.798 1.00100.00 H new ATOM 0 HB2 PHE A 20 -11.224 -44.682 -25.801 1.00100.00 H new ATOM 0 HB3 PHE A 20 -9.641 -44.976 -26.494 1.00100.00 H new ATOM 0 HD1 PHE A 20 -8.172 -46.739 -25.611 1.00100.00 H new ATOM 0 HD2 PHE A 20 -12.062 -46.026 -23.934 1.00100.00 H new ATOM 0 HE1 PHE A 20 -8.086 -48.939 -24.467 1.00100.00 H new ATOM 0 HE2 PHE A 20 -11.980 -48.226 -22.797 1.00100.00 H new ATOM 0 HZ PHE A 20 -9.995 -49.688 -23.069 1.00100.00 H new ATOM 283 N GLU A 21 -7.271 -43.934 -25.411 1.00100.00 N ATOM 284 CA GLU A 21 -5.857 -44.163 -25.275 1.00100.00 C ATOM 285 C GLU A 21 -5.241 -43.122 -24.390 1.00100.00 C ATOM 286 O GLU A 21 -4.354 -43.414 -23.588 1.00100.00 O ATOM 287 CB GLU A 21 -5.126 -44.143 -26.627 1.00100.00 C ATOM 288 CG GLU A 21 -5.712 -45.200 -27.561 1.00100.00 C ATOM 289 CD GLU A 21 -4.997 -45.189 -28.903 1.00100.00 C ATOM 290 OE1 GLU A 21 -5.176 -44.189 -29.633 1.00100.00 O ATOM 291 OE2 GLU A 21 -4.283 -46.178 -29.177 1.00100.00 O ATOM 0 H GLU A 21 -7.549 -43.695 -26.363 1.00100.00 H new ATOM 0 HA GLU A 21 -5.747 -45.155 -24.836 1.00100.00 H new ATOM 0 HB2 GLU A 21 -5.215 -43.156 -27.082 1.00100.00 H new ATOM 0 HB3 GLU A 21 -4.063 -44.330 -26.476 1.00100.00 H new ATOM 0 HG2 GLU A 21 -5.623 -46.186 -27.104 1.00100.00 H new ATOM 0 HG3 GLU A 21 -6.776 -45.012 -27.709 1.00100.00 H new ATOM 298 N GLU A 22 -5.716 -41.870 -24.547 1.00100.00 N ATOM 299 CA GLU A 22 -5.284 -40.718 -23.811 1.00100.00 C ATOM 300 C GLU A 22 -5.738 -40.698 -22.380 1.00100.00 C ATOM 301 O GLU A 22 -5.104 -40.025 -21.566 1.00100.00 O ATOM 302 CB GLU A 22 -5.742 -39.416 -24.494 1.00100.00 C ATOM 303 CG GLU A 22 -5.137 -39.265 -25.888 1.00100.00 C ATOM 304 CD GLU A 22 -3.636 -39.042 -25.804 1.00100.00 C ATOM 305 OE1 GLU A 22 -3.251 -38.005 -25.221 1.00100.00 O ATOM 306 OE2 GLU A 22 -2.902 -39.907 -26.327 1.00100.00 O ATOM 0 H GLU A 22 -6.444 -41.650 -25.227 1.00100.00 H new ATOM 0 HA GLU A 22 -4.196 -40.785 -23.806 1.00100.00 H new ATOM 0 HB2 GLU A 22 -6.830 -39.406 -24.567 1.00100.00 H new ATOM 0 HB3 GLU A 22 -5.456 -38.563 -23.879 1.00100.00 H new ATOM 0 HG2 GLU A 22 -5.344 -40.158 -26.478 1.00100.00 H new ATOM 0 HG3 GLU A 22 -5.605 -38.427 -26.404 1.00100.00 H new ATOM 313 N CYS A 23 -6.755 -41.519 -22.002 1.00100.00 N ATOM 314 CA CYS A 23 -7.319 -41.528 -20.670 1.00100.00 C ATOM 315 C CYS A 23 -6.339 -41.718 -19.537 1.00100.00 C ATOM 316 O CYS A 23 -6.481 -40.953 -18.584 1.00100.00 O ATOM 317 CB CYS A 23 -8.400 -42.598 -20.517 1.00100.00 C ATOM 318 SG CYS A 23 -8.938 -42.812 -18.806 1.00100.00 S ATOM 0 H CYS A 23 -7.193 -42.189 -22.634 1.00100.00 H new ATOM 0 HA CYS A 23 -7.727 -40.521 -20.583 1.00100.00 H new ATOM 0 HB2 CYS A 23 -9.259 -42.330 -21.132 1.00100.00 H new ATOM 0 HB3 CYS A 23 -8.021 -43.547 -20.895 1.00100.00 H new ATOM 0 HG CYS A 23 -9.969 -42.053 -18.577 1.00100.00 H new ATOM 324 N PRO A 24 -5.336 -42.660 -19.541 1.00100.00 N ATOM 325 CA PRO A 24 -4.401 -42.766 -18.443 1.00100.00 C ATOM 326 C PRO A 24 -3.588 -41.512 -18.244 1.00100.00 C ATOM 327 O PRO A 24 -3.184 -41.273 -17.104 1.00100.00 O ATOM 328 CB PRO A 24 -3.547 -44.008 -18.708 1.00100.00 C ATOM 329 CG PRO A 24 -3.655 -44.158 -20.228 1.00100.00 C ATOM 330 CD PRO A 24 -5.065 -43.659 -20.546 1.00100.00 C ATOM 0 HA PRO A 24 -4.933 -42.876 -17.498 1.00100.00 H new ATOM 0 HB2 PRO A 24 -2.515 -43.869 -18.385 1.00100.00 H new ATOM 0 HB3 PRO A 24 -3.929 -44.884 -18.184 1.00100.00 H new ATOM 0 HG2 PRO A 24 -2.897 -43.568 -20.743 1.00100.00 H new ATOM 0 HG3 PRO A 24 -3.518 -45.194 -20.538 1.00100.00 H new ATOM 0 HD2 PRO A 24 -5.118 -43.236 -21.549 1.00100.00 H new ATOM 0 HD3 PRO A 24 -5.791 -44.471 -20.503 1.00100.00 H new ATOM 338 N LYS A 25 -3.326 -40.728 -19.331 1.00100.00 N ATOM 339 CA LYS A 25 -2.586 -39.494 -19.242 1.00100.00 C ATOM 340 C LYS A 25 -3.331 -38.533 -18.386 1.00100.00 C ATOM 341 O LYS A 25 -2.719 -37.911 -17.511 1.00100.00 O ATOM 342 CB LYS A 25 -2.317 -38.775 -20.574 1.00100.00 C ATOM 343 CG LYS A 25 -1.531 -39.701 -21.500 1.00100.00 C ATOM 344 CD LYS A 25 -1.163 -38.949 -22.776 1.00100.00 C ATOM 345 CE LYS A 25 -0.389 -39.864 -23.723 1.00100.00 C ATOM 346 NZ LYS A 25 -1.208 -41.010 -24.147 1.00100.00 N ATOM 0 H LYS A 25 -3.633 -40.958 -20.276 1.00100.00 H new ATOM 0 HA LYS A 25 -1.619 -39.791 -18.836 1.00100.00 H new ATOM 0 HB2 LYS A 25 -3.259 -38.488 -21.042 1.00100.00 H new ATOM 0 HB3 LYS A 25 -1.756 -37.857 -20.398 1.00100.00 H new ATOM 0 HG2 LYS A 25 -0.629 -40.054 -21.000 1.00100.00 H new ATOM 0 HG3 LYS A 25 -2.126 -40.582 -21.742 1.00100.00 H new ATOM 0 HD2 LYS A 25 -2.066 -38.586 -23.266 1.00100.00 H new ATOM 0 HD3 LYS A 25 -0.561 -38.074 -22.530 1.00100.00 H new ATOM 0 HE2 LYS A 25 -0.070 -39.299 -24.599 1.00100.00 H new ATOM 0 HE3 LYS A 25 0.514 -40.223 -23.229 1.00100.00 H new ATOM 0 HZ1 LYS A 25 -0.748 -41.488 -24.948 1.00100.00 H new ATOM 0 HZ2 LYS A 25 -1.307 -41.678 -23.356 1.00100.00 H new ATOM 0 HZ3 LYS A 25 -2.149 -40.676 -24.438 1.00100.00 H new ATOM 360 N CYS A 26 -4.666 -38.413 -18.611 1.00100.00 N ATOM 361 CA CYS A 26 -5.378 -37.527 -17.760 1.00100.00 C ATOM 362 C CYS A 26 -6.417 -38.145 -16.921 1.00100.00 C ATOM 363 O CYS A 26 -7.519 -38.502 -17.335 1.00100.00 O ATOM 364 CB CYS A 26 -5.827 -36.185 -18.318 1.00100.00 C ATOM 365 SG CYS A 26 -6.783 -35.293 -17.072 1.00100.00 S ATOM 0 H CYS A 26 -5.207 -38.895 -19.329 1.00100.00 H new ATOM 0 HA CYS A 26 -4.550 -37.259 -17.104 1.00100.00 H new ATOM 0 HB2 CYS A 26 -4.959 -35.596 -18.615 1.00100.00 H new ATOM 0 HB3 CYS A 26 -6.431 -36.337 -19.213 1.00100.00 H new ATOM 0 HG CYS A 26 -7.683 -34.561 -17.658 1.00100.00 H new ATOM 371 N SER A 27 -5.943 -38.290 -15.684 1.00100.00 N ATOM 372 CA SER A 27 -6.588 -38.729 -14.488 1.00100.00 C ATOM 373 C SER A 27 -6.140 -37.596 -13.558 1.00100.00 C ATOM 374 O SER A 27 -6.012 -37.765 -12.344 1.00100.00 O ATOM 375 CB SER A 27 -6.009 -40.076 -14.000 1.00100.00 C ATOM 376 OG SER A 27 -6.238 -41.065 -14.981 1.00100.00 O ATOM 0 H SER A 27 -4.966 -38.067 -15.494 1.00100.00 H new ATOM 0 HA SER A 27 -7.662 -38.897 -14.570 1.00100.00 H new ATOM 0 HB2 SER A 27 -4.940 -39.978 -13.809 1.00100.00 H new ATOM 0 HB3 SER A 27 -6.476 -40.366 -13.059 1.00100.00 H new ATOM 0 HG SER A 27 -5.870 -41.920 -14.675 1.00100.00 H new ATOM 382 N ALA A 28 -5.916 -36.389 -14.153 1.00100.00 N ATOM 383 CA ALA A 28 -5.437 -35.185 -13.568 1.00100.00 C ATOM 384 C ALA A 28 -6.439 -34.518 -12.695 1.00100.00 C ATOM 385 O ALA A 28 -7.629 -34.823 -12.722 1.00100.00 O ATOM 386 CB ALA A 28 -4.924 -34.171 -14.612 1.00100.00 C ATOM 0 H ALA A 28 -6.096 -36.265 -15.149 1.00100.00 H new ATOM 0 HA ALA A 28 -4.599 -35.505 -12.949 1.00100.00 H new ATOM 0 HB1 ALA A 28 -4.572 -33.273 -14.104 1.00100.00 H new ATOM 0 HB2 ALA A 28 -4.104 -34.614 -15.177 1.00100.00 H new ATOM 0 HB3 ALA A 28 -5.734 -33.909 -15.293 1.00100.00 H new ATOM 392 N LEU A 29 -5.924 -33.528 -11.943 1.00100.00 N ATOM 393 CA LEU A 29 -6.615 -32.749 -10.969 1.00100.00 C ATOM 394 C LEU A 29 -7.805 -32.025 -11.511 1.00100.00 C ATOM 395 O LEU A 29 -8.800 -31.930 -10.790 1.00100.00 O ATOM 396 CB LEU A 29 -5.701 -31.670 -10.356 1.00100.00 C ATOM 397 CG LEU A 29 -4.453 -32.285 -9.715 1.00100.00 C ATOM 398 CD1 LEU A 29 -3.569 -31.162 -9.175 1.00100.00 C ATOM 399 CD2 LEU A 29 -4.832 -33.220 -8.567 1.00100.00 C ATOM 0 H LEU A 29 -4.945 -33.254 -12.026 1.00100.00 H new ATOM 0 HA LEU A 29 -6.937 -33.480 -10.227 1.00100.00 H new ATOM 0 HB2 LEU A 29 -5.402 -30.963 -11.130 1.00100.00 H new ATOM 0 HB3 LEU A 29 -6.255 -31.106 -9.606 1.00100.00 H new ATOM 0 HG LEU A 29 -3.920 -32.863 -10.470 1.00100.00 H new ATOM 0 HD11 LEU A 29 -2.677 -31.589 -8.716 1.00100.00 H new ATOM 0 HD12 LEU A 29 -3.276 -30.504 -9.993 1.00100.00 H new ATOM 0 HD13 LEU A 29 -4.122 -30.590 -8.430 1.00100.00 H new ATOM 0 HD21 LEU A 29 -3.928 -33.643 -8.129 1.00100.00 H new ATOM 0 HD22 LEU A 29 -5.376 -32.660 -7.806 1.00100.00 H new ATOM 0 HD23 LEU A 29 -5.463 -34.024 -8.946 1.00100.00 H new ATOM 411 N GLN A 30 -7.750 -31.506 -12.760 1.00100.00 N ATOM 412 CA GLN A 30 -8.844 -30.747 -13.313 1.00100.00 C ATOM 413 C GLN A 30 -10.158 -31.468 -13.455 1.00100.00 C ATOM 414 O GLN A 30 -11.164 -30.932 -12.991 1.00100.00 O ATOM 415 CB GLN A 30 -8.476 -30.117 -14.676 1.00100.00 C ATOM 416 CG GLN A 30 -7.318 -29.132 -14.534 1.00100.00 C ATOM 417 CD GLN A 30 -7.735 -27.931 -13.697 1.00100.00 C ATOM 418 OE1 GLN A 30 -8.717 -27.264 -14.016 1.00100.00 O ATOM 419 NE2 GLN A 30 -6.989 -27.659 -12.623 1.00100.00 N ATOM 0 H GLN A 30 -6.951 -31.611 -13.386 1.00100.00 H new ATOM 0 HA GLN A 30 -9.003 -29.981 -12.554 1.00100.00 H new ATOM 0 HB2 GLN A 30 -8.204 -30.902 -15.381 1.00100.00 H new ATOM 0 HB3 GLN A 30 -9.345 -29.604 -15.089 1.00100.00 H new ATOM 0 HG2 GLN A 30 -6.466 -29.628 -14.068 1.00100.00 H new ATOM 0 HG3 GLN A 30 -6.993 -28.800 -15.520 1.00100.00 H new ATOM 0 HE21 GLN A 30 -6.183 -28.243 -12.401 1.00100.00 H new ATOM 0 HE22 GLN A 30 -7.225 -26.867 -12.025 1.00100.00 H new ATOM 428 N TYR A 31 -10.178 -32.694 -14.050 1.00100.00 N ATOM 429 CA TYR A 31 -11.375 -33.508 -14.265 1.00100.00 C ATOM 430 C TYR A 31 -12.503 -32.705 -14.922 1.00100.00 C ATOM 431 O TYR A 31 -13.676 -32.879 -14.580 1.00100.00 O ATOM 432 CB TYR A 31 -11.970 -34.197 -12.990 1.00100.00 C ATOM 433 CG TYR A 31 -10.989 -35.095 -12.274 1.00100.00 C ATOM 434 CD1 TYR A 31 -10.667 -36.348 -12.814 1.00100.00 C ATOM 435 CD2 TYR A 31 -10.416 -34.680 -11.064 1.00100.00 C ATOM 436 CE1 TYR A 31 -9.772 -37.193 -12.144 1.00100.00 C ATOM 437 CE2 TYR A 31 -9.522 -35.519 -10.386 1.00100.00 C ATOM 438 CZ TYR A 31 -9.198 -36.782 -10.924 1.00100.00 C ATOM 439 OH TYR A 31 -8.330 -37.603 -10.266 1.00100.00 O ATOM 0 H TYR A 31 -9.330 -33.142 -14.397 1.00100.00 H new ATOM 0 HA TYR A 31 -11.008 -34.297 -14.921 1.00100.00 H new ATOM 0 HB2 TYR A 31 -12.316 -33.428 -12.300 1.00100.00 H new ATOM 0 HB3 TYR A 31 -12.843 -34.783 -13.278 1.00100.00 H new ATOM 0 HD1 TYR A 31 -11.109 -36.663 -13.748 1.00100.00 H new ATOM 0 HD2 TYR A 31 -10.664 -33.712 -10.654 1.00100.00 H new ATOM 0 HE1 TYR A 31 -9.523 -38.157 -12.562 1.00100.00 H new ATOM 0 HE2 TYR A 31 -9.082 -35.199 -9.453 1.00100.00 H new ATOM 0 HH TYR A 31 -7.526 -37.733 -10.811 1.00100.00 H new ATOM 449 N ARG A 32 -12.184 -31.833 -15.913 1.00100.00 N ATOM 450 CA ARG A 32 -13.175 -30.977 -16.533 1.00100.00 C ATOM 451 C ARG A 32 -14.354 -31.574 -17.264 1.00100.00 C ATOM 452 O ARG A 32 -15.477 -31.142 -16.998 1.00100.00 O ATOM 453 CB ARG A 32 -12.541 -29.917 -17.466 1.00100.00 C ATOM 454 CG ARG A 32 -11.879 -28.828 -16.624 1.00100.00 C ATOM 455 CD ARG A 32 -11.355 -27.707 -17.519 1.00100.00 C ATOM 456 NE ARG A 32 -10.233 -28.164 -18.343 1.00100.00 N ATOM 457 CZ ARG A 32 -8.948 -27.885 -18.076 1.00100.00 C ATOM 458 NH1 ARG A 32 -8.615 -27.142 -17.011 1.00100.00 N ATOM 459 NH2 ARG A 32 -7.986 -28.358 -18.881 1.00100.00 N ATOM 0 H ARG A 32 -11.241 -31.720 -16.286 1.00100.00 H new ATOM 0 HA ARG A 32 -13.607 -30.561 -15.623 1.00100.00 H new ATOM 0 HB2 ARG A 32 -11.804 -30.385 -18.118 1.00100.00 H new ATOM 0 HB3 ARG A 32 -13.305 -29.480 -18.110 1.00100.00 H new ATOM 0 HG2 ARG A 32 -12.597 -28.426 -15.909 1.00100.00 H new ATOM 0 HG3 ARG A 32 -11.059 -29.254 -16.047 1.00100.00 H new ATOM 0 HD2 ARG A 32 -12.158 -27.347 -18.162 1.00100.00 H new ATOM 0 HD3 ARG A 32 -11.038 -26.865 -16.903 1.00100.00 H new ATOM 0 HE ARG A 32 -10.441 -28.727 -19.168 1.00100.00 H new ATOM 0 HH11 ARG A 32 -9.342 -26.782 -16.393 1.00100.00 H new ATOM 0 HH12 ARG A 32 -7.635 -26.937 -16.819 1.00100.00 H new ATOM 0 HH21 ARG A 32 -8.233 -28.926 -19.691 1.00100.00 H new ATOM 0 HH22 ARG A 32 -7.007 -28.149 -18.683 1.00100.00 H new ATOM 473 N ASN A 33 -14.160 -32.565 -18.171 1.00100.00 N ATOM 474 CA ASN A 33 -15.272 -33.153 -18.900 1.00100.00 C ATOM 475 C ASN A 33 -15.148 -34.655 -18.908 1.00100.00 C ATOM 476 O ASN A 33 -15.806 -35.341 -18.126 1.00100.00 O ATOM 477 CB ASN A 33 -15.397 -32.674 -20.373 1.00100.00 C ATOM 478 CG ASN A 33 -15.605 -31.167 -20.421 1.00100.00 C ATOM 479 OD1 ASN A 33 -16.690 -30.681 -20.115 1.00100.00 O ATOM 480 ND2 ASN A 33 -14.557 -30.428 -20.794 1.00100.00 N ATOM 0 H ASN A 33 -13.248 -32.958 -18.401 1.00100.00 H new ATOM 0 HA ASN A 33 -16.167 -32.822 -18.373 1.00100.00 H new ATOM 0 HB2 ASN A 33 -14.498 -32.942 -20.928 1.00100.00 H new ATOM 0 HB3 ASN A 33 -16.233 -33.179 -20.857 1.00100.00 H new ATOM 0 HD21 ASN A 33 -14.638 -29.412 -20.834 1.00100.00 H new ATOM 0 HD22 ASN A 33 -13.676 -30.880 -21.039 1.00100.00 H new ATOM 487 N GLY A 34 -14.290 -35.195 -19.813 1.00100.00 N ATOM 488 CA GLY A 34 -14.050 -36.602 -19.937 1.00100.00 C ATOM 489 C GLY A 34 -12.879 -36.781 -20.851 1.00100.00 C ATOM 490 O GLY A 34 -12.965 -36.486 -22.038 1.00100.00 O ATOM 0 H GLY A 34 -13.753 -34.632 -20.472 1.00100.00 H new ATOM 0 HA2 GLY A 34 -13.846 -37.043 -18.961 1.00100.00 H new ATOM 0 HA3 GLY A 34 -14.929 -37.107 -20.337 1.00100.00 H new ATOM 494 N PHE A 35 -11.775 -37.377 -20.356 1.00100.00 N ATOM 495 CA PHE A 35 -10.555 -37.565 -21.100 1.00100.00 C ATOM 496 C PHE A 35 -10.714 -38.688 -22.087 1.00100.00 C ATOM 497 O PHE A 35 -9.798 -38.898 -22.874 1.00100.00 O ATOM 498 CB PHE A 35 -9.316 -37.779 -20.203 1.00100.00 C ATOM 499 CG PHE A 35 -8.104 -37.068 -20.763 1.00100.00 C ATOM 500 CD1 PHE A 35 -8.059 -35.669 -20.755 1.00100.00 C ATOM 501 CD2 PHE A 35 -7.028 -37.790 -21.286 1.00100.00 C ATOM 502 CE1 PHE A 35 -6.947 -34.988 -21.264 1.00100.00 C ATOM 503 CE2 PHE A 35 -5.903 -37.112 -21.780 1.00100.00 C ATOM 504 CZ PHE A 35 -5.865 -35.713 -21.779 1.00100.00 C ATOM 0 H PHE A 35 -11.726 -37.742 -19.405 1.00100.00 H new ATOM 0 HA PHE A 35 -10.371 -36.637 -21.641 1.00100.00 H new ATOM 0 HB2 PHE A 35 -9.524 -37.412 -19.198 1.00100.00 H new ATOM 0 HB3 PHE A 35 -9.107 -38.845 -20.116 1.00100.00 H new ATOM 0 HD1 PHE A 35 -8.890 -35.110 -20.352 1.00100.00 H new ATOM 0 HD2 PHE A 35 -7.062 -38.869 -21.310 1.00100.00 H new ATOM 0 HE1 PHE A 35 -6.923 -33.908 -21.260 1.00100.00 H new ATOM 0 HE2 PHE A 35 -5.063 -37.672 -22.163 1.00100.00 H new ATOM 0 HZ PHE A 35 -5.004 -35.194 -22.174 1.00100.00 H new ATOM 514 N TYR A 36 -11.814 -39.483 -22.012 1.00100.00 N ATOM 515 CA TYR A 36 -12.072 -40.491 -23.012 1.00100.00 C ATOM 516 C TYR A 36 -13.136 -39.903 -23.934 1.00100.00 C ATOM 517 O TYR A 36 -13.250 -40.338 -25.078 1.00100.00 O ATOM 518 CB TYR A 36 -12.853 -41.781 -22.632 1.00100.00 C ATOM 519 CG TYR A 36 -12.361 -42.834 -21.660 1.00100.00 C ATOM 520 CD1 TYR A 36 -12.782 -42.793 -20.333 1.00100.00 C ATOM 521 CD2 TYR A 36 -11.740 -44.001 -22.112 1.00100.00 C ATOM 522 CE1 TYR A 36 -12.436 -43.796 -19.421 1.00100.00 C ATOM 523 CE2 TYR A 36 -11.344 -45.005 -21.217 1.00100.00 C ATOM 524 CZ TYR A 36 -11.676 -44.898 -19.854 1.00100.00 C ATOM 525 OH TYR A 36 -11.322 -45.878 -18.976 1.00100.00 O ATOM 0 H TYR A 36 -12.513 -39.428 -21.271 1.00100.00 H new ATOM 0 HA TYR A 36 -11.064 -40.742 -23.341 1.00100.00 H new ATOM 0 HB2 TYR A 36 -13.818 -41.447 -22.250 1.00100.00 H new ATOM 0 HB3 TYR A 36 -13.045 -42.303 -23.569 1.00100.00 H new ATOM 0 HD1 TYR A 36 -13.391 -41.966 -19.999 1.00100.00 H new ATOM 0 HD2 TYR A 36 -11.562 -44.132 -23.169 1.00100.00 H new ATOM 0 HE1 TYR A 36 -12.751 -43.725 -18.390 1.00100.00 H new ATOM 0 HE2 TYR A 36 -10.786 -45.858 -21.573 1.00100.00 H new ATOM 0 HH TYR A 36 -10.800 -46.563 -19.444 1.00100.00 H new ATOM 535 N LEU A 37 -13.855 -38.834 -23.482 1.00100.00 N ATOM 536 CA LEU A 37 -14.995 -38.253 -24.141 1.00100.00 C ATOM 537 C LEU A 37 -14.908 -37.722 -25.513 1.00100.00 C ATOM 538 O LEU A 37 -15.771 -38.125 -26.286 1.00100.00 O ATOM 539 CB LEU A 37 -15.672 -37.187 -23.228 1.00100.00 C ATOM 540 CG LEU A 37 -16.980 -36.597 -23.760 1.00100.00 C ATOM 541 CD1 LEU A 37 -18.108 -37.624 -23.738 1.00100.00 C ATOM 542 CD2 LEU A 37 -17.369 -35.423 -22.859 1.00100.00 C ATOM 0 H LEU A 37 -13.622 -38.357 -22.611 1.00100.00 H new ATOM 0 HA LEU A 37 -15.583 -39.157 -24.300 1.00100.00 H new ATOM 0 HB2 LEU A 37 -15.867 -37.639 -22.255 1.00100.00 H new ATOM 0 HB3 LEU A 37 -14.966 -36.372 -23.066 1.00100.00 H new ATOM 0 HG LEU A 37 -16.829 -36.281 -24.792 1.00100.00 H new ATOM 0 HD11 LEU A 37 -19.021 -37.170 -24.123 1.00100.00 H new ATOM 0 HD12 LEU A 37 -17.836 -38.476 -24.361 1.00100.00 H new ATOM 0 HD13 LEU A 37 -18.274 -37.961 -22.715 1.00100.00 H new ATOM 0 HD21 LEU A 37 -18.300 -34.983 -23.216 1.00100.00 H new ATOM 0 HD22 LEU A 37 -17.504 -35.778 -21.837 1.00100.00 H new ATOM 0 HD23 LEU A 37 -16.580 -34.671 -22.881 1.00100.00 H new ATOM 554 N LEU A 38 -13.908 -36.895 -25.896 1.00100.00 N ATOM 555 CA LEU A 38 -13.938 -36.410 -27.257 1.00100.00 C ATOM 556 C LEU A 38 -13.828 -37.461 -28.314 1.00100.00 C ATOM 557 O LEU A 38 -14.548 -37.373 -29.312 1.00100.00 O ATOM 558 CB LEU A 38 -13.007 -35.245 -27.643 1.00100.00 C ATOM 559 CG LEU A 38 -13.334 -33.960 -26.881 1.00100.00 C ATOM 560 CD1 LEU A 38 -12.415 -32.853 -27.394 1.00100.00 C ATOM 561 CD2 LEU A 38 -14.785 -33.522 -27.093 1.00100.00 C ATOM 0 H LEU A 38 -13.131 -36.578 -25.316 1.00100.00 H new ATOM 0 HA LEU A 38 -14.948 -36.002 -27.234 1.00100.00 H new ATOM 0 HB2 LEU A 38 -11.973 -35.529 -27.445 1.00100.00 H new ATOM 0 HB3 LEU A 38 -13.087 -35.059 -28.714 1.00100.00 H new ATOM 0 HG LEU A 38 -13.189 -34.147 -25.817 1.00100.00 H new ATOM 0 HD11 LEU A 38 -12.631 -31.926 -26.863 1.00100.00 H new ATOM 0 HD12 LEU A 38 -11.376 -33.135 -27.224 1.00100.00 H new ATOM 0 HD13 LEU A 38 -12.581 -32.708 -28.461 1.00100.00 H new ATOM 0 HD21 LEU A 38 -14.974 -32.606 -26.534 1.00100.00 H new ATOM 0 HD22 LEU A 38 -14.960 -33.342 -28.154 1.00100.00 H new ATOM 0 HD23 LEU A 38 -15.457 -34.306 -26.742 1.00100.00 H new ATOM 573 N LYS A 39 -12.959 -38.475 -28.117 1.00100.00 N ATOM 574 CA LYS A 39 -12.836 -39.474 -29.133 1.00100.00 C ATOM 575 C LYS A 39 -12.714 -40.876 -28.610 1.00100.00 C ATOM 576 O LYS A 39 -11.894 -41.174 -27.742 1.00100.00 O ATOM 577 CB LYS A 39 -11.650 -39.147 -30.077 1.00100.00 C ATOM 578 CG LYS A 39 -11.594 -40.143 -31.234 1.00100.00 C ATOM 579 CD LYS A 39 -10.557 -39.715 -32.272 1.00100.00 C ATOM 580 CE LYS A 39 -9.158 -39.757 -31.664 1.00100.00 C ATOM 581 NZ LYS A 39 -8.138 -39.393 -32.660 1.00100.00 N ATOM 0 H LYS A 39 -12.369 -38.600 -27.295 1.00100.00 H new ATOM 0 HA LYS A 39 -13.774 -39.444 -29.688 1.00100.00 H new ATOM 0 HB2 LYS A 39 -11.756 -38.134 -30.466 1.00100.00 H new ATOM 0 HB3 LYS A 39 -10.714 -39.177 -29.518 1.00100.00 H new ATOM 0 HG2 LYS A 39 -11.347 -41.134 -30.854 1.00100.00 H new ATOM 0 HG3 LYS A 39 -12.575 -40.217 -31.703 1.00100.00 H new ATOM 0 HD2 LYS A 39 -10.605 -40.374 -33.139 1.00100.00 H new ATOM 0 HD3 LYS A 39 -10.779 -38.708 -32.625 1.00100.00 H new ATOM 0 HE2 LYS A 39 -9.105 -39.072 -30.817 1.00100.00 H new ATOM 0 HE3 LYS A 39 -8.955 -40.756 -31.279 1.00100.00 H new ATOM 0 HZ1 LYS A 39 -7.196 -39.429 -32.221 1.00100.00 H new ATOM 0 HZ2 LYS A 39 -8.175 -40.062 -33.456 1.00100.00 H new ATOM 0 HZ3 LYS A 39 -8.321 -38.430 -33.008 1.00100.00 H new ATOM 595 N TYR A 40 -13.578 -41.770 -29.138 1.00100.00 N ATOM 596 CA TYR A 40 -13.564 -43.179 -28.834 1.00100.00 C ATOM 597 C TYR A 40 -13.204 -43.909 -30.126 1.00100.00 C ATOM 598 O TYR A 40 -13.188 -45.141 -30.177 1.00100.00 O ATOM 599 CB TYR A 40 -14.909 -43.701 -28.246 1.00100.00 C ATOM 600 CG TYR A 40 -14.836 -45.126 -27.753 1.00100.00 C ATOM 601 CD1 TYR A 40 -13.911 -45.466 -26.756 1.00100.00 C ATOM 602 CD2 TYR A 40 -15.691 -46.102 -28.283 1.00100.00 C ATOM 603 CE1 TYR A 40 -13.830 -46.785 -26.293 1.00100.00 C ATOM 604 CE2 TYR A 40 -15.621 -47.422 -27.820 1.00100.00 C ATOM 605 CZ TYR A 40 -14.688 -47.769 -26.822 1.00100.00 C ATOM 606 OH TYR A 40 -14.614 -49.051 -26.363 1.00100.00 O ATOM 0 H TYR A 40 -14.310 -41.507 -29.797 1.00100.00 H new ATOM 0 HA TYR A 40 -12.830 -43.368 -28.051 1.00100.00 H new ATOM 0 HB2 TYR A 40 -15.212 -43.055 -27.422 1.00100.00 H new ATOM 0 HB3 TYR A 40 -15.683 -43.628 -29.010 1.00100.00 H new ATOM 0 HD1 TYR A 40 -13.260 -44.709 -26.344 1.00100.00 H new ATOM 0 HD2 TYR A 40 -16.404 -45.836 -29.049 1.00100.00 H new ATOM 0 HE1 TYR A 40 -13.111 -47.048 -25.531 1.00100.00 H new ATOM 0 HE2 TYR A 40 -16.281 -48.173 -28.227 1.00100.00 H new ATOM 0 HH TYR A 40 -15.274 -49.604 -26.830 1.00100.00 H new ATOM 616 N ASP A 41 -12.833 -43.147 -31.191 1.00100.00 N ATOM 617 CA ASP A 41 -12.471 -43.617 -32.511 1.00100.00 C ATOM 618 C ASP A 41 -13.602 -44.349 -33.193 1.00100.00 C ATOM 619 O ASP A 41 -13.383 -45.265 -33.989 1.00100.00 O ATOM 620 CB ASP A 41 -11.182 -44.503 -32.523 1.00100.00 C ATOM 621 CG ASP A 41 -9.990 -43.748 -31.947 1.00100.00 C ATOM 622 OD1 ASP A 41 -9.559 -42.782 -32.612 1.00100.00 O ATOM 623 OD2 ASP A 41 -9.530 -44.153 -30.857 1.00100.00 O ATOM 0 H ASP A 41 -12.783 -42.131 -31.122 1.00100.00 H new ATOM 0 HA ASP A 41 -12.253 -42.711 -33.076 1.00100.00 H new ATOM 0 HB2 ASP A 41 -11.356 -45.410 -31.944 1.00100.00 H new ATOM 0 HB3 ASP A 41 -10.960 -44.814 -33.544 1.00100.00 H new ATOM 628 N GLU A 42 -14.855 -43.920 -32.913 1.00100.00 N ATOM 629 CA GLU A 42 -16.006 -44.529 -33.514 1.00100.00 C ATOM 630 C GLU A 42 -16.465 -43.600 -34.600 1.00100.00 C ATOM 631 O GLU A 42 -16.570 -42.388 -34.400 1.00100.00 O ATOM 632 CB GLU A 42 -17.157 -44.794 -32.518 1.00100.00 C ATOM 633 CG GLU A 42 -18.343 -45.501 -33.171 1.00100.00 C ATOM 634 CD GLU A 42 -19.415 -45.806 -32.131 1.00100.00 C ATOM 635 OE1 GLU A 42 -19.085 -46.537 -31.171 1.00100.00 O ATOM 636 OE2 GLU A 42 -20.545 -45.300 -32.308 1.00100.00 O ATOM 0 H GLU A 42 -15.067 -43.155 -32.273 1.00100.00 H new ATOM 0 HA GLU A 42 -15.727 -45.511 -33.897 1.00100.00 H new ATOM 0 HB2 GLU A 42 -16.786 -45.401 -31.692 1.00100.00 H new ATOM 0 HB3 GLU A 42 -17.491 -43.847 -32.093 1.00100.00 H new ATOM 0 HG2 GLU A 42 -18.760 -44.874 -33.960 1.00100.00 H new ATOM 0 HG3 GLU A 42 -18.010 -46.426 -33.642 1.00100.00 H new ATOM 643 N GLU A 43 -16.711 -44.168 -35.805 1.00100.00 N ATOM 644 CA GLU A 43 -17.164 -43.413 -36.943 1.00100.00 C ATOM 645 C GLU A 43 -18.598 -43.041 -36.683 1.00100.00 C ATOM 646 O GLU A 43 -19.413 -43.890 -36.308 1.00100.00 O ATOM 647 CB GLU A 43 -17.108 -44.214 -38.257 1.00100.00 C ATOM 648 CG GLU A 43 -15.671 -44.574 -38.631 1.00100.00 C ATOM 649 CD GLU A 43 -15.615 -45.352 -39.942 1.00100.00 C ATOM 650 OE1 GLU A 43 -16.618 -45.302 -40.688 1.00100.00 O ATOM 651 OE2 GLU A 43 -14.564 -45.986 -40.177 1.00100.00 O ATOM 0 H GLU A 43 -16.594 -45.164 -35.990 1.00100.00 H new ATOM 0 HA GLU A 43 -16.511 -42.548 -37.063 1.00100.00 H new ATOM 0 HB2 GLU A 43 -17.698 -45.125 -38.155 1.00100.00 H new ATOM 0 HB3 GLU A 43 -17.559 -43.631 -39.060 1.00100.00 H new ATOM 0 HG2 GLU A 43 -15.078 -43.664 -38.721 1.00100.00 H new ATOM 0 HG3 GLU A 43 -15.224 -45.168 -37.834 1.00100.00 H new ATOM 658 N TRP A 44 -18.912 -41.737 -36.865 1.00100.00 N ATOM 659 CA TRP A 44 -20.237 -41.222 -36.638 1.00100.00 C ATOM 660 C TRP A 44 -20.851 -40.692 -37.888 1.00100.00 C ATOM 661 O TRP A 44 -20.231 -39.916 -38.619 1.00100.00 O ATOM 662 CB TRP A 44 -20.327 -40.084 -35.595 1.00100.00 C ATOM 663 CG TRP A 44 -20.173 -40.503 -34.172 1.00100.00 C ATOM 664 CD1 TRP A 44 -19.011 -40.600 -33.491 1.00100.00 C ATOM 665 CD2 TRP A 44 -21.222 -40.867 -33.229 1.00100.00 C ATOM 666 NE1 TRP A 44 -19.268 -41.001 -32.196 1.00100.00 N ATOM 667 CE2 TRP A 44 -20.620 -41.178 -31.981 1.00100.00 C ATOM 668 CE3 TRP A 44 -22.624 -40.955 -33.306 1.00100.00 C ATOM 669 CZ2 TRP A 44 -21.370 -41.564 -30.865 1.00100.00 C ATOM 670 CZ3 TRP A 44 -23.387 -41.334 -32.192 1.00100.00 C ATOM 671 CH2 TRP A 44 -22.765 -41.640 -30.974 1.00100.00 C ATOM 0 H TRP A 44 -18.240 -41.034 -37.172 1.00100.00 H new ATOM 0 HA TRP A 44 -20.771 -42.092 -36.256 1.00100.00 H new ATOM 0 HB2 TRP A 44 -19.559 -39.345 -35.823 1.00100.00 H new ATOM 0 HB3 TRP A 44 -21.291 -39.588 -35.707 1.00100.00 H new ATOM 0 HD1 TRP A 44 -18.032 -40.395 -33.897 1.00100.00 H new ATOM 0 HE1 TRP A 44 -18.550 -41.148 -31.487 1.00100.00 H new ATOM 0 HE3 TRP A 44 -23.120 -40.727 -34.238 1.00100.00 H new ATOM 0 HZ2 TRP A 44 -20.880 -41.800 -29.932 1.00100.00 H new ATOM 0 HZ3 TRP A 44 -24.462 -41.390 -32.273 1.00100.00 H new ATOM 0 HH2 TRP A 44 -23.359 -41.934 -30.121 1.00100.00 H new HETATM 682 N PTR A 45 -22.111 -41.138 -38.136 1.00100.00 N HETATM 683 CA PTR A 45 -22.940 -40.777 -39.264 1.00100.00 C HETATM 684 C PTR A 45 -22.296 -40.900 -40.640 1.00100.00 C HETATM 685 O PTR A 45 -22.251 -39.919 -41.391 1.00100.00 O HETATM 686 CB PTR A 45 -23.696 -39.428 -39.074 1.00100.00 C HETATM 687 CG PTR A 45 -24.561 -39.413 -37.834 1.00100.00 C HETATM 688 CD1 PTR A 45 -24.050 -38.920 -36.625 1.00100.00 C HETATM 689 CD2 PTR A 45 -25.871 -39.909 -37.893 1.00100.00 C HETATM 690 CE1 PTR A 45 -24.847 -38.919 -35.472 1.00100.00 C HETATM 691 CE2 PTR A 45 -26.676 -39.910 -36.746 1.00100.00 C HETATM 692 CZ PTR A 45 -26.166 -39.414 -35.529 1.00100.00 C HETATM 693 OH PTR A 45 -26.947 -39.412 -34.411 1.00100.00 O HETATM 694 P PTR A 45 -28.077 -40.542 -34.437 1.00100.00 P HETATM 695 O1P PTR A 45 -27.472 -41.808 -34.534 1.00 0.00 O HETATM 696 O2P PTR A 45 -28.836 -40.474 -33.255 1.00 0.00 O HETATM 697 O3P PTR A 45 -28.918 -40.338 -35.546 1.00 0.00 O HETATM 0 HE2 PTR A 45 -27.695 -40.294 -36.795 1.00100.00 H new HETATM 0 HE1 PTR A 45 -24.448 -38.536 -34.533 1.00100.00 H new HETATM 0 HD2 PTR A 45 -26.264 -40.295 -38.833 1.00100.00 H new HETATM 0 HD1 PTR A 45 -23.031 -38.537 -36.582 1.00100.00 H new HETATM 0 HB3 PTR A 45 -22.972 -38.615 -39.017 1.00100.00 H new HETATM 0 HB2 PTR A 45 -24.319 -39.239 -39.949 1.00100.00 H new HETATM 0 HA PTR A 45 -23.692 -41.566 -39.263 1.00100.00 H new ATOM 706 N PRO A 46 -21.742 -42.100 -41.010 1.00100.00 N ATOM 707 CA PRO A 46 -21.112 -42.318 -42.290 1.00100.00 C ATOM 708 C PRO A 46 -22.195 -42.518 -43.318 1.00100.00 C ATOM 709 O PRO A 46 -22.564 -43.659 -43.607 1.00100.00 O ATOM 710 CB PRO A 46 -20.194 -43.524 -42.072 1.00100.00 C ATOM 711 CG PRO A 46 -20.976 -44.343 -41.044 1.00100.00 C ATOM 712 CD PRO A 46 -21.609 -43.268 -40.162 1.00100.00 C ATOM 0 HA PRO A 46 -20.512 -41.488 -42.664 1.00100.00 H new ATOM 0 HB2 PRO A 46 -20.027 -44.081 -42.994 1.00100.00 H new ATOM 0 HB3 PRO A 46 -19.215 -43.228 -41.697 1.00100.00 H new ATOM 0 HG2 PRO A 46 -21.729 -44.972 -41.517 1.00100.00 H new ATOM 0 HG3 PRO A 46 -20.323 -45.002 -40.472 1.00100.00 H new ATOM 0 HD2 PRO A 46 -22.579 -43.591 -39.784 1.00100.00 H new ATOM 0 HD3 PRO A 46 -20.984 -43.054 -39.295 1.00100.00 H new ATOM 720 N GLU A 47 -22.710 -41.400 -43.878 1.00100.00 N ATOM 721 CA GLU A 47 -23.771 -41.411 -44.847 1.00100.00 C ATOM 722 C GLU A 47 -23.385 -42.157 -46.085 1.00100.00 C ATOM 723 O GLU A 47 -24.202 -42.912 -46.611 1.00100.00 O ATOM 724 CB GLU A 47 -24.262 -39.997 -45.195 1.00100.00 C ATOM 725 CG GLU A 47 -24.796 -39.307 -43.941 1.00100.00 C ATOM 726 CD GLU A 47 -25.326 -37.919 -44.271 1.00100.00 C ATOM 727 OE1 GLU A 47 -24.478 -37.030 -44.508 1.00100.00 O ATOM 728 OE2 GLU A 47 -26.567 -37.772 -44.281 1.00100.00 O ATOM 0 H GLU A 47 -22.379 -40.463 -43.650 1.00100.00 H new ATOM 0 HA GLU A 47 -24.603 -41.938 -44.380 1.00100.00 H new ATOM 0 HB2 GLU A 47 -23.446 -39.414 -45.621 1.00100.00 H new ATOM 0 HB3 GLU A 47 -25.044 -40.051 -45.952 1.00100.00 H new ATOM 0 HG2 GLU A 47 -25.590 -39.909 -43.500 1.00100.00 H new ATOM 0 HG3 GLU A 47 -24.003 -39.231 -43.197 1.00100.00 H new ATOM 735 N GLU A 48 -22.119 -41.988 -46.544 1.00100.00 N ATOM 736 CA GLU A 48 -21.614 -42.672 -47.709 1.00100.00 C ATOM 737 C GLU A 48 -21.633 -44.165 -47.511 1.00100.00 C ATOM 738 O GLU A 48 -22.048 -44.890 -48.416 1.00100.00 O ATOM 739 CB GLU A 48 -20.158 -42.319 -48.076 1.00100.00 C ATOM 740 CG GLU A 48 -19.996 -40.829 -48.367 1.00100.00 C ATOM 741 CD GLU A 48 -18.577 -40.515 -48.836 1.00100.00 C ATOM 742 OE1 GLU A 48 -17.636 -41.084 -48.239 1.00100.00 O ATOM 743 OE2 GLU A 48 -18.459 -39.711 -49.785 1.00100.00 O ATOM 0 H GLU A 48 -21.439 -41.370 -46.101 1.00100.00 H new ATOM 0 HA GLU A 48 -22.277 -42.343 -48.509 1.00100.00 H new ATOM 0 HB2 GLU A 48 -19.497 -42.604 -47.258 1.00100.00 H new ATOM 0 HB3 GLU A 48 -19.852 -42.896 -48.949 1.00100.00 H new ATOM 0 HG2 GLU A 48 -20.711 -40.524 -49.131 1.00100.00 H new ATOM 0 HG3 GLU A 48 -20.222 -40.253 -47.470 1.00100.00 H new ATOM 750 N LEU A 49 -21.200 -44.649 -46.316 1.00100.00 N ATOM 751 CA LEU A 49 -21.179 -46.058 -45.998 1.00100.00 C ATOM 752 C LEU A 49 -22.560 -46.646 -45.935 1.00100.00 C ATOM 753 O LEU A 49 -22.775 -47.759 -46.416 1.00100.00 O ATOM 754 CB LEU A 49 -20.403 -46.396 -44.711 1.00100.00 C ATOM 755 CG LEU A 49 -18.956 -45.893 -44.771 1.00100.00 C ATOM 756 CD1 LEU A 49 -18.237 -46.282 -43.479 1.00100.00 C ATOM 757 CD2 LEU A 49 -18.202 -46.500 -45.956 1.00100.00 C ATOM 0 H LEU A 49 -20.860 -44.053 -45.561 1.00100.00 H new ATOM 0 HA LEU A 49 -20.638 -46.517 -46.825 1.00100.00 H new ATOM 0 HB2 LEU A 49 -20.908 -45.950 -43.854 1.00100.00 H new ATOM 0 HB3 LEU A 49 -20.407 -47.475 -44.557 1.00100.00 H new ATOM 0 HG LEU A 49 -18.977 -44.810 -44.892 1.00100.00 H new ATOM 0 HD11 LEU A 49 -17.207 -45.927 -43.515 1.00100.00 H new ATOM 0 HD12 LEU A 49 -18.747 -45.830 -42.628 1.00100.00 H new ATOM 0 HD13 LEU A 49 -18.244 -47.367 -43.371 1.00100.00 H new ATOM 0 HD21 LEU A 49 -17.180 -46.122 -45.969 1.00100.00 H new ATOM 0 HD22 LEU A 49 -18.187 -47.586 -45.860 1.00100.00 H new ATOM 0 HD23 LEU A 49 -18.702 -46.225 -46.885 1.00100.00 H new ATOM 769 N LEU A 50 -23.524 -45.893 -45.350 1.00100.00 N ATOM 770 CA LEU A 50 -24.901 -46.311 -45.220 1.00100.00 C ATOM 771 C LEU A 50 -25.525 -46.510 -46.578 1.00100.00 C ATOM 772 O LEU A 50 -26.216 -47.504 -46.807 1.00100.00 O ATOM 773 CB LEU A 50 -25.764 -45.277 -44.461 1.00100.00 C ATOM 774 CG LEU A 50 -25.355 -45.190 -42.988 1.00100.00 C ATOM 775 CD1 LEU A 50 -26.018 -43.970 -42.349 1.00100.00 C ATOM 776 CD2 LEU A 50 -25.786 -46.447 -42.230 1.00100.00 C ATOM 0 H LEU A 50 -23.342 -44.969 -44.957 1.00100.00 H new ATOM 0 HA LEU A 50 -24.879 -47.243 -44.656 1.00100.00 H new ATOM 0 HB2 LEU A 50 -25.659 -44.298 -44.929 1.00100.00 H new ATOM 0 HB3 LEU A 50 -26.816 -45.554 -44.534 1.00100.00 H new ATOM 0 HG LEU A 50 -24.270 -45.101 -42.934 1.00100.00 H new ATOM 0 HD11 LEU A 50 -25.728 -43.906 -41.300 1.00100.00 H new ATOM 0 HD12 LEU A 50 -25.698 -43.067 -42.870 1.00100.00 H new ATOM 0 HD13 LEU A 50 -27.101 -44.065 -42.421 1.00100.00 H new ATOM 0 HD21 LEU A 50 -25.485 -46.363 -41.186 1.00100.00 H new ATOM 0 HD22 LEU A 50 -26.869 -46.553 -42.288 1.00100.00 H new ATOM 0 HD23 LEU A 50 -25.311 -47.321 -42.675 1.00100.00 H new HETATM 788 N TPO A 51 -25.257 -45.570 -47.514 1.00100.00 N HETATM 789 CA TPO A 51 -25.775 -45.595 -48.860 1.00100.00 C HETATM 790 CB TPO A 51 -25.626 -44.232 -49.518 1.00100.00 C HETATM 791 CG2 TPO A 51 -24.167 -43.935 -49.863 1.00100.00 C HETATM 792 OG1 TPO A 51 -26.385 -44.209 -50.707 1.00100.00 O HETATM 793 P TPO A 51 -27.913 -44.496 -50.338 1.00100.00 P HETATM 794 O1P TPO A 51 -28.376 -43.506 -49.453 1.00 0.00 O HETATM 795 O2P TPO A 51 -28.691 -44.479 -51.510 1.00 0.00 O HETATM 796 O3P TPO A 51 -28.018 -45.758 -49.725 1.00 0.00 O HETATM 797 C TPO A 51 -25.049 -46.661 -49.665 1.00100.00 C HETATM 798 O TPO A 51 -23.879 -46.964 -49.420 1.00100.00 O HETATM 0 HG23 TPO A 51 -23.568 -43.946 -48.952 1.00100.00 H new HETATM 0 HG22 TPO A 51 -23.794 -44.693 -50.551 1.00100.00 H new HETATM 0 HG21 TPO A 51 -24.096 -42.953 -50.332 1.00100.00 H new HETATM 0 HB TPO A 51 -25.978 -43.476 -48.816 1.00100.00 H new HETATM 0 HA TPO A 51 -26.837 -45.836 -48.827 1.00100.00 H new HETATM 0 H TPO A 51 -24.862 -44.709 -47.136 1.00100.00 H new ATOM 805 N ASP A 52 -25.774 -47.273 -50.635 1.00100.00 N ATOM 806 CA ASP A 52 -25.260 -48.291 -51.521 1.00100.00 C ATOM 807 C ASP A 52 -24.273 -47.637 -52.452 1.00100.00 C ATOM 808 O ASP A 52 -24.530 -46.558 -52.994 1.00100.00 O ATOM 809 CB ASP A 52 -26.366 -48.952 -52.388 1.00100.00 C ATOM 810 CG ASP A 52 -25.771 -49.998 -53.321 1.00100.00 C ATOM 811 OD1 ASP A 52 -25.581 -51.139 -52.845 1.00100.00 O ATOM 812 OD2 ASP A 52 -25.512 -49.637 -54.489 1.00100.00 O ATOM 0 H ASP A 52 -26.754 -47.051 -50.809 1.00100.00 H new ATOM 0 HA ASP A 52 -24.809 -49.070 -50.906 1.00100.00 H new ATOM 0 HB2 ASP A 52 -27.111 -49.416 -51.742 1.00100.00 H new ATOM 0 HB3 ASP A 52 -26.881 -48.189 -52.972 1.00100.00 H new ATOM 817 N GLY A 53 -23.123 -48.309 -52.649 1.00100.00 N ATOM 818 CA GLY A 53 -22.084 -47.810 -53.501 1.00100.00 C ATOM 819 C GLY A 53 -20.828 -48.595 -53.297 1.00100.00 C ATOM 820 O GLY A 53 -20.830 -49.698 -52.744 1.00100.00 O ATOM 0 H GLY A 53 -22.911 -49.207 -52.214 1.00100.00 H new ATOM 0 HA2 GLY A 53 -22.396 -47.874 -54.543 1.00100.00 H new ATOM 0 HA3 GLY A 53 -21.902 -46.757 -53.287 1.00100.00 H new ATOM 824 N GLU A 54 -19.717 -47.999 -53.775 1.00100.00 N ATOM 825 CA GLU A 54 -18.383 -48.540 -53.712 1.00100.00 C ATOM 826 C GLU A 54 -17.865 -48.563 -52.302 1.00100.00 C ATOM 827 O GLU A 54 -18.267 -47.762 -51.457 1.00100.00 O ATOM 828 CB GLU A 54 -17.390 -47.741 -54.570 1.00100.00 C ATOM 829 CG GLU A 54 -17.674 -47.890 -56.062 1.00100.00 C ATOM 830 CD GLU A 54 -17.472 -49.333 -56.505 1.00100.00 C ATOM 831 OE1 GLU A 54 -16.308 -49.785 -56.448 1.00100.00 O ATOM 832 OE2 GLU A 54 -18.486 -49.958 -56.885 1.00100.00 O ATOM 0 H GLU A 54 -19.748 -47.088 -54.232 1.00100.00 H new ATOM 0 HA GLU A 54 -18.458 -49.556 -54.100 1.00100.00 H new ATOM 0 HB2 GLU A 54 -17.439 -46.687 -54.295 1.00100.00 H new ATOM 0 HB3 GLU A 54 -16.375 -48.078 -54.359 1.00100.00 H new ATOM 0 HG2 GLU A 54 -18.696 -47.578 -56.276 1.00100.00 H new ATOM 0 HG3 GLU A 54 -17.015 -47.234 -56.630 1.00100.00 H new ATOM 839 N ASP A 55 -16.968 -49.534 -52.027 1.00100.00 N ATOM 840 CA ASP A 55 -16.371 -49.738 -50.732 1.00100.00 C ATOM 841 C ASP A 55 -15.530 -48.592 -50.254 1.00100.00 C ATOM 842 O ASP A 55 -15.654 -48.189 -49.095 1.00100.00 O ATOM 843 CB ASP A 55 -15.462 -50.986 -50.711 1.00100.00 C ATOM 844 CG ASP A 55 -16.243 -52.249 -51.060 1.00100.00 C ATOM 845 OD1 ASP A 55 -17.435 -52.305 -50.688 1.00100.00 O ATOM 846 OD2 ASP A 55 -15.631 -53.138 -51.690 1.00100.00 O ATOM 0 H ASP A 55 -16.646 -50.201 -52.728 1.00100.00 H new ATOM 0 HA ASP A 55 -17.230 -49.852 -50.070 1.00100.00 H new ATOM 0 HB2 ASP A 55 -14.644 -50.854 -51.420 1.00100.00 H new ATOM 0 HB3 ASP A 55 -15.014 -51.095 -49.724 1.00100.00 H new ATOM 851 N ASP A 56 -14.692 -48.025 -51.155 1.00100.00 N ATOM 852 CA ASP A 56 -13.799 -46.947 -50.804 1.00100.00 C ATOM 853 C ASP A 56 -14.073 -45.704 -51.587 1.00100.00 C ATOM 854 O ASP A 56 -14.680 -45.737 -52.657 1.00100.00 O ATOM 855 CB ASP A 56 -12.302 -47.261 -51.056 1.00100.00 C ATOM 856 CG ASP A 56 -11.845 -48.443 -50.212 1.00100.00 C ATOM 857 OD1 ASP A 56 -12.051 -48.374 -48.981 1.00100.00 O ATOM 858 OD2 ASP A 56 -11.296 -49.392 -50.812 1.00100.00 O ATOM 0 H ASP A 56 -14.632 -48.314 -52.131 1.00100.00 H new ATOM 0 HA ASP A 56 -13.986 -46.812 -49.739 1.00100.00 H new ATOM 0 HB2 ASP A 56 -12.145 -47.481 -52.112 1.00100.00 H new ATOM 0 HB3 ASP A 56 -11.698 -46.385 -50.820 1.00100.00 H new ATOM 863 N VAL A 57 -13.613 -44.560 -51.022 1.00100.00 N ATOM 864 CA VAL A 57 -13.732 -43.227 -51.572 1.00100.00 C ATOM 865 C VAL A 57 -12.991 -43.159 -52.888 1.00100.00 C ATOM 866 O VAL A 57 -13.499 -42.584 -53.853 1.00100.00 O ATOM 867 CB VAL A 57 -13.179 -42.181 -50.598 1.00100.00 C ATOM 868 CG1 VAL A 57 -13.235 -40.787 -51.223 1.00100.00 C ATOM 869 CG2 VAL A 57 -14.019 -42.181 -49.320 1.00100.00 C ATOM 0 H VAL A 57 -13.127 -44.565 -50.125 1.00100.00 H new ATOM 0 HA VAL A 57 -14.787 -43.008 -51.736 1.00100.00 H new ATOM 0 HB VAL A 57 -12.143 -42.432 -50.370 1.00100.00 H new ATOM 0 HG11 VAL A 57 -12.839 -40.056 -50.518 1.00100.00 H new ATOM 0 HG12 VAL A 57 -12.638 -40.773 -52.135 1.00100.00 H new ATOM 0 HG13 VAL A 57 -14.269 -40.537 -51.462 1.00100.00 H new ATOM 0 HG21 VAL A 57 -13.626 -41.437 -48.627 1.00100.00 H new ATOM 0 HG22 VAL A 57 -15.053 -41.939 -49.564 1.00100.00 H new ATOM 0 HG23 VAL A 57 -13.977 -43.167 -48.857 1.00100.00 H new ATOM 879 N PHE A 58 -11.783 -43.765 -52.952 1.00100.00 N ATOM 880 CA PHE A 58 -10.989 -43.750 -54.149 1.00100.00 C ATOM 881 C PHE A 58 -11.430 -44.722 -55.208 1.00100.00 C ATOM 882 O PHE A 58 -10.970 -44.600 -56.343 1.00100.00 O ATOM 883 CB PHE A 58 -9.456 -43.836 -53.896 1.00100.00 C ATOM 884 CG PHE A 58 -9.064 -45.056 -53.097 1.00100.00 C ATOM 885 CD1 PHE A 58 -8.915 -46.294 -53.734 1.00100.00 C ATOM 886 CD2 PHE A 58 -8.873 -44.952 -51.712 1.00100.00 C ATOM 887 CE1 PHE A 58 -8.574 -47.430 -52.987 1.00100.00 C ATOM 888 CE2 PHE A 58 -8.529 -46.087 -50.965 1.00100.00 C ATOM 889 CZ PHE A 58 -8.379 -47.325 -51.603 1.00100.00 C ATOM 0 H PHE A 58 -11.357 -44.266 -52.172 1.00100.00 H new ATOM 0 HA PHE A 58 -11.183 -42.757 -54.555 1.00100.00 H new ATOM 0 HB2 PHE A 58 -8.934 -43.851 -54.853 1.00100.00 H new ATOM 0 HB3 PHE A 58 -9.128 -42.940 -53.368 1.00100.00 H new ATOM 0 HD1 PHE A 58 -9.063 -46.374 -54.801 1.00100.00 H new ATOM 0 HD2 PHE A 58 -8.991 -43.997 -51.221 1.00100.00 H new ATOM 0 HE1 PHE A 58 -8.462 -48.386 -53.478 1.00100.00 H new ATOM 0 HE2 PHE A 58 -8.380 -46.007 -49.898 1.00100.00 H new ATOM 0 HZ PHE A 58 -8.113 -48.200 -51.028 1.00100.00 H new ATOM 899 N ASP A 59 -12.337 -45.682 -54.879 1.00100.00 N ATOM 900 CA ASP A 59 -12.813 -46.658 -55.832 1.00100.00 C ATOM 901 C ASP A 59 -13.532 -46.077 -57.034 1.00100.00 C ATOM 902 O ASP A 59 -13.202 -46.525 -58.135 1.00100.00 O ATOM 903 CB ASP A 59 -13.736 -47.756 -55.242 1.00100.00 C ATOM 904 CG ASP A 59 -13.002 -48.724 -54.325 1.00100.00 C ATOM 905 OD1 ASP A 59 -11.754 -48.751 -54.387 1.00100.00 O ATOM 906 OD2 ASP A 59 -13.715 -49.434 -53.583 1.00100.00 O ATOM 0 H ASP A 59 -12.741 -45.780 -53.947 1.00100.00 H new ATOM 0 HA ASP A 59 -11.870 -47.105 -56.147 1.00100.00 H new ATOM 0 HB2 ASP A 59 -14.545 -47.282 -54.687 1.00100.00 H new ATOM 0 HB3 ASP A 59 -14.194 -48.315 -56.058 1.00100.00 H new ATOM 911 N PRO A 60 -14.488 -45.084 -56.924 1.00100.00 N ATOM 912 CA PRO A 60 -15.161 -44.543 -58.089 1.00100.00 C ATOM 913 C PRO A 60 -14.188 -43.824 -58.981 1.00100.00 C ATOM 914 O PRO A 60 -13.376 -43.051 -58.465 1.00100.00 O ATOM 915 CB PRO A 60 -16.238 -43.595 -57.560 1.00100.00 C ATOM 916 CG PRO A 60 -16.493 -44.121 -56.148 1.00100.00 C ATOM 917 CD PRO A 60 -15.118 -44.623 -55.710 1.00100.00 C ATOM 0 HA PRO A 60 -15.605 -45.333 -58.695 1.00100.00 H new ATOM 0 HB2 PRO A 60 -15.896 -42.560 -57.550 1.00100.00 H new ATOM 0 HB3 PRO A 60 -17.140 -43.626 -58.172 1.00100.00 H new ATOM 0 HG2 PRO A 60 -16.865 -43.338 -55.487 1.00100.00 H new ATOM 0 HG3 PRO A 60 -17.234 -44.920 -56.144 1.00100.00 H new ATOM 0 HD2 PRO A 60 -14.538 -43.828 -55.241 1.00100.00 H new ATOM 0 HD3 PRO A 60 -15.205 -45.428 -54.980 1.00100.00 H new ATOM 925 N ASP A 61 -14.279 -44.084 -60.309 1.00100.00 N ATOM 926 CA ASP A 61 -13.469 -43.516 -61.364 1.00100.00 C ATOM 927 C ASP A 61 -11.990 -43.614 -61.080 1.00100.00 C ATOM 928 O ASP A 61 -11.230 -42.659 -61.265 1.00100.00 O ATOM 929 CB ASP A 61 -13.897 -42.078 -61.779 1.00100.00 C ATOM 930 CG ASP A 61 -15.369 -42.035 -62.166 1.00100.00 C ATOM 931 OD1 ASP A 61 -15.755 -42.853 -63.029 1.00100.00 O ATOM 932 OD2 ASP A 61 -16.083 -41.184 -61.591 1.00100.00 O ATOM 0 H ASP A 61 -14.970 -44.740 -60.672 1.00100.00 H new ATOM 0 HA ASP A 61 -13.663 -44.140 -62.236 1.00100.00 H new ATOM 0 HB2 ASP A 61 -13.714 -41.389 -60.955 1.00100.00 H new ATOM 0 HB3 ASP A 61 -13.287 -41.741 -62.617 1.00100.00 H new ATOM 937 N LEU A 62 -11.555 -44.807 -60.621 1.00100.00 N ATOM 938 CA LEU A 62 -10.181 -45.037 -60.283 1.00100.00 C ATOM 939 C LEU A 62 -9.456 -45.532 -61.498 1.00100.00 C ATOM 940 O LEU A 62 -9.840 -46.534 -62.108 1.00100.00 O ATOM 941 CB LEU A 62 -10.060 -46.065 -59.135 1.00100.00 C ATOM 942 CG LEU A 62 -8.610 -46.287 -58.701 1.00100.00 C ATOM 943 CD1 LEU A 62 -8.013 -45.018 -58.091 1.00100.00 C ATOM 944 CD2 LEU A 62 -8.583 -47.407 -57.662 1.00100.00 C ATOM 0 H LEU A 62 -12.161 -45.616 -60.484 1.00100.00 H new ATOM 0 HA LEU A 62 -9.737 -44.102 -59.943 1.00100.00 H new ATOM 0 HB2 LEU A 62 -10.644 -45.722 -58.281 1.00100.00 H new ATOM 0 HB3 LEU A 62 -10.490 -47.014 -59.454 1.00100.00 H new ATOM 0 HG LEU A 62 -8.016 -46.553 -59.576 1.00100.00 H new ATOM 0 HD11 LEU A 62 -6.982 -45.208 -57.793 1.00100.00 H new ATOM 0 HD12 LEU A 62 -8.035 -44.215 -58.828 1.00100.00 H new ATOM 0 HD13 LEU A 62 -8.596 -44.725 -57.217 1.00100.00 H new ATOM 0 HD21 LEU A 62 -7.556 -47.580 -57.340 1.00100.00 H new ATOM 0 HD22 LEU A 62 -9.189 -47.121 -56.803 1.00100.00 H new ATOM 0 HD23 LEU A 62 -8.984 -48.320 -58.101 1.00100.00 H new ATOM 956 N ASP A 63 -8.389 -44.794 -61.884 1.00100.00 N ATOM 957 CA ASP A 63 -7.587 -45.155 -63.016 1.00100.00 C ATOM 958 C ASP A 63 -6.297 -45.616 -62.415 1.00100.00 C ATOM 959 O ASP A 63 -5.604 -44.860 -61.729 1.00100.00 O ATOM 960 CB ASP A 63 -7.282 -43.981 -63.977 1.00100.00 C ATOM 961 CG ASP A 63 -8.571 -43.410 -64.552 1.00100.00 C ATOM 962 OD1 ASP A 63 -9.307 -44.197 -65.185 1.00100.00 O ATOM 963 OD2 ASP A 63 -8.799 -42.199 -64.344 1.00100.00 O ATOM 0 H ASP A 63 -8.084 -43.945 -61.408 1.00100.00 H new ATOM 0 HA ASP A 63 -8.114 -45.896 -63.617 1.00100.00 H new ATOM 0 HB2 ASP A 63 -6.738 -43.201 -63.445 1.00100.00 H new ATOM 0 HB3 ASP A 63 -6.637 -44.324 -64.786 1.00100.00 H new ATOM 968 N MET A 64 -5.972 -46.901 -62.659 1.00100.00 N ATOM 969 CA MET A 64 -4.780 -47.517 -62.155 1.00100.00 C ATOM 970 C MET A 64 -3.930 -47.831 -63.339 1.00100.00 C ATOM 971 O MET A 64 -4.429 -48.326 -64.356 1.00100.00 O ATOM 972 CB MET A 64 -5.038 -48.865 -61.445 1.00100.00 C ATOM 973 CG MET A 64 -5.899 -48.653 -60.201 1.00100.00 C ATOM 974 SD MET A 64 -5.223 -47.470 -59.006 1.00100.00 S ATOM 975 CE MET A 64 -3.628 -48.255 -58.671 1.00100.00 C ATOM 0 H MET A 64 -6.551 -47.526 -63.219 1.00100.00 H new ATOM 0 HA MET A 64 -4.331 -46.832 -61.436 1.00100.00 H new ATOM 0 HB2 MET A 64 -5.536 -49.554 -62.127 1.00100.00 H new ATOM 0 HB3 MET A 64 -4.090 -49.324 -61.165 1.00100.00 H new ATOM 0 HG2 MET A 64 -6.886 -48.310 -60.513 1.00100.00 H new ATOM 0 HG3 MET A 64 -6.037 -49.613 -59.703 1.00100.00 H new ATOM 0 HE1 MET A 64 -3.182 -47.808 -57.782 1.00100.00 H new ATOM 0 HE2 MET A 64 -3.775 -49.322 -58.506 1.00100.00 H new ATOM 0 HE3 MET A 64 -2.964 -48.108 -59.523 1.00100.00 H new ATOM 985 N GLU A 65 -2.678 -47.331 -63.305 1.00100.00 N ATOM 986 CA GLU A 65 -1.751 -47.582 -64.371 1.00100.00 C ATOM 987 C GLU A 65 -0.702 -48.468 -63.775 1.00100.00 C ATOM 988 O GLU A 65 -0.014 -48.095 -62.821 1.00100.00 O ATOM 989 CB GLU A 65 -1.123 -46.300 -64.959 1.00100.00 C ATOM 990 CG GLU A 65 -2.213 -45.434 -65.591 1.00100.00 C ATOM 991 CD GLU A 65 -1.643 -44.136 -66.154 1.00100.00 C ATOM 992 OE1 GLU A 65 -0.471 -44.164 -66.590 1.00100.00 O ATOM 993 OE2 GLU A 65 -2.396 -43.138 -66.142 1.00100.00 O ATOM 0 H GLU A 65 -2.309 -46.758 -62.546 1.00100.00 H new ATOM 0 HA GLU A 65 -2.264 -48.041 -65.216 1.00100.00 H new ATOM 0 HB2 GLU A 65 -0.611 -45.742 -64.175 1.00100.00 H new ATOM 0 HB3 GLU A 65 -0.373 -46.561 -65.706 1.00100.00 H new ATOM 0 HG2 GLU A 65 -2.705 -45.992 -66.388 1.00100.00 H new ATOM 0 HG3 GLU A 65 -2.974 -45.205 -64.845 1.00100.00 H new ATOM 1000 N VAL A 66 -0.585 -49.691 -64.338 1.00100.00 N ATOM 1001 CA VAL A 66 0.367 -50.654 -63.857 1.00100.00 C ATOM 1002 C VAL A 66 1.376 -50.831 -64.956 1.00100.00 C ATOM 1003 O VAL A 66 1.035 -51.082 -66.114 1.00100.00 O ATOM 1004 CB VAL A 66 -0.252 -52.003 -63.481 1.00100.00 C ATOM 1005 CG1 VAL A 66 0.829 -52.980 -63.022 1.00100.00 C ATOM 1006 CG2 VAL A 66 -1.264 -51.799 -62.353 1.00100.00 C ATOM 0 H VAL A 66 -1.149 -50.012 -65.125 1.00100.00 H new ATOM 0 HA VAL A 66 0.812 -50.284 -62.933 1.00100.00 H new ATOM 0 HB VAL A 66 -0.750 -52.418 -64.358 1.00100.00 H new ATOM 0 HG11 VAL A 66 0.370 -53.933 -62.759 1.00100.00 H new ATOM 0 HG12 VAL A 66 1.547 -53.133 -63.828 1.00100.00 H new ATOM 0 HG13 VAL A 66 1.342 -52.572 -62.151 1.00100.00 H new ATOM 0 HG21 VAL A 66 -1.706 -52.758 -62.083 1.00100.00 H new ATOM 0 HG22 VAL A 66 -0.760 -51.375 -61.485 1.00100.00 H new ATOM 0 HG23 VAL A 66 -2.048 -51.119 -62.686 1.00100.00 H new ATOM 1016 N VAL A 67 2.656 -50.655 -64.575 1.00100.00 N ATOM 1017 CA VAL A 67 3.822 -50.778 -65.413 1.00100.00 C ATOM 1018 C VAL A 67 4.079 -52.177 -65.925 1.00100.00 C ATOM 1019 O VAL A 67 4.555 -52.328 -67.051 1.00100.00 O ATOM 1020 CB VAL A 67 5.096 -50.196 -64.815 1.00100.00 C ATOM 1021 CG1 VAL A 67 4.908 -48.700 -64.561 1.00100.00 C ATOM 1022 CG2 VAL A 67 5.448 -50.891 -63.501 1.00100.00 C ATOM 0 H VAL A 67 2.897 -50.409 -63.615 1.00100.00 H new ATOM 0 HA VAL A 67 3.556 -50.160 -66.270 1.00100.00 H new ATOM 0 HB VAL A 67 5.910 -50.354 -65.523 1.00100.00 H new ATOM 0 HG11 VAL A 67 5.821 -48.286 -64.133 1.00100.00 H new ATOM 0 HG12 VAL A 67 4.687 -48.196 -65.502 1.00100.00 H new ATOM 0 HG13 VAL A 67 4.081 -48.550 -63.867 1.00100.00 H new ATOM 0 HG21 VAL A 67 6.361 -50.458 -63.094 1.00100.00 H new ATOM 0 HG22 VAL A 67 4.634 -50.757 -62.789 1.00100.00 H new ATOM 0 HG23 VAL A 67 5.600 -51.955 -63.682 1.00100.00 H new ATOM 1032 N PHE A 68 3.767 -53.220 -65.102 1.00100.00 N ATOM 1033 CA PHE A 68 3.997 -54.627 -65.387 1.00100.00 C ATOM 1034 C PHE A 68 5.471 -54.900 -65.588 1.00100.00 C ATOM 1035 O PHE A 68 5.876 -55.736 -66.400 1.00100.00 O ATOM 1036 CB PHE A 68 3.193 -55.222 -66.586 1.00100.00 C ATOM 1037 CG PHE A 68 1.697 -55.077 -66.437 1.00100.00 C ATOM 1038 CD1 PHE A 68 0.987 -55.963 -65.616 1.00100.00 C ATOM 1039 CD2 PHE A 68 1.019 -54.055 -67.116 1.00100.00 C ATOM 1040 CE1 PHE A 68 -0.401 -55.830 -65.476 1.00100.00 C ATOM 1041 CE2 PHE A 68 -0.368 -53.922 -66.977 1.00100.00 C ATOM 1042 CZ PHE A 68 -1.079 -54.809 -66.157 1.00100.00 C ATOM 0 H PHE A 68 3.332 -53.074 -64.191 1.00100.00 H new ATOM 0 HA PHE A 68 3.618 -55.137 -64.501 1.00100.00 H new ATOM 0 HB2 PHE A 68 3.508 -54.729 -67.506 1.00100.00 H new ATOM 0 HB3 PHE A 68 3.439 -56.279 -66.690 1.00100.00 H new ATOM 0 HD1 PHE A 68 1.510 -56.749 -65.091 1.00100.00 H new ATOM 0 HD2 PHE A 68 1.567 -53.370 -67.746 1.00100.00 H new ATOM 0 HE1 PHE A 68 -0.948 -56.514 -64.844 1.00100.00 H new ATOM 0 HE2 PHE A 68 -0.890 -53.136 -67.502 1.00100.00 H new ATOM 0 HZ PHE A 68 -2.149 -54.706 -66.050 1.00100.00 H new ATOM 1052 N GLU A 69 6.304 -54.175 -64.794 1.00100.00 N ATOM 1053 CA GLU A 69 7.746 -54.227 -64.757 1.00100.00 C ATOM 1054 C GLU A 69 8.377 -53.998 -66.109 1.00100.00 C ATOM 1055 O GLU A 69 9.385 -54.614 -66.463 1.00100.00 O ATOM 1056 CB GLU A 69 8.269 -55.522 -64.084 1.00100.00 C ATOM 1057 CG GLU A 69 7.710 -55.651 -62.669 1.00100.00 C ATOM 1058 CD GLU A 69 8.243 -56.905 -61.990 1.00100.00 C ATOM 1059 OE1 GLU A 69 7.808 -58.002 -62.404 1.00100.00 O ATOM 1060 OE2 GLU A 69 9.077 -56.745 -61.073 1.00100.00 O ATOM 0 H GLU A 69 5.935 -53.499 -64.125 1.00100.00 H new ATOM 0 HA GLU A 69 8.060 -53.393 -64.129 1.00100.00 H new ATOM 0 HB2 GLU A 69 7.979 -56.390 -64.677 1.00100.00 H new ATOM 0 HB3 GLU A 69 9.358 -55.508 -64.051 1.00100.00 H new ATOM 0 HG2 GLU A 69 7.981 -54.772 -62.084 1.00100.00 H new ATOM 0 HG3 GLU A 69 6.621 -55.686 -62.705 1.00100.00 H new ATOM 1067 N THR A 70 7.783 -53.067 -66.889 1.00100.00 N ATOM 1068 CA THR A 70 8.271 -52.730 -68.195 1.00100.00 C ATOM 1069 C THR A 70 8.484 -51.244 -68.185 1.00100.00 C ATOM 1070 O THR A 70 7.634 -50.485 -67.711 1.00100.00 O ATOM 1071 CB THR A 70 7.305 -53.127 -69.296 1.00100.00 C ATOM 1072 OG1 THR A 70 7.074 -54.517 -69.230 1.00100.00 O ATOM 1073 CG2 THR A 70 7.885 -52.773 -70.665 1.00100.00 C ATOM 0 H THR A 70 6.954 -52.543 -66.608 1.00100.00 H new ATOM 0 HA THR A 70 9.192 -53.274 -68.406 1.00100.00 H new ATOM 0 HB THR A 70 6.368 -52.586 -69.160 1.00100.00 H new ATOM 0 HG1 THR A 70 6.449 -54.779 -69.938 1.00100.00 H new ATOM 0 HG21 THR A 70 7.181 -53.064 -71.445 1.00100.00 H new ATOM 0 HG22 THR A 70 8.062 -51.699 -70.718 1.00100.00 H new ATOM 0 HG23 THR A 70 8.826 -53.304 -70.810 1.00100.00 H new ATOM 1081 N GLN A 71 9.663 -50.813 -68.687 1.00100.00 N ATOM 1082 CA GLN A 71 10.001 -49.416 -68.757 1.00100.00 C ATOM 1083 C GLN A 71 9.633 -48.923 -70.162 1.00100.00 C ATOM 1084 O GLN A 71 8.989 -47.845 -70.242 1.00100.00 O ATOM 1085 CB GLN A 71 11.492 -49.097 -68.483 1.00100.00 C ATOM 1086 CG GLN A 71 12.402 -49.911 -69.403 1.00100.00 C ATOM 1087 CD GLN A 71 13.837 -49.868 -68.908 1.00100.00 C ATOM 1088 OE1 GLN A 71 14.261 -50.757 -68.173 1.00100.00 O ATOM 1089 NE2 GLN A 71 14.580 -48.832 -69.302 1.00100.00 N ATOM 1090 OXT GLN A 71 10.002 -49.629 -71.126 1.00100.00 O ATOM 0 H GLN A 71 10.386 -51.436 -69.046 1.00100.00 H new ATOM 0 HA GLN A 71 9.444 -48.910 -67.969 1.00100.00 H new ATOM 0 HB2 GLN A 71 11.674 -48.033 -68.634 1.00100.00 H new ATOM 0 HB3 GLN A 71 11.730 -49.317 -67.442 1.00100.00 H new ATOM 0 HG2 GLN A 71 12.056 -50.944 -69.444 1.00100.00 H new ATOM 0 HG3 GLN A 71 12.349 -49.516 -70.418 1.00100.00 H new ATOM 0 HE21 GLN A 71 14.180 -48.120 -69.913 1.00100.00 H new ATOM 0 HE22 GLN A 71 15.548 -48.752 -68.992 1.00100.00 H new TER 1099 GLN A 71 HETATM 1100 ZN ZN A 101 -11.214 -42.726 -14.472 1.00 73.25 ZN