USER MOD reduce.3.24.130724 H: found=0, std=0, add=763, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 760 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 75 ASN :FLIP amide:sc= -0.0657 X(o=-0.4,f=-0.066) USER MOD Set 1.2: A 76 HIS : no HD1:sc= 0 X(o=-0.066,f=-0.066) USER MOD Set 2.1: A 70 GLN : amide:sc= -2.05 K(o=-2.1,f=-2.6!) USER MOD Set 2.2: A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -148:sc= 0.00329 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl -125:sc= -0.0672 (180deg=-0.522) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot -17:sc= -1.26! USER MOD Single : A 16 THR OG1 : rot 160:sc= -0.388 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot -150:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -0.0406 X(o=-0.041,f=-0.44) USER MOD Single : A 28 GLN : amide:sc= -6.51! C(o=-6.5!,f=-22!) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot -45:sc= -0.243 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 TYR OH : rot 180:sc= -0.528 USER MOD Single : A 43 GLN : amide:sc=-0.00488 X(o=-0.0049,f=0) USER MOD Single : A 48 SER OG : rot -140:sc= -0.456 USER MOD Single : A 49 GLN : amide:sc= -1.25 K(o=-1.2,f=-3!) USER MOD Single : A 51 ASN : amide:sc= -0.0315 K(o=-0.031,f=-0.78) USER MOD Single : A 57 MET CE :methyl -157:sc= -0.606 (180deg=-1.57!) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -0.555 K(o=-0.55,f=-1.8) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= -2.03 X(o=-2,f=-1.5) USER MOD Single : A 78 CYS SG : rot 90:sc= -2.54! USER MOD Single : A 81 TYR OH : rot -139:sc= 0.129 USER MOD Single : A 90 GLN : amide:sc= -0.214 K(o=-0.21,f=-0.75) USER MOD Single : A 92 THR OG1 : rot 180:sc= -0.038 USER MOD Single : A 94 GLN : amide:sc= -0.395 K(o=-0.39,f=-3!) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 32.644 -6.721 -13.571 1.00 0.00 N ATOM 2 CA GLY A 1 32.350 -5.321 -13.314 1.00 0.00 C ATOM 3 C GLY A 1 30.975 -5.161 -12.663 1.00 0.00 C ATOM 4 O GLY A 1 30.637 -5.887 -11.730 1.00 0.00 O ATOM 0 H1 GLY A 1 33.668 -6.882 -13.485 1.00 0.00 H new ATOM 0 H2 GLY A 1 32.141 -7.314 -12.880 1.00 0.00 H new ATOM 0 H3 GLY A 1 32.334 -6.970 -14.532 1.00 0.00 H new ATOM 0 HA2 GLY A 1 33.116 -4.898 -12.664 1.00 0.00 H new ATOM 0 HA3 GLY A 1 32.381 -4.761 -14.249 1.00 0.00 H new ATOM 8 N SER A 2 30.218 -4.205 -13.182 1.00 0.00 N ATOM 9 CA SER A 2 28.887 -3.939 -12.664 1.00 0.00 C ATOM 10 C SER A 2 28.978 -3.430 -11.224 1.00 0.00 C ATOM 11 O SER A 2 29.938 -3.729 -10.515 1.00 0.00 O ATOM 12 CB SER A 2 28.011 -5.192 -12.729 1.00 0.00 C ATOM 13 OG SER A 2 27.256 -5.253 -13.936 1.00 0.00 O ATOM 0 H SER A 2 30.502 -3.605 -13.956 1.00 0.00 H new ATOM 0 HA SER A 2 28.425 -3.172 -13.285 1.00 0.00 H new ATOM 0 HB2 SER A 2 28.640 -6.079 -12.650 1.00 0.00 H new ATOM 0 HB3 SER A 2 27.333 -5.205 -11.876 1.00 0.00 H new ATOM 0 HG SER A 2 26.711 -6.068 -13.940 1.00 0.00 H new ATOM 19 N GLU A 3 27.966 -2.668 -10.835 1.00 0.00 N ATOM 20 CA GLU A 3 27.920 -2.114 -9.492 1.00 0.00 C ATOM 21 C GLU A 3 26.470 -1.899 -9.056 1.00 0.00 C ATOM 22 O GLU A 3 25.880 -0.857 -9.339 1.00 0.00 O ATOM 23 CB GLU A 3 28.716 -0.810 -9.410 1.00 0.00 C ATOM 24 CG GLU A 3 30.163 -1.076 -8.989 1.00 0.00 C ATOM 25 CD GLU A 3 31.145 -0.368 -9.924 1.00 0.00 C ATOM 26 OE1 GLU A 3 30.953 -0.498 -11.153 1.00 0.00 O ATOM 27 OE2 GLU A 3 32.067 0.286 -9.390 1.00 0.00 O ATOM 0 H GLU A 3 27.172 -2.421 -11.426 1.00 0.00 H new ATOM 0 HA GLU A 3 28.382 -2.827 -8.810 1.00 0.00 H new ATOM 0 HB2 GLU A 3 28.701 -0.309 -10.378 1.00 0.00 H new ATOM 0 HB3 GLU A 3 28.244 -0.136 -8.695 1.00 0.00 H new ATOM 0 HG2 GLU A 3 30.317 -0.732 -7.966 1.00 0.00 H new ATOM 0 HG3 GLU A 3 30.357 -2.149 -8.997 1.00 0.00 H new ATOM 34 N GLY A 4 25.936 -2.902 -8.374 1.00 0.00 N ATOM 35 CA GLY A 4 24.565 -2.836 -7.897 1.00 0.00 C ATOM 36 C GLY A 4 23.598 -3.436 -8.920 1.00 0.00 C ATOM 37 O GLY A 4 23.669 -3.119 -10.106 1.00 0.00 O ATOM 0 H GLY A 4 26.428 -3.764 -8.141 1.00 0.00 H new ATOM 0 HA2 GLY A 4 24.479 -3.372 -6.952 1.00 0.00 H new ATOM 0 HA3 GLY A 4 24.294 -1.799 -7.700 1.00 0.00 H new ATOM 41 N ALA A 5 22.717 -4.291 -8.423 1.00 0.00 N ATOM 42 CA ALA A 5 21.737 -4.938 -9.279 1.00 0.00 C ATOM 43 C ALA A 5 20.662 -5.594 -8.411 1.00 0.00 C ATOM 44 O ALA A 5 20.908 -5.916 -7.249 1.00 0.00 O ATOM 45 CB ALA A 5 22.441 -5.942 -10.194 1.00 0.00 C ATOM 0 H ALA A 5 22.661 -4.551 -7.438 1.00 0.00 H new ATOM 0 HA ALA A 5 21.243 -4.206 -9.918 1.00 0.00 H new ATOM 0 HB1 ALA A 5 21.706 -6.427 -10.836 1.00 0.00 H new ATOM 0 HB2 ALA A 5 23.173 -5.421 -10.811 1.00 0.00 H new ATOM 0 HB3 ALA A 5 22.946 -6.694 -9.588 1.00 0.00 H new ATOM 51 N ALA A 6 19.493 -5.774 -9.007 1.00 0.00 N ATOM 52 CA ALA A 6 18.380 -6.387 -8.303 1.00 0.00 C ATOM 53 C ALA A 6 17.940 -7.648 -9.050 1.00 0.00 C ATOM 54 O ALA A 6 18.276 -7.829 -10.220 1.00 0.00 O ATOM 55 CB ALA A 6 17.245 -5.370 -8.158 1.00 0.00 C ATOM 0 H ALA A 6 19.292 -5.506 -9.970 1.00 0.00 H new ATOM 0 HA ALA A 6 18.680 -6.687 -7.299 1.00 0.00 H new ATOM 0 HB1 ALA A 6 16.410 -5.830 -7.630 1.00 0.00 H new ATOM 0 HB2 ALA A 6 17.600 -4.507 -7.595 1.00 0.00 H new ATOM 0 HB3 ALA A 6 16.916 -5.048 -9.146 1.00 0.00 H new ATOM 61 N THR A 7 17.196 -8.487 -8.345 1.00 0.00 N ATOM 62 CA THR A 7 16.708 -9.725 -8.927 1.00 0.00 C ATOM 63 C THR A 7 15.210 -9.887 -8.657 1.00 0.00 C ATOM 64 O THR A 7 14.412 -9.961 -9.589 1.00 0.00 O ATOM 65 CB THR A 7 17.553 -10.874 -8.373 1.00 0.00 C ATOM 66 OG1 THR A 7 18.853 -10.636 -8.905 1.00 0.00 O ATOM 67 CG2 THR A 7 17.153 -12.230 -8.958 1.00 0.00 C ATOM 0 H THR A 7 16.919 -8.334 -7.375 1.00 0.00 H new ATOM 0 HA THR A 7 16.812 -9.720 -10.012 1.00 0.00 H new ATOM 0 HB THR A 7 17.457 -10.905 -7.288 1.00 0.00 H new ATOM 0 HG1 THR A 7 19.466 -11.334 -8.594 1.00 0.00 H new ATOM 0 HG21 THR A 7 17.783 -13.010 -8.532 1.00 0.00 H new ATOM 0 HG22 THR A 7 16.110 -12.436 -8.719 1.00 0.00 H new ATOM 0 HG23 THR A 7 17.281 -12.211 -10.040 1.00 0.00 H new ATOM 75 N MET A 8 14.875 -9.937 -7.376 1.00 0.00 N ATOM 76 CA MET A 8 13.488 -10.089 -6.971 1.00 0.00 C ATOM 77 C MET A 8 12.929 -8.774 -6.423 1.00 0.00 C ATOM 78 O MET A 8 13.660 -7.987 -5.824 1.00 0.00 O ATOM 79 CB MET A 8 13.385 -11.174 -5.897 1.00 0.00 C ATOM 80 CG MET A 8 13.459 -12.570 -6.520 1.00 0.00 C ATOM 81 SD MET A 8 12.829 -13.784 -5.373 1.00 0.00 S ATOM 82 CE MET A 8 11.078 -13.469 -5.519 1.00 0.00 C ATOM 0 H MET A 8 15.540 -9.875 -6.605 1.00 0.00 H new ATOM 0 HA MET A 8 12.903 -10.374 -7.846 1.00 0.00 H new ATOM 0 HB2 MET A 8 14.190 -11.052 -5.173 1.00 0.00 H new ATOM 0 HB3 MET A 8 12.447 -11.064 -5.352 1.00 0.00 H new ATOM 0 HG2 MET A 8 12.881 -12.596 -7.444 1.00 0.00 H new ATOM 0 HG3 MET A 8 14.490 -12.806 -6.782 1.00 0.00 H new ATOM 0 HE1 MET A 8 10.661 -13.267 -4.532 1.00 0.00 H new ATOM 0 HE2 MET A 8 10.916 -12.606 -6.165 1.00 0.00 H new ATOM 0 HE3 MET A 8 10.586 -14.342 -5.949 1.00 0.00 H new ATOM 92 N SER A 9 11.639 -8.577 -6.649 1.00 0.00 N ATOM 93 CA SER A 9 10.974 -7.371 -6.186 1.00 0.00 C ATOM 94 C SER A 9 9.804 -7.737 -5.270 1.00 0.00 C ATOM 95 O SER A 9 8.755 -8.174 -5.741 1.00 0.00 O ATOM 96 CB SER A 9 10.482 -6.526 -7.363 1.00 0.00 C ATOM 97 OG SER A 9 11.554 -6.104 -8.201 1.00 0.00 O ATOM 0 H SER A 9 11.036 -9.232 -7.147 1.00 0.00 H new ATOM 0 HA SER A 9 11.695 -6.778 -5.624 1.00 0.00 H new ATOM 0 HB2 SER A 9 9.768 -7.103 -7.950 1.00 0.00 H new ATOM 0 HB3 SER A 9 9.951 -5.652 -6.985 1.00 0.00 H new ATOM 0 HG SER A 9 11.199 -5.569 -8.941 1.00 0.00 H new ATOM 103 N GLY A 10 10.023 -7.546 -3.977 1.00 0.00 N ATOM 104 CA GLY A 10 9.001 -7.850 -2.991 1.00 0.00 C ATOM 105 C GLY A 10 8.254 -6.584 -2.567 1.00 0.00 C ATOM 106 O GLY A 10 8.588 -5.973 -1.553 1.00 0.00 O ATOM 0 H GLY A 10 10.894 -7.184 -3.590 1.00 0.00 H new ATOM 0 HA2 GLY A 10 8.296 -8.572 -3.404 1.00 0.00 H new ATOM 0 HA3 GLY A 10 9.459 -8.315 -2.118 1.00 0.00 H new ATOM 110 N LEU A 11 7.257 -6.228 -3.364 1.00 0.00 N ATOM 111 CA LEU A 11 6.461 -5.046 -3.083 1.00 0.00 C ATOM 112 C LEU A 11 5.524 -5.334 -1.909 1.00 0.00 C ATOM 113 O LEU A 11 4.981 -6.433 -1.799 1.00 0.00 O ATOM 114 CB LEU A 11 5.736 -4.575 -4.346 1.00 0.00 C ATOM 115 CG LEU A 11 5.915 -3.100 -4.712 1.00 0.00 C ATOM 116 CD1 LEU A 11 5.203 -2.196 -3.704 1.00 0.00 C ATOM 117 CD2 LEU A 11 7.396 -2.746 -4.854 1.00 0.00 C ATOM 0 H LEU A 11 6.983 -6.737 -4.204 1.00 0.00 H new ATOM 0 HA LEU A 11 7.103 -4.218 -2.784 1.00 0.00 H new ATOM 0 HB2 LEU A 11 6.078 -5.181 -5.185 1.00 0.00 H new ATOM 0 HB3 LEU A 11 4.671 -4.772 -4.224 1.00 0.00 H new ATOM 0 HG LEU A 11 5.450 -2.929 -5.683 1.00 0.00 H new ATOM 0 HD11 LEU A 11 5.345 -1.153 -3.987 1.00 0.00 H new ATOM 0 HD12 LEU A 11 4.138 -2.428 -3.696 1.00 0.00 H new ATOM 0 HD13 LEU A 11 5.618 -2.362 -2.710 1.00 0.00 H new ATOM 0 HD21 LEU A 11 7.495 -1.692 -5.114 1.00 0.00 H new ATOM 0 HD22 LEU A 11 7.908 -2.936 -3.911 1.00 0.00 H new ATOM 0 HD23 LEU A 11 7.843 -3.357 -5.638 1.00 0.00 H new ATOM 129 N ARG A 12 5.363 -4.329 -1.060 1.00 0.00 N ATOM 130 CA ARG A 12 4.501 -4.461 0.102 1.00 0.00 C ATOM 131 C ARG A 12 3.634 -3.212 0.264 1.00 0.00 C ATOM 132 O ARG A 12 4.121 -2.091 0.122 1.00 0.00 O ATOM 133 CB ARG A 12 5.322 -4.673 1.375 1.00 0.00 C ATOM 134 CG ARG A 12 6.194 -5.925 1.264 1.00 0.00 C ATOM 135 CD ARG A 12 6.279 -6.656 2.605 1.00 0.00 C ATOM 136 NE ARG A 12 7.692 -6.945 2.936 1.00 0.00 N ATOM 137 CZ ARG A 12 8.080 -7.743 3.940 1.00 0.00 C ATOM 138 NH1 ARG A 12 7.164 -8.336 4.717 1.00 0.00 N ATOM 139 NH2 ARG A 12 9.385 -7.947 4.167 1.00 0.00 N ATOM 0 H ARG A 12 5.815 -3.420 -1.154 1.00 0.00 H new ATOM 0 HA ARG A 12 3.864 -5.331 -0.055 1.00 0.00 H new ATOM 0 HB2 ARG A 12 5.952 -3.802 1.555 1.00 0.00 H new ATOM 0 HB3 ARG A 12 4.654 -4.766 2.231 1.00 0.00 H new ATOM 0 HG2 ARG A 12 5.782 -6.593 0.507 1.00 0.00 H new ATOM 0 HG3 ARG A 12 7.195 -5.647 0.933 1.00 0.00 H new ATOM 0 HD2 ARG A 12 5.831 -6.047 3.390 1.00 0.00 H new ATOM 0 HD3 ARG A 12 5.711 -7.585 2.559 1.00 0.00 H new ATOM 0 HE ARG A 12 8.416 -6.510 2.364 1.00 0.00 H new ATOM 0 HH11 ARG A 12 6.171 -8.180 4.544 1.00 0.00 H new ATOM 0 HH12 ARG A 12 7.460 -8.943 5.481 1.00 0.00 H new ATOM 0 HH21 ARG A 12 10.082 -7.495 3.576 1.00 0.00 H new ATOM 0 HH22 ARG A 12 9.681 -8.554 4.931 1.00 0.00 H new ATOM 153 N VAL A 13 2.364 -3.446 0.560 1.00 0.00 N ATOM 154 CA VAL A 13 1.424 -2.353 0.743 1.00 0.00 C ATOM 155 C VAL A 13 0.940 -2.341 2.195 1.00 0.00 C ATOM 156 O VAL A 13 0.054 -3.110 2.564 1.00 0.00 O ATOM 157 CB VAL A 13 0.281 -2.470 -0.267 1.00 0.00 C ATOM 158 CG1 VAL A 13 -0.868 -1.525 0.092 1.00 0.00 C ATOM 159 CG2 VAL A 13 0.779 -2.211 -1.690 1.00 0.00 C ATOM 0 H VAL A 13 1.964 -4.377 0.678 1.00 0.00 H new ATOM 0 HA VAL A 13 1.910 -1.396 0.553 1.00 0.00 H new ATOM 0 HB VAL A 13 -0.100 -3.491 -0.225 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -1.667 -1.628 -0.642 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -1.250 -1.776 1.082 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -0.507 -0.497 0.092 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -0.053 -2.300 -2.389 1.00 0.00 H new ATOM 0 HG22 VAL A 13 1.198 -1.207 -1.752 1.00 0.00 H new ATOM 0 HG23 VAL A 13 1.547 -2.941 -1.945 1.00 0.00 H new ATOM 169 N TYR A 14 1.542 -1.458 2.979 1.00 0.00 N ATOM 170 CA TYR A 14 1.183 -1.336 4.381 1.00 0.00 C ATOM 171 C TYR A 14 -0.158 -0.617 4.543 1.00 0.00 C ATOM 172 O TYR A 14 -0.224 0.609 4.462 1.00 0.00 O ATOM 173 CB TYR A 14 2.283 -0.489 5.025 1.00 0.00 C ATOM 174 CG TYR A 14 3.581 -1.253 5.292 1.00 0.00 C ATOM 175 CD1 TYR A 14 4.404 -1.604 4.241 1.00 0.00 C ATOM 176 CD2 TYR A 14 3.928 -1.593 6.584 1.00 0.00 C ATOM 177 CE1 TYR A 14 5.626 -2.323 4.493 1.00 0.00 C ATOM 178 CE2 TYR A 14 5.150 -2.312 6.835 1.00 0.00 C ATOM 179 CZ TYR A 14 5.938 -2.642 5.777 1.00 0.00 C ATOM 180 OH TYR A 14 7.092 -3.322 6.014 1.00 0.00 O ATOM 0 H TYR A 14 2.276 -0.821 2.669 1.00 0.00 H new ATOM 0 HA TYR A 14 1.089 -2.320 4.840 1.00 0.00 H new ATOM 0 HB2 TYR A 14 2.500 0.360 4.377 1.00 0.00 H new ATOM 0 HB3 TYR A 14 1.911 -0.084 5.966 1.00 0.00 H new ATOM 0 HD1 TYR A 14 4.132 -1.339 3.230 1.00 0.00 H new ATOM 0 HD2 TYR A 14 3.283 -1.320 7.406 1.00 0.00 H new ATOM 0 HE1 TYR A 14 6.280 -2.602 3.680 1.00 0.00 H new ATOM 0 HE2 TYR A 14 5.434 -2.583 7.841 1.00 0.00 H new ATOM 0 HH TYR A 14 7.186 -3.481 6.976 1.00 0.00 H new ATOM 190 N SER A 15 -1.195 -1.411 4.770 1.00 0.00 N ATOM 191 CA SER A 15 -2.530 -0.866 4.944 1.00 0.00 C ATOM 192 C SER A 15 -3.011 -1.107 6.376 1.00 0.00 C ATOM 193 O SER A 15 -2.327 -1.760 7.162 1.00 0.00 O ATOM 194 CB SER A 15 -3.511 -1.481 3.944 1.00 0.00 C ATOM 195 OG SER A 15 -3.644 -2.889 4.123 1.00 0.00 O ATOM 0 H SER A 15 -1.137 -2.427 4.837 1.00 0.00 H new ATOM 0 HA SER A 15 -2.488 0.207 4.757 1.00 0.00 H new ATOM 0 HB2 SER A 15 -4.487 -1.008 4.055 1.00 0.00 H new ATOM 0 HB3 SER A 15 -3.171 -1.275 2.929 1.00 0.00 H new ATOM 0 HG SER A 15 -2.895 -3.223 4.659 1.00 0.00 H new ATOM 201 N THR A 16 -4.185 -0.567 6.671 1.00 0.00 N ATOM 202 CA THR A 16 -4.765 -0.716 7.995 1.00 0.00 C ATOM 203 C THR A 16 -6.171 -1.311 7.897 1.00 0.00 C ATOM 204 O THR A 16 -7.048 -0.738 7.252 1.00 0.00 O ATOM 205 CB THR A 16 -4.730 0.650 8.683 1.00 0.00 C ATOM 206 OG1 THR A 16 -5.561 0.484 9.828 1.00 0.00 O ATOM 207 CG2 THR A 16 -5.435 1.735 7.866 1.00 0.00 C ATOM 0 H THR A 16 -4.750 -0.026 6.016 1.00 0.00 H new ATOM 0 HA THR A 16 -4.191 -1.416 8.602 1.00 0.00 H new ATOM 0 HB THR A 16 -3.694 0.942 8.858 1.00 0.00 H new ATOM 0 HG1 THR A 16 -5.352 1.179 10.487 1.00 0.00 H new ATOM 0 HG21 THR A 16 -5.381 2.684 8.399 1.00 0.00 H new ATOM 0 HG22 THR A 16 -4.947 1.835 6.896 1.00 0.00 H new ATOM 0 HG23 THR A 16 -6.479 1.460 7.720 1.00 0.00 H new ATOM 215 N SER A 17 -6.342 -2.454 8.546 1.00 0.00 N ATOM 216 CA SER A 17 -7.627 -3.133 8.540 1.00 0.00 C ATOM 217 C SER A 17 -8.638 -2.346 9.377 1.00 0.00 C ATOM 218 O SER A 17 -9.827 -2.325 9.061 1.00 0.00 O ATOM 219 CB SER A 17 -7.497 -4.562 9.070 1.00 0.00 C ATOM 220 OG SER A 17 -8.752 -5.235 9.106 1.00 0.00 O ATOM 0 H SER A 17 -5.612 -2.927 9.079 1.00 0.00 H new ATOM 0 HA SER A 17 -7.981 -3.187 7.510 1.00 0.00 H new ATOM 0 HB2 SER A 17 -6.804 -5.120 8.440 1.00 0.00 H new ATOM 0 HB3 SER A 17 -7.069 -4.539 10.072 1.00 0.00 H new ATOM 0 HG SER A 17 -8.626 -6.144 9.449 1.00 0.00 H new ATOM 226 N VAL A 18 -8.129 -1.719 10.427 1.00 0.00 N ATOM 227 CA VAL A 18 -8.973 -0.934 11.311 1.00 0.00 C ATOM 228 C VAL A 18 -8.607 0.546 11.177 1.00 0.00 C ATOM 229 O VAL A 18 -7.494 0.947 11.511 1.00 0.00 O ATOM 230 CB VAL A 18 -8.853 -1.451 12.746 1.00 0.00 C ATOM 231 CG1 VAL A 18 -7.629 -0.854 13.443 1.00 0.00 C ATOM 232 CG2 VAL A 18 -10.129 -1.168 13.540 1.00 0.00 C ATOM 0 H VAL A 18 -7.142 -1.739 10.685 1.00 0.00 H new ATOM 0 HA VAL A 18 -10.021 -1.037 11.029 1.00 0.00 H new ATOM 0 HB VAL A 18 -8.720 -2.532 12.702 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -7.567 -1.238 14.461 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -6.728 -1.130 12.896 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -7.719 0.232 13.469 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -10.017 -1.546 14.556 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -10.308 -0.093 13.570 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -10.973 -1.663 13.060 1.00 0.00 H new ATOM 242 N THR A 19 -9.566 1.317 10.686 1.00 0.00 N ATOM 243 CA THR A 19 -9.359 2.744 10.504 1.00 0.00 C ATOM 244 C THR A 19 -10.702 3.464 10.360 1.00 0.00 C ATOM 245 O THR A 19 -11.593 2.988 9.659 1.00 0.00 O ATOM 246 CB THR A 19 -8.434 2.937 9.300 1.00 0.00 C ATOM 247 OG1 THR A 19 -8.340 4.352 9.158 1.00 0.00 O ATOM 248 CG2 THR A 19 -9.074 2.473 7.990 1.00 0.00 C ATOM 0 H THR A 19 -10.488 0.981 10.409 1.00 0.00 H new ATOM 0 HA THR A 19 -8.879 3.189 11.376 1.00 0.00 H new ATOM 0 HB THR A 19 -7.506 2.390 9.464 1.00 0.00 H new ATOM 0 HG1 THR A 19 -8.197 4.577 8.215 1.00 0.00 H new ATOM 0 HG21 THR A 19 -8.376 2.632 7.168 1.00 0.00 H new ATOM 0 HG22 THR A 19 -9.318 1.413 8.060 1.00 0.00 H new ATOM 0 HG23 THR A 19 -9.985 3.043 7.808 1.00 0.00 H new ATOM 256 N GLY A 20 -10.803 4.599 11.036 1.00 0.00 N ATOM 257 CA GLY A 20 -12.022 5.389 10.992 1.00 0.00 C ATOM 258 C GLY A 20 -11.849 6.614 10.092 1.00 0.00 C ATOM 259 O GLY A 20 -12.163 7.733 10.495 1.00 0.00 O ATOM 0 H GLY A 20 -10.061 4.990 11.617 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -12.844 4.776 10.623 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -12.289 5.708 11.999 1.00 0.00 H new ATOM 263 N SER A 21 -11.351 6.361 8.891 1.00 0.00 N ATOM 264 CA SER A 21 -11.132 7.429 7.931 1.00 0.00 C ATOM 265 C SER A 21 -11.251 6.884 6.506 1.00 0.00 C ATOM 266 O SER A 21 -10.266 6.422 5.931 1.00 0.00 O ATOM 267 CB SER A 21 -9.765 8.084 8.137 1.00 0.00 C ATOM 268 OG SER A 21 -9.861 9.504 8.224 1.00 0.00 O ATOM 0 H SER A 21 -11.093 5.431 8.561 1.00 0.00 H new ATOM 0 HA SER A 21 -11.896 8.191 8.087 1.00 0.00 H new ATOM 0 HB2 SER A 21 -9.310 7.695 9.048 1.00 0.00 H new ATOM 0 HB3 SER A 21 -9.106 7.815 7.312 1.00 0.00 H new ATOM 0 HG SER A 21 -8.968 9.885 8.357 1.00 0.00 H new ATOM 274 N ARG A 22 -12.463 6.957 5.978 1.00 0.00 N ATOM 275 CA ARG A 22 -12.723 6.477 4.631 1.00 0.00 C ATOM 276 C ARG A 22 -11.563 6.845 3.704 1.00 0.00 C ATOM 277 O ARG A 22 -11.089 6.009 2.935 1.00 0.00 O ATOM 278 CB ARG A 22 -14.019 7.070 4.075 1.00 0.00 C ATOM 279 CG ARG A 22 -15.188 6.099 4.256 1.00 0.00 C ATOM 280 CD ARG A 22 -16.528 6.831 4.166 1.00 0.00 C ATOM 281 NE ARG A 22 -17.631 5.914 4.530 1.00 0.00 N ATOM 282 CZ ARG A 22 -18.926 6.259 4.526 1.00 0.00 C ATOM 283 NH1 ARG A 22 -19.288 7.501 4.178 1.00 0.00 N ATOM 284 NH2 ARG A 22 -19.859 5.361 4.871 1.00 0.00 N ATOM 0 H ARG A 22 -13.277 7.341 6.458 1.00 0.00 H new ATOM 0 HA ARG A 22 -12.825 5.393 4.679 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -14.240 8.009 4.582 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -13.893 7.300 3.017 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -15.142 5.322 3.492 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -15.106 5.601 5.222 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -16.526 7.693 4.833 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -16.678 7.210 3.155 1.00 0.00 H new ATOM 0 HE ARG A 22 -17.391 4.960 4.801 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -18.578 8.185 3.916 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -20.274 7.763 4.175 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -19.583 4.416 5.136 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -20.845 5.623 4.868 1.00 0.00 H new ATOM 298 N GLU A 23 -11.138 8.095 3.807 1.00 0.00 N ATOM 299 CA GLU A 23 -10.043 8.584 2.987 1.00 0.00 C ATOM 300 C GLU A 23 -8.910 7.556 2.947 1.00 0.00 C ATOM 301 O GLU A 23 -8.574 7.039 1.882 1.00 0.00 O ATOM 302 CB GLU A 23 -9.538 9.936 3.496 1.00 0.00 C ATOM 303 CG GLU A 23 -10.215 11.089 2.752 1.00 0.00 C ATOM 304 CD GLU A 23 -9.222 11.809 1.837 1.00 0.00 C ATOM 305 OE1 GLU A 23 -9.061 11.337 0.691 1.00 0.00 O ATOM 306 OE2 GLU A 23 -8.647 12.815 2.305 1.00 0.00 O ATOM 0 H GLU A 23 -11.533 8.785 4.447 1.00 0.00 H new ATOM 0 HA GLU A 23 -10.412 8.730 1.972 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -9.734 10.023 4.565 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -8.458 9.998 3.364 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -11.048 10.707 2.162 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -10.631 11.795 3.470 1.00 0.00 H new ATOM 313 N ILE A 24 -8.353 7.290 4.119 1.00 0.00 N ATOM 314 CA ILE A 24 -7.266 6.333 4.231 1.00 0.00 C ATOM 315 C ILE A 24 -7.581 5.107 3.372 1.00 0.00 C ATOM 316 O ILE A 24 -6.908 4.856 2.372 1.00 0.00 O ATOM 317 CB ILE A 24 -6.993 6.001 5.699 1.00 0.00 C ATOM 318 CG1 ILE A 24 -6.540 7.244 6.468 1.00 0.00 C ATOM 319 CG2 ILE A 24 -5.990 4.852 5.825 1.00 0.00 C ATOM 320 CD1 ILE A 24 -6.227 6.904 7.926 1.00 0.00 C ATOM 0 H ILE A 24 -8.634 7.721 5.000 1.00 0.00 H new ATOM 0 HA ILE A 24 -6.340 6.762 3.848 1.00 0.00 H new ATOM 0 HB ILE A 24 -7.926 5.665 6.151 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -5.656 7.668 5.992 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -7.319 8.005 6.428 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -5.814 4.637 6.879 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -6.390 3.964 5.335 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -5.050 5.136 5.351 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -5.908 7.805 8.449 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -7.120 6.503 8.406 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -5.430 6.161 7.963 1.00 0.00 H new ATOM 332 N LYS A 25 -8.603 4.376 3.792 1.00 0.00 N ATOM 333 CA LYS A 25 -9.015 3.183 3.073 1.00 0.00 C ATOM 334 C LYS A 25 -8.935 3.446 1.568 1.00 0.00 C ATOM 335 O LYS A 25 -8.198 2.768 0.854 1.00 0.00 O ATOM 336 CB LYS A 25 -10.396 2.723 3.544 1.00 0.00 C ATOM 337 CG LYS A 25 -10.362 2.305 5.016 1.00 0.00 C ATOM 338 CD LYS A 25 -11.695 1.686 5.441 1.00 0.00 C ATOM 339 CE LYS A 25 -12.648 2.754 5.981 1.00 0.00 C ATOM 340 NZ LYS A 25 -13.580 2.165 6.968 1.00 0.00 N ATOM 0 H LYS A 25 -9.158 4.587 4.621 1.00 0.00 H new ATOM 0 HA LYS A 25 -8.338 2.356 3.289 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -11.118 3.528 3.407 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -10.733 1.886 2.932 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -9.557 1.588 5.176 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -10.145 3.172 5.639 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -12.153 1.181 4.591 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -11.521 0.929 6.205 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -12.077 3.558 6.446 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -13.211 3.197 5.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -14.220 2.903 7.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -14.137 1.414 6.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -13.039 1.764 7.760 1.00 0.00 H new ATOM 354 N SER A 26 -9.704 4.432 1.130 1.00 0.00 N ATOM 355 CA SER A 26 -9.730 4.793 -0.277 1.00 0.00 C ATOM 356 C SER A 26 -8.318 4.719 -0.862 1.00 0.00 C ATOM 357 O SER A 26 -8.084 4.012 -1.841 1.00 0.00 O ATOM 358 CB SER A 26 -10.314 6.193 -0.476 1.00 0.00 C ATOM 359 OG SER A 26 -11.514 6.167 -1.244 1.00 0.00 O ATOM 0 H SER A 26 -10.314 4.992 1.725 1.00 0.00 H new ATOM 0 HA SER A 26 -10.371 4.084 -0.800 1.00 0.00 H new ATOM 0 HB2 SER A 26 -10.515 6.643 0.496 1.00 0.00 H new ATOM 0 HB3 SER A 26 -9.579 6.825 -0.974 1.00 0.00 H new ATOM 0 HG SER A 26 -11.856 7.080 -1.347 1.00 0.00 H new ATOM 365 N GLN A 27 -7.414 5.458 -0.237 1.00 0.00 N ATOM 366 CA GLN A 27 -6.031 5.485 -0.684 1.00 0.00 C ATOM 367 C GLN A 27 -5.485 4.061 -0.808 1.00 0.00 C ATOM 368 O GLN A 27 -4.826 3.729 -1.792 1.00 0.00 O ATOM 369 CB GLN A 27 -5.166 6.323 0.260 1.00 0.00 C ATOM 370 CG GLN A 27 -5.407 7.818 0.042 1.00 0.00 C ATOM 371 CD GLN A 27 -5.405 8.574 1.372 1.00 0.00 C ATOM 372 OE1 GLN A 27 -4.736 8.206 2.324 1.00 0.00 O ATOM 373 NE2 GLN A 27 -6.190 9.648 1.385 1.00 0.00 N ATOM 0 H GLN A 27 -7.611 6.043 0.575 1.00 0.00 H new ATOM 0 HA GLN A 27 -5.997 5.953 -1.668 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -5.391 6.062 1.294 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -4.113 6.093 0.095 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -4.634 8.223 -0.612 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -6.362 7.966 -0.463 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -6.723 9.900 0.553 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -6.258 10.220 2.227 1.00 0.00 H new ATOM 382 N GLN A 28 -5.780 3.258 0.204 1.00 0.00 N ATOM 383 CA GLN A 28 -5.327 1.878 0.221 1.00 0.00 C ATOM 384 C GLN A 28 -5.969 1.095 -0.926 1.00 0.00 C ATOM 385 O GLN A 28 -5.274 0.614 -1.820 1.00 0.00 O ATOM 386 CB GLN A 28 -5.627 1.219 1.569 1.00 0.00 C ATOM 387 CG GLN A 28 -5.135 2.091 2.726 1.00 0.00 C ATOM 388 CD GLN A 28 -5.237 1.343 4.057 1.00 0.00 C ATOM 389 OE1 GLN A 28 -4.318 1.323 4.860 1.00 0.00 O ATOM 390 NE2 GLN A 28 -6.402 0.730 4.246 1.00 0.00 N ATOM 0 H GLN A 28 -6.327 3.537 1.018 1.00 0.00 H new ATOM 0 HA GLN A 28 -4.246 1.869 0.082 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -6.700 1.052 1.665 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -5.146 0.242 1.615 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -4.101 2.387 2.549 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -5.725 3.006 2.773 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -7.130 0.787 3.533 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -6.568 0.203 5.104 1.00 0.00 H new ATOM 399 N SER A 29 -7.289 0.992 -0.865 1.00 0.00 N ATOM 400 CA SER A 29 -8.032 0.276 -1.888 1.00 0.00 C ATOM 401 C SER A 29 -7.542 0.690 -3.277 1.00 0.00 C ATOM 402 O SER A 29 -7.445 -0.142 -4.178 1.00 0.00 O ATOM 403 CB SER A 29 -9.535 0.531 -1.757 1.00 0.00 C ATOM 404 OG SER A 29 -10.240 -0.636 -1.342 1.00 0.00 O ATOM 0 H SER A 29 -7.863 1.393 -0.123 1.00 0.00 H new ATOM 0 HA SER A 29 -7.859 -0.792 -1.752 1.00 0.00 H new ATOM 0 HB2 SER A 29 -9.706 1.332 -1.038 1.00 0.00 H new ATOM 0 HB3 SER A 29 -9.930 0.872 -2.714 1.00 0.00 H new ATOM 0 HG SER A 29 -11.196 -0.432 -1.268 1.00 0.00 H new ATOM 410 N GLU A 30 -7.247 1.975 -3.406 1.00 0.00 N ATOM 411 CA GLU A 30 -6.771 2.510 -4.670 1.00 0.00 C ATOM 412 C GLU A 30 -5.404 1.914 -5.017 1.00 0.00 C ATOM 413 O GLU A 30 -5.259 1.234 -6.031 1.00 0.00 O ATOM 414 CB GLU A 30 -6.709 4.038 -4.631 1.00 0.00 C ATOM 415 CG GLU A 30 -7.993 4.653 -5.192 1.00 0.00 C ATOM 416 CD GLU A 30 -8.701 5.503 -4.135 1.00 0.00 C ATOM 417 OE1 GLU A 30 -7.977 6.190 -3.381 1.00 0.00 O ATOM 418 OE2 GLU A 30 -9.949 5.447 -4.105 1.00 0.00 O ATOM 0 H GLU A 30 -7.328 2.661 -2.656 1.00 0.00 H new ATOM 0 HA GLU A 30 -7.478 2.228 -5.451 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -6.559 4.373 -3.605 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -5.852 4.386 -5.208 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -7.757 5.268 -6.060 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -8.660 3.862 -5.534 1.00 0.00 H new ATOM 425 N VAL A 31 -4.437 2.193 -4.155 1.00 0.00 N ATOM 426 CA VAL A 31 -3.088 1.694 -4.357 1.00 0.00 C ATOM 427 C VAL A 31 -3.153 0.253 -4.867 1.00 0.00 C ATOM 428 O VAL A 31 -2.623 -0.056 -5.933 1.00 0.00 O ATOM 429 CB VAL A 31 -2.279 1.835 -3.066 1.00 0.00 C ATOM 430 CG1 VAL A 31 -0.944 1.095 -3.172 1.00 0.00 C ATOM 431 CG2 VAL A 31 -2.064 3.307 -2.712 1.00 0.00 C ATOM 0 H VAL A 31 -4.561 2.758 -3.315 1.00 0.00 H new ATOM 0 HA VAL A 31 -2.572 2.284 -5.114 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.852 1.377 -2.260 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.389 1.211 -2.241 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.128 0.036 -3.355 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.363 1.510 -3.996 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.486 3.379 -1.790 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.522 3.800 -3.519 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -3.030 3.793 -2.574 1.00 0.00 H new ATOM 441 N THR A 32 -3.807 -0.591 -4.082 1.00 0.00 N ATOM 442 CA THR A 32 -3.948 -1.991 -4.441 1.00 0.00 C ATOM 443 C THR A 32 -4.590 -2.126 -5.823 1.00 0.00 C ATOM 444 O THR A 32 -4.159 -2.943 -6.635 1.00 0.00 O ATOM 445 CB THR A 32 -4.741 -2.686 -3.332 1.00 0.00 C ATOM 446 OG1 THR A 32 -6.047 -2.123 -3.434 1.00 0.00 O ATOM 447 CG2 THR A 32 -4.270 -2.283 -1.934 1.00 0.00 C ATOM 0 H THR A 32 -4.245 -0.331 -3.198 1.00 0.00 H new ATOM 0 HA THR A 32 -2.976 -2.478 -4.520 1.00 0.00 H new ATOM 0 HB THR A 32 -4.654 -3.766 -3.447 1.00 0.00 H new ATOM 0 HG1 THR A 32 -5.977 -1.151 -3.539 1.00 0.00 H new ATOM 0 HG21 THR A 32 -4.866 -2.805 -1.185 1.00 0.00 H new ATOM 0 HG22 THR A 32 -3.220 -2.550 -1.813 1.00 0.00 H new ATOM 0 HG23 THR A 32 -4.388 -1.207 -1.806 1.00 0.00 H new ATOM 455 N ARG A 33 -5.610 -1.310 -6.048 1.00 0.00 N ATOM 456 CA ARG A 33 -6.315 -1.328 -7.318 1.00 0.00 C ATOM 457 C ARG A 33 -5.343 -1.065 -8.470 1.00 0.00 C ATOM 458 O ARG A 33 -5.239 -1.869 -9.395 1.00 0.00 O ATOM 459 CB ARG A 33 -7.425 -0.274 -7.347 1.00 0.00 C ATOM 460 CG ARG A 33 -8.561 -0.699 -8.278 1.00 0.00 C ATOM 461 CD ARG A 33 -9.478 0.483 -8.599 1.00 0.00 C ATOM 462 NE ARG A 33 -10.525 0.065 -9.558 1.00 0.00 N ATOM 463 CZ ARG A 33 -10.301 -0.179 -10.857 1.00 0.00 C ATOM 464 NH1 ARG A 33 -9.065 -0.048 -11.359 1.00 0.00 N ATOM 465 NH2 ARG A 33 -11.311 -0.553 -11.653 1.00 0.00 N ATOM 0 H ARG A 33 -5.964 -0.633 -5.373 1.00 0.00 H new ATOM 0 HA ARG A 33 -6.762 -2.315 -7.434 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -7.813 -0.122 -6.340 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -7.016 0.681 -7.679 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -8.147 -1.104 -9.201 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -9.139 -1.496 -7.811 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -9.939 0.855 -7.684 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -8.895 1.303 -9.019 1.00 0.00 H new ATOM 0 HE ARG A 33 -11.477 -0.044 -9.208 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -8.296 0.237 -10.753 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -8.894 -0.233 -12.347 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -12.252 -0.652 -11.271 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -11.140 -0.738 -12.641 1.00 0.00 H new ATOM 479 N ILE A 34 -4.654 0.063 -8.375 1.00 0.00 N ATOM 480 CA ILE A 34 -3.694 0.442 -9.397 1.00 0.00 C ATOM 481 C ILE A 34 -2.647 -0.665 -9.542 1.00 0.00 C ATOM 482 O ILE A 34 -2.310 -1.064 -10.655 1.00 0.00 O ATOM 483 CB ILE A 34 -3.097 1.816 -9.089 1.00 0.00 C ATOM 484 CG1 ILE A 34 -4.198 2.851 -8.850 1.00 0.00 C ATOM 485 CG2 ILE A 34 -2.129 2.253 -10.190 1.00 0.00 C ATOM 486 CD1 ILE A 34 -4.168 3.361 -7.408 1.00 0.00 C ATOM 0 H ILE A 34 -4.742 0.727 -7.605 1.00 0.00 H new ATOM 0 HA ILE A 34 -4.187 0.544 -10.364 1.00 0.00 H new ATOM 0 HB ILE A 34 -2.521 1.739 -8.167 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -4.071 3.687 -9.538 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -5.171 2.408 -9.063 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.719 3.233 -9.946 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -1.318 1.530 -10.269 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.660 2.308 -11.140 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -4.961 4.095 -7.265 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -4.319 2.526 -6.724 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.203 3.825 -7.206 1.00 0.00 H new ATOM 498 N LEU A 35 -2.161 -1.129 -8.400 1.00 0.00 N ATOM 499 CA LEU A 35 -1.159 -2.181 -8.385 1.00 0.00 C ATOM 500 C LEU A 35 -1.731 -3.433 -9.054 1.00 0.00 C ATOM 501 O LEU A 35 -1.046 -4.090 -9.837 1.00 0.00 O ATOM 502 CB LEU A 35 -0.655 -2.421 -6.961 1.00 0.00 C ATOM 503 CG LEU A 35 0.295 -1.362 -6.398 1.00 0.00 C ATOM 504 CD1 LEU A 35 0.687 -1.689 -4.955 1.00 0.00 C ATOM 505 CD2 LEU A 35 1.519 -1.190 -7.299 1.00 0.00 C ATOM 0 H LEU A 35 -2.443 -0.795 -7.478 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.284 -1.882 -8.962 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.518 -2.495 -6.299 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.149 -3.386 -6.934 1.00 0.00 H new ATOM 0 HG LEU A 35 -0.229 -0.407 -6.381 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.363 -0.921 -4.579 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.208 -1.722 -4.333 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.186 -2.658 -4.924 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.178 -0.432 -6.876 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.054 -2.137 -7.371 1.00 0.00 H new ATOM 0 HD23 LEU A 35 1.198 -0.879 -8.293 1.00 0.00 H new ATOM 517 N ASP A 36 -2.980 -3.725 -8.722 1.00 0.00 N ATOM 518 CA ASP A 36 -3.651 -4.886 -9.281 1.00 0.00 C ATOM 519 C ASP A 36 -3.776 -4.717 -10.796 1.00 0.00 C ATOM 520 O ASP A 36 -3.372 -5.594 -11.558 1.00 0.00 O ATOM 521 CB ASP A 36 -5.060 -5.038 -8.704 1.00 0.00 C ATOM 522 CG ASP A 36 -5.839 -6.252 -9.213 1.00 0.00 C ATOM 523 OD1 ASP A 36 -5.606 -7.349 -8.659 1.00 0.00 O ATOM 524 OD2 ASP A 36 -6.650 -6.057 -10.144 1.00 0.00 O ATOM 0 H ASP A 36 -3.545 -3.177 -8.073 1.00 0.00 H new ATOM 0 HA ASP A 36 -3.062 -5.769 -9.032 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -4.987 -5.101 -7.618 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -5.629 -4.137 -8.933 1.00 0.00 H new ATOM 529 N GLY A 37 -4.338 -3.583 -11.189 1.00 0.00 N ATOM 530 CA GLY A 37 -4.521 -3.287 -12.599 1.00 0.00 C ATOM 531 C GLY A 37 -3.185 -3.317 -13.344 1.00 0.00 C ATOM 532 O GLY A 37 -3.099 -3.844 -14.452 1.00 0.00 O ATOM 0 H GLY A 37 -4.673 -2.858 -10.554 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -5.204 -4.013 -13.041 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -4.982 -2.306 -12.711 1.00 0.00 H new ATOM 536 N LYS A 38 -2.175 -2.745 -12.705 1.00 0.00 N ATOM 537 CA LYS A 38 -0.847 -2.700 -13.293 1.00 0.00 C ATOM 538 C LYS A 38 -0.228 -4.099 -13.253 1.00 0.00 C ATOM 539 O LYS A 38 0.813 -4.338 -13.863 1.00 0.00 O ATOM 540 CB LYS A 38 0.006 -1.630 -12.608 1.00 0.00 C ATOM 541 CG LYS A 38 -0.586 -0.236 -12.824 1.00 0.00 C ATOM 542 CD LYS A 38 0.417 0.683 -13.525 1.00 0.00 C ATOM 543 CE LYS A 38 -0.220 2.032 -13.864 1.00 0.00 C ATOM 544 NZ LYS A 38 -0.196 2.263 -15.326 1.00 0.00 N ATOM 0 H LYS A 38 -2.250 -2.309 -11.786 1.00 0.00 H new ATOM 0 HA LYS A 38 -0.904 -2.407 -14.341 1.00 0.00 H new ATOM 0 HB2 LYS A 38 0.071 -1.840 -11.540 1.00 0.00 H new ATOM 0 HB3 LYS A 38 1.022 -1.663 -13.002 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -1.495 -0.311 -13.421 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -0.870 0.195 -11.864 1.00 0.00 H new ATOM 0 HD2 LYS A 38 1.284 0.837 -12.883 1.00 0.00 H new ATOM 0 HD3 LYS A 38 0.776 0.207 -14.437 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -1.248 2.057 -13.503 1.00 0.00 H new ATOM 0 HE3 LYS A 38 0.316 2.833 -13.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -0.632 3.183 -15.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 0.788 2.260 -15.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -0.727 1.508 -15.805 1.00 0.00 H new ATOM 558 N ARG A 39 -0.895 -4.985 -12.529 1.00 0.00 N ATOM 559 CA ARG A 39 -0.424 -6.354 -12.402 1.00 0.00 C ATOM 560 C ARG A 39 0.958 -6.380 -11.745 1.00 0.00 C ATOM 561 O ARG A 39 1.837 -7.130 -12.169 1.00 0.00 O ATOM 562 CB ARG A 39 -0.345 -7.039 -13.768 1.00 0.00 C ATOM 563 CG ARG A 39 -1.661 -7.742 -14.106 1.00 0.00 C ATOM 564 CD ARG A 39 -1.778 -9.073 -13.361 1.00 0.00 C ATOM 565 NE ARG A 39 -2.914 -9.856 -13.898 1.00 0.00 N ATOM 566 CZ ARG A 39 -2.856 -10.592 -15.016 1.00 0.00 C ATOM 567 NH1 ARG A 39 -1.718 -10.651 -15.722 1.00 0.00 N ATOM 568 NH2 ARG A 39 -3.936 -11.269 -15.429 1.00 0.00 N ATOM 0 H ARG A 39 -1.758 -4.782 -12.024 1.00 0.00 H new ATOM 0 HA ARG A 39 -1.137 -6.894 -11.779 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -0.115 -6.301 -14.536 1.00 0.00 H new ATOM 0 HB3 ARG A 39 0.469 -7.764 -13.769 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -2.500 -7.098 -13.842 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -1.719 -7.916 -15.180 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -0.853 -9.640 -13.466 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -1.922 -8.892 -12.296 1.00 0.00 H new ATOM 0 HE ARG A 39 -3.795 -9.834 -13.385 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -0.896 -10.135 -15.408 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -1.674 -11.211 -16.573 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -4.802 -11.224 -14.892 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -3.892 -11.829 -16.280 1.00 0.00 H new ATOM 582 N ILE A 40 1.107 -5.554 -10.721 1.00 0.00 N ATOM 583 CA ILE A 40 2.367 -5.473 -10.001 1.00 0.00 C ATOM 584 C ILE A 40 2.377 -6.515 -8.881 1.00 0.00 C ATOM 585 O ILE A 40 1.365 -6.725 -8.214 1.00 0.00 O ATOM 586 CB ILE A 40 2.614 -4.044 -9.514 1.00 0.00 C ATOM 587 CG1 ILE A 40 2.915 -3.109 -10.687 1.00 0.00 C ATOM 588 CG2 ILE A 40 3.719 -4.010 -8.455 1.00 0.00 C ATOM 589 CD1 ILE A 40 2.955 -1.650 -10.228 1.00 0.00 C ATOM 0 H ILE A 40 0.376 -4.934 -10.372 1.00 0.00 H new ATOM 0 HA ILE A 40 3.200 -5.708 -10.663 1.00 0.00 H new ATOM 0 HB ILE A 40 1.702 -3.682 -9.040 1.00 0.00 H new ATOM 0 HG12 ILE A 40 3.871 -3.379 -11.136 1.00 0.00 H new ATOM 0 HG13 ILE A 40 2.155 -3.231 -11.458 1.00 0.00 H new ATOM 0 HG21 ILE A 40 3.875 -2.983 -8.125 1.00 0.00 H new ATOM 0 HG22 ILE A 40 3.426 -4.624 -7.603 1.00 0.00 H new ATOM 0 HG23 ILE A 40 4.644 -4.399 -8.881 1.00 0.00 H new ATOM 0 HD11 ILE A 40 3.171 -1.006 -11.081 1.00 0.00 H new ATOM 0 HD12 ILE A 40 1.990 -1.376 -9.801 1.00 0.00 H new ATOM 0 HD13 ILE A 40 3.733 -1.527 -9.474 1.00 0.00 H new ATOM 601 N GLN A 41 3.532 -7.141 -8.710 1.00 0.00 N ATOM 602 CA GLN A 41 3.687 -8.157 -7.682 1.00 0.00 C ATOM 603 C GLN A 41 3.933 -7.502 -6.321 1.00 0.00 C ATOM 604 O GLN A 41 5.000 -6.937 -6.084 1.00 0.00 O ATOM 605 CB GLN A 41 4.817 -9.126 -8.036 1.00 0.00 C ATOM 606 CG GLN A 41 4.272 -10.533 -8.292 1.00 0.00 C ATOM 607 CD GLN A 41 5.274 -11.373 -9.087 1.00 0.00 C ATOM 608 OE1 GLN A 41 5.458 -11.202 -10.281 1.00 0.00 O ATOM 609 NE2 GLN A 41 5.911 -12.287 -8.360 1.00 0.00 N ATOM 0 H GLN A 41 4.369 -6.965 -9.265 1.00 0.00 H new ATOM 0 HA GLN A 41 2.763 -8.732 -7.625 1.00 0.00 H new ATOM 0 HB2 GLN A 41 5.343 -8.769 -8.921 1.00 0.00 H new ATOM 0 HB3 GLN A 41 5.543 -9.156 -7.224 1.00 0.00 H new ATOM 0 HG2 GLN A 41 4.056 -11.021 -7.342 1.00 0.00 H new ATOM 0 HG3 GLN A 41 3.331 -10.469 -8.839 1.00 0.00 H new ATOM 0 HE21 GLN A 41 5.710 -12.378 -7.364 1.00 0.00 H new ATOM 0 HE22 GLN A 41 6.601 -12.897 -8.798 1.00 0.00 H new ATOM 618 N TYR A 42 2.928 -7.598 -5.464 1.00 0.00 N ATOM 619 CA TYR A 42 3.021 -7.022 -4.133 1.00 0.00 C ATOM 620 C TYR A 42 2.206 -7.835 -3.125 1.00 0.00 C ATOM 621 O TYR A 42 1.459 -8.735 -3.507 1.00 0.00 O ATOM 622 CB TYR A 42 2.425 -5.617 -4.239 1.00 0.00 C ATOM 623 CG TYR A 42 0.895 -5.586 -4.196 1.00 0.00 C ATOM 624 CD1 TYR A 42 0.237 -5.658 -2.985 1.00 0.00 C ATOM 625 CD2 TYR A 42 0.174 -5.485 -5.369 1.00 0.00 C ATOM 626 CE1 TYR A 42 -1.202 -5.629 -2.945 1.00 0.00 C ATOM 627 CE2 TYR A 42 -1.265 -5.455 -5.329 1.00 0.00 C ATOM 628 CZ TYR A 42 -1.882 -5.529 -4.119 1.00 0.00 C ATOM 629 OH TYR A 42 -3.241 -5.501 -4.081 1.00 0.00 O ATOM 0 H TYR A 42 2.044 -8.066 -5.665 1.00 0.00 H new ATOM 0 HA TYR A 42 4.056 -7.012 -3.791 1.00 0.00 H new ATOM 0 HB2 TYR A 42 2.814 -5.006 -3.424 1.00 0.00 H new ATOM 0 HB3 TYR A 42 2.762 -5.160 -5.169 1.00 0.00 H new ATOM 0 HD1 TYR A 42 0.801 -5.736 -2.067 1.00 0.00 H new ATOM 0 HD2 TYR A 42 0.689 -5.428 -6.316 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -1.730 -5.685 -2.004 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -1.841 -5.376 -6.239 1.00 0.00 H new ATOM 0 HH TYR A 42 -3.592 -5.426 -4.993 1.00 0.00 H new ATOM 639 N GLN A 43 2.377 -7.489 -1.858 1.00 0.00 N ATOM 640 CA GLN A 43 1.666 -8.175 -0.792 1.00 0.00 C ATOM 641 C GLN A 43 1.052 -7.161 0.175 1.00 0.00 C ATOM 642 O GLN A 43 1.765 -6.350 0.766 1.00 0.00 O ATOM 643 CB GLN A 43 2.589 -9.147 -0.055 1.00 0.00 C ATOM 644 CG GLN A 43 1.811 -10.361 0.457 1.00 0.00 C ATOM 645 CD GLN A 43 2.749 -11.538 0.729 1.00 0.00 C ATOM 646 OE1 GLN A 43 3.330 -12.123 -0.170 1.00 0.00 O ATOM 647 NE2 GLN A 43 2.864 -11.852 2.016 1.00 0.00 N ATOM 0 H GLN A 43 2.998 -6.742 -1.545 1.00 0.00 H new ATOM 0 HA GLN A 43 0.859 -8.758 -1.236 1.00 0.00 H new ATOM 0 HB2 GLN A 43 3.385 -9.476 -0.723 1.00 0.00 H new ATOM 0 HB3 GLN A 43 3.066 -8.637 0.782 1.00 0.00 H new ATOM 0 HG2 GLN A 43 1.278 -10.097 1.371 1.00 0.00 H new ATOM 0 HG3 GLN A 43 1.060 -10.652 -0.277 1.00 0.00 H new ATOM 0 HE21 GLN A 43 2.349 -11.321 2.718 1.00 0.00 H new ATOM 0 HE22 GLN A 43 3.467 -12.624 2.301 1.00 0.00 H new ATOM 656 N LEU A 44 -0.264 -7.239 0.308 1.00 0.00 N ATOM 657 CA LEU A 44 -0.982 -6.338 1.193 1.00 0.00 C ATOM 658 C LEU A 44 -0.698 -6.725 2.646 1.00 0.00 C ATOM 659 O LEU A 44 -0.950 -7.858 3.051 1.00 0.00 O ATOM 660 CB LEU A 44 -2.471 -6.315 0.842 1.00 0.00 C ATOM 661 CG LEU A 44 -3.263 -5.113 1.360 1.00 0.00 C ATOM 662 CD1 LEU A 44 -4.225 -5.530 2.475 1.00 0.00 C ATOM 663 CD2 LEU A 44 -2.326 -3.988 1.803 1.00 0.00 C ATOM 0 H LEU A 44 -0.852 -7.913 -0.183 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.632 -5.314 1.061 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -2.569 -6.349 -0.243 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.930 -7.223 1.232 1.00 0.00 H new ATOM 0 HG LEU A 44 -3.868 -4.724 0.541 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -4.776 -4.657 2.826 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -4.926 -6.272 2.092 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -3.659 -5.958 3.302 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -2.915 -3.146 2.167 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.677 -4.348 2.601 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.718 -3.667 0.957 1.00 0.00 H new ATOM 675 N VAL A 45 -0.178 -5.760 3.391 1.00 0.00 N ATOM 676 CA VAL A 45 0.143 -5.986 4.790 1.00 0.00 C ATOM 677 C VAL A 45 -0.871 -5.247 5.667 1.00 0.00 C ATOM 678 O VAL A 45 -1.264 -4.124 5.355 1.00 0.00 O ATOM 679 CB VAL A 45 1.589 -5.571 5.069 1.00 0.00 C ATOM 680 CG1 VAL A 45 1.914 -5.686 6.560 1.00 0.00 C ATOM 681 CG2 VAL A 45 2.567 -6.394 4.229 1.00 0.00 C ATOM 0 H VAL A 45 0.029 -4.820 3.052 1.00 0.00 H new ATOM 0 HA VAL A 45 0.071 -7.046 5.032 1.00 0.00 H new ATOM 0 HB VAL A 45 1.699 -4.525 4.782 1.00 0.00 H new ATOM 0 HG11 VAL A 45 2.948 -5.385 6.731 1.00 0.00 H new ATOM 0 HG12 VAL A 45 1.248 -5.037 7.129 1.00 0.00 H new ATOM 0 HG13 VAL A 45 1.778 -6.718 6.883 1.00 0.00 H new ATOM 0 HG21 VAL A 45 3.588 -6.079 4.446 1.00 0.00 H new ATOM 0 HG22 VAL A 45 2.454 -7.451 4.471 1.00 0.00 H new ATOM 0 HG23 VAL A 45 2.357 -6.239 3.171 1.00 0.00 H new ATOM 691 N ASP A 46 -1.265 -5.908 6.745 1.00 0.00 N ATOM 692 CA ASP A 46 -2.225 -5.328 7.669 1.00 0.00 C ATOM 693 C ASP A 46 -1.495 -4.857 8.928 1.00 0.00 C ATOM 694 O ASP A 46 -1.054 -5.673 9.736 1.00 0.00 O ATOM 695 CB ASP A 46 -3.276 -6.358 8.089 1.00 0.00 C ATOM 696 CG ASP A 46 -4.414 -5.806 8.951 1.00 0.00 C ATOM 697 OD1 ASP A 46 -4.468 -4.565 9.093 1.00 0.00 O ATOM 698 OD2 ASP A 46 -5.203 -6.637 9.448 1.00 0.00 O ATOM 0 H ASP A 46 -0.937 -6.840 7.000 1.00 0.00 H new ATOM 0 HA ASP A 46 -2.716 -4.495 7.166 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -3.704 -6.805 7.192 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -2.780 -7.158 8.638 1.00 0.00 H new ATOM 703 N ILE A 47 -1.390 -3.543 9.056 1.00 0.00 N ATOM 704 CA ILE A 47 -0.720 -2.954 10.203 1.00 0.00 C ATOM 705 C ILE A 47 -1.595 -3.133 11.446 1.00 0.00 C ATOM 706 O ILE A 47 -1.083 -3.350 12.543 1.00 0.00 O ATOM 707 CB ILE A 47 -0.350 -1.497 9.918 1.00 0.00 C ATOM 708 CG1 ILE A 47 -1.591 -0.602 9.932 1.00 0.00 C ATOM 709 CG2 ILE A 47 0.429 -1.376 8.606 1.00 0.00 C ATOM 710 CD1 ILE A 47 -1.229 0.843 9.584 1.00 0.00 C ATOM 0 H ILE A 47 -1.758 -2.869 8.384 1.00 0.00 H new ATOM 0 HA ILE A 47 0.222 -3.466 10.398 1.00 0.00 H new ATOM 0 HB ILE A 47 0.306 -1.149 10.716 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -2.324 -0.979 9.218 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -2.058 -0.637 10.916 1.00 0.00 H new ATOM 0 HG21 ILE A 47 0.680 -0.330 8.427 1.00 0.00 H new ATOM 0 HG22 ILE A 47 1.345 -1.963 8.671 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -0.182 -1.748 7.784 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -2.129 1.458 9.601 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -0.515 1.225 10.313 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -0.785 0.877 8.589 1.00 0.00 H new ATOM 722 N SER A 48 -2.899 -3.037 11.232 1.00 0.00 N ATOM 723 CA SER A 48 -3.849 -3.186 12.321 1.00 0.00 C ATOM 724 C SER A 48 -3.687 -4.562 12.971 1.00 0.00 C ATOM 725 O SER A 48 -4.140 -4.778 14.095 1.00 0.00 O ATOM 726 CB SER A 48 -5.285 -2.997 11.829 1.00 0.00 C ATOM 727 OG SER A 48 -6.241 -3.427 12.794 1.00 0.00 O ATOM 0 H SER A 48 -3.320 -2.858 10.320 1.00 0.00 H new ATOM 0 HA SER A 48 -3.644 -2.414 13.063 1.00 0.00 H new ATOM 0 HB2 SER A 48 -5.453 -1.946 11.596 1.00 0.00 H new ATOM 0 HB3 SER A 48 -5.428 -3.555 10.904 1.00 0.00 H new ATOM 0 HG SER A 48 -6.977 -3.889 12.342 1.00 0.00 H new ATOM 733 N GLN A 49 -3.041 -5.456 12.238 1.00 0.00 N ATOM 734 CA GLN A 49 -2.815 -6.804 12.729 1.00 0.00 C ATOM 735 C GLN A 49 -1.820 -6.786 13.891 1.00 0.00 C ATOM 736 O GLN A 49 -1.817 -7.689 14.725 1.00 0.00 O ATOM 737 CB GLN A 49 -2.329 -7.723 11.606 1.00 0.00 C ATOM 738 CG GLN A 49 -0.801 -7.773 11.561 1.00 0.00 C ATOM 739 CD GLN A 49 -0.268 -8.967 12.356 1.00 0.00 C ATOM 740 OE1 GLN A 49 -1.000 -9.675 13.027 1.00 0.00 O ATOM 741 NE2 GLN A 49 1.045 -9.150 12.243 1.00 0.00 N ATOM 0 H GLN A 49 -2.667 -5.273 11.307 1.00 0.00 H new ATOM 0 HA GLN A 49 -3.763 -7.200 13.093 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -2.725 -8.727 11.756 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -2.713 -7.369 10.649 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -0.466 -7.842 10.526 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -0.391 -6.849 11.968 1.00 0.00 H new ATOM 0 HE21 GLN A 49 1.600 -8.520 11.664 1.00 0.00 H new ATOM 0 HE22 GLN A 49 1.497 -9.921 12.735 1.00 0.00 H new ATOM 750 N ASP A 50 -0.998 -5.746 13.908 1.00 0.00 N ATOM 751 CA ASP A 50 0.000 -5.598 14.954 1.00 0.00 C ATOM 752 C ASP A 50 0.404 -4.126 15.062 1.00 0.00 C ATOM 753 O ASP A 50 0.988 -3.570 14.133 1.00 0.00 O ATOM 754 CB ASP A 50 1.256 -6.412 14.636 1.00 0.00 C ATOM 755 CG ASP A 50 1.712 -7.358 15.749 1.00 0.00 C ATOM 756 OD1 ASP A 50 0.914 -8.257 16.092 1.00 0.00 O ATOM 757 OD2 ASP A 50 2.848 -7.160 16.231 1.00 0.00 O ATOM 0 H ASP A 50 -1.003 -4.998 13.214 1.00 0.00 H new ATOM 0 HA ASP A 50 -0.434 -5.956 15.888 1.00 0.00 H new ATOM 0 HB2 ASP A 50 1.073 -6.997 13.735 1.00 0.00 H new ATOM 0 HB3 ASP A 50 2.070 -5.723 14.409 1.00 0.00 H new ATOM 762 N ASN A 51 0.078 -3.538 16.203 1.00 0.00 N ATOM 763 CA ASN A 51 0.401 -2.142 16.444 1.00 0.00 C ATOM 764 C ASN A 51 1.850 -1.879 16.030 1.00 0.00 C ATOM 765 O ASN A 51 2.174 -0.795 15.548 1.00 0.00 O ATOM 766 CB ASN A 51 0.262 -1.793 17.927 1.00 0.00 C ATOM 767 CG ASN A 51 -1.180 -1.981 18.402 1.00 0.00 C ATOM 768 OD1 ASN A 51 -2.123 -1.972 17.627 1.00 0.00 O ATOM 769 ND2 ASN A 51 -1.299 -2.151 19.716 1.00 0.00 N ATOM 0 H ASN A 51 -0.407 -4.003 16.971 1.00 0.00 H new ATOM 0 HA ASN A 51 -0.290 -1.531 15.863 1.00 0.00 H new ATOM 0 HB2 ASN A 51 0.928 -2.423 18.516 1.00 0.00 H new ATOM 0 HB3 ASN A 51 0.571 -0.761 18.092 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -2.221 -2.284 20.132 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -0.468 -2.148 20.308 1.00 0.00 H new ATOM 776 N ALA A 52 2.683 -2.889 16.233 1.00 0.00 N ATOM 777 CA ALA A 52 4.089 -2.781 15.887 1.00 0.00 C ATOM 778 C ALA A 52 4.219 -2.263 14.453 1.00 0.00 C ATOM 779 O ALA A 52 4.916 -1.280 14.204 1.00 0.00 O ATOM 780 CB ALA A 52 4.769 -4.137 16.081 1.00 0.00 C ATOM 0 H ALA A 52 2.410 -3.787 16.633 1.00 0.00 H new ATOM 0 HA ALA A 52 4.591 -2.069 16.542 1.00 0.00 H new ATOM 0 HB1 ALA A 52 5.824 -4.055 15.821 1.00 0.00 H new ATOM 0 HB2 ALA A 52 4.675 -4.446 17.122 1.00 0.00 H new ATOM 0 HB3 ALA A 52 4.293 -4.878 15.438 1.00 0.00 H new ATOM 786 N LEU A 53 3.537 -2.948 13.547 1.00 0.00 N ATOM 787 CA LEU A 53 3.567 -2.570 12.144 1.00 0.00 C ATOM 788 C LEU A 53 3.448 -1.049 12.028 1.00 0.00 C ATOM 789 O LEU A 53 4.316 -0.398 11.448 1.00 0.00 O ATOM 790 CB LEU A 53 2.496 -3.332 11.361 1.00 0.00 C ATOM 791 CG LEU A 53 2.732 -4.834 11.190 1.00 0.00 C ATOM 792 CD1 LEU A 53 1.408 -5.581 11.023 1.00 0.00 C ATOM 793 CD2 LEU A 53 3.695 -5.110 10.033 1.00 0.00 C ATOM 0 H LEU A 53 2.960 -3.763 13.757 1.00 0.00 H new ATOM 0 HA LEU A 53 4.519 -2.851 11.694 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.538 -3.189 11.861 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.409 -2.883 10.372 1.00 0.00 H new ATOM 0 HG LEU A 53 3.203 -5.211 12.098 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.604 -6.647 10.903 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.787 -5.423 11.905 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.888 -5.207 10.141 1.00 0.00 H new ATOM 0 HD21 LEU A 53 3.845 -6.185 9.933 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.275 -4.715 9.108 1.00 0.00 H new ATOM 0 HD23 LEU A 53 4.651 -4.627 10.233 1.00 0.00 H new ATOM 805 N ARG A 54 2.367 -0.527 12.588 1.00 0.00 N ATOM 806 CA ARG A 54 2.124 0.905 12.555 1.00 0.00 C ATOM 807 C ARG A 54 3.436 1.671 12.736 1.00 0.00 C ATOM 808 O ARG A 54 3.702 2.632 12.016 1.00 0.00 O ATOM 809 CB ARG A 54 1.142 1.323 13.651 1.00 0.00 C ATOM 810 CG ARG A 54 0.410 2.611 13.270 1.00 0.00 C ATOM 811 CD ARG A 54 -0.774 2.866 14.205 1.00 0.00 C ATOM 812 NE ARG A 54 -1.678 3.878 13.613 1.00 0.00 N ATOM 813 CZ ARG A 54 -2.770 4.358 14.223 1.00 0.00 C ATOM 814 NH1 ARG A 54 -3.101 3.921 15.445 1.00 0.00 N ATOM 815 NH2 ARG A 54 -3.531 5.275 13.610 1.00 0.00 N ATOM 0 H ARG A 54 1.649 -1.070 13.067 1.00 0.00 H new ATOM 0 HA ARG A 54 1.690 1.145 11.584 1.00 0.00 H new ATOM 0 HB2 ARG A 54 0.418 0.525 13.819 1.00 0.00 H new ATOM 0 HB3 ARG A 54 1.679 1.469 14.588 1.00 0.00 H new ATOM 0 HG2 ARG A 54 1.101 3.453 13.314 1.00 0.00 H new ATOM 0 HG3 ARG A 54 0.057 2.542 12.241 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -1.318 1.937 14.378 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -0.415 3.210 15.175 1.00 0.00 H new ATOM 0 HE ARG A 54 -1.456 4.232 12.683 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -2.522 3.223 15.911 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -3.932 4.286 15.909 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -3.279 5.607 12.679 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -4.362 5.641 14.074 1.00 0.00 H new ATOM 829 N ASP A 55 4.221 1.216 13.702 1.00 0.00 N ATOM 830 CA ASP A 55 5.499 1.846 13.986 1.00 0.00 C ATOM 831 C ASP A 55 6.508 1.454 12.905 1.00 0.00 C ATOM 832 O ASP A 55 7.018 2.313 12.187 1.00 0.00 O ATOM 833 CB ASP A 55 6.051 1.386 15.337 1.00 0.00 C ATOM 834 CG ASP A 55 6.997 2.376 16.020 1.00 0.00 C ATOM 835 OD1 ASP A 55 6.517 3.480 16.357 1.00 0.00 O ATOM 836 OD2 ASP A 55 8.179 2.007 16.189 1.00 0.00 O ATOM 0 H ASP A 55 3.997 0.419 14.297 1.00 0.00 H new ATOM 0 HA ASP A 55 5.346 2.925 14.007 1.00 0.00 H new ATOM 0 HB2 ASP A 55 5.214 1.186 16.006 1.00 0.00 H new ATOM 0 HB3 ASP A 55 6.578 0.442 15.195 1.00 0.00 H new ATOM 841 N GLU A 56 6.766 0.157 12.824 1.00 0.00 N ATOM 842 CA GLU A 56 7.705 -0.359 11.842 1.00 0.00 C ATOM 843 C GLU A 56 7.570 0.407 10.525 1.00 0.00 C ATOM 844 O GLU A 56 8.570 0.741 9.891 1.00 0.00 O ATOM 845 CB GLU A 56 7.504 -1.860 11.627 1.00 0.00 C ATOM 846 CG GLU A 56 8.639 -2.662 12.266 1.00 0.00 C ATOM 847 CD GLU A 56 8.106 -3.597 13.353 1.00 0.00 C ATOM 848 OE1 GLU A 56 6.943 -4.032 13.208 1.00 0.00 O ATOM 849 OE2 GLU A 56 8.874 -3.857 14.305 1.00 0.00 O ATOM 0 H GLU A 56 6.341 -0.552 13.422 1.00 0.00 H new ATOM 0 HA GLU A 56 8.716 -0.213 12.223 1.00 0.00 H new ATOM 0 HB2 GLU A 56 6.550 -2.168 12.056 1.00 0.00 H new ATOM 0 HB3 GLU A 56 7.458 -2.075 10.559 1.00 0.00 H new ATOM 0 HG2 GLU A 56 9.153 -3.244 11.501 1.00 0.00 H new ATOM 0 HG3 GLU A 56 9.373 -1.981 12.696 1.00 0.00 H new ATOM 856 N MET A 57 6.325 0.663 10.151 1.00 0.00 N ATOM 857 CA MET A 57 6.046 1.383 8.920 1.00 0.00 C ATOM 858 C MET A 57 6.529 2.832 9.011 1.00 0.00 C ATOM 859 O MET A 57 7.220 3.317 8.116 1.00 0.00 O ATOM 860 CB MET A 57 4.541 1.363 8.646 1.00 0.00 C ATOM 861 CG MET A 57 4.231 1.901 7.248 1.00 0.00 C ATOM 862 SD MET A 57 4.252 3.686 7.263 1.00 0.00 S ATOM 863 CE MET A 57 2.845 4.004 8.315 1.00 0.00 C ATOM 0 H MET A 57 5.498 0.385 10.679 1.00 0.00 H new ATOM 0 HA MET A 57 6.579 0.892 8.106 1.00 0.00 H new ATOM 0 HB2 MET A 57 4.164 0.344 8.739 1.00 0.00 H new ATOM 0 HB3 MET A 57 4.024 1.964 9.394 1.00 0.00 H new ATOM 0 HG2 MET A 57 4.965 1.526 6.534 1.00 0.00 H new ATOM 0 HG3 MET A 57 3.255 1.543 6.920 1.00 0.00 H new ATOM 0 HE1 MET A 57 2.461 5.005 8.117 1.00 0.00 H new ATOM 0 HE2 MET A 57 2.065 3.270 8.112 1.00 0.00 H new ATOM 0 HE3 MET A 57 3.148 3.932 9.360 1.00 0.00 H new ATOM 873 N ARG A 58 6.147 3.482 10.100 1.00 0.00 N ATOM 874 CA ARG A 58 6.532 4.866 10.320 1.00 0.00 C ATOM 875 C ARG A 58 8.053 5.013 10.236 1.00 0.00 C ATOM 876 O ARG A 58 8.557 5.918 9.573 1.00 0.00 O ATOM 877 CB ARG A 58 6.053 5.361 11.686 1.00 0.00 C ATOM 878 CG ARG A 58 4.603 5.844 11.617 1.00 0.00 C ATOM 879 CD ARG A 58 3.870 5.566 12.930 1.00 0.00 C ATOM 880 NE ARG A 58 2.413 5.756 12.746 1.00 0.00 N ATOM 881 CZ ARG A 58 1.545 5.924 13.753 1.00 0.00 C ATOM 882 NH1 ARG A 58 1.980 5.926 15.020 1.00 0.00 N ATOM 883 NH2 ARG A 58 0.241 6.089 13.492 1.00 0.00 N ATOM 0 H ARG A 58 5.575 3.076 10.840 1.00 0.00 H new ATOM 0 HA ARG A 58 6.062 5.469 9.543 1.00 0.00 H new ATOM 0 HB2 ARG A 58 6.138 4.558 12.418 1.00 0.00 H new ATOM 0 HB3 ARG A 58 6.695 6.173 12.028 1.00 0.00 H new ATOM 0 HG2 ARG A 58 4.582 6.913 11.404 1.00 0.00 H new ATOM 0 HG3 ARG A 58 4.088 5.345 10.796 1.00 0.00 H new ATOM 0 HD2 ARG A 58 4.073 4.548 13.261 1.00 0.00 H new ATOM 0 HD3 ARG A 58 4.237 6.234 13.709 1.00 0.00 H new ATOM 0 HE ARG A 58 2.047 5.759 11.794 1.00 0.00 H new ATOM 0 HH11 ARG A 58 2.972 5.800 15.219 1.00 0.00 H new ATOM 0 HH12 ARG A 58 1.319 6.054 15.786 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -0.090 6.087 12.527 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -0.420 6.217 14.258 1.00 0.00 H new ATOM 897 N THR A 59 8.741 4.109 10.918 1.00 0.00 N ATOM 898 CA THR A 59 10.194 4.127 10.929 1.00 0.00 C ATOM 899 C THR A 59 10.740 3.975 9.508 1.00 0.00 C ATOM 900 O THR A 59 11.594 4.751 9.081 1.00 0.00 O ATOM 901 CB THR A 59 10.673 3.032 11.885 1.00 0.00 C ATOM 902 OG1 THR A 59 10.482 3.593 13.180 1.00 0.00 O ATOM 903 CG2 THR A 59 12.183 2.799 11.799 1.00 0.00 C ATOM 0 H THR A 59 8.319 3.360 11.467 1.00 0.00 H new ATOM 0 HA THR A 59 10.575 5.083 11.289 1.00 0.00 H new ATOM 0 HB THR A 59 10.149 2.102 11.663 1.00 0.00 H new ATOM 0 HG1 THR A 59 10.766 2.948 13.861 1.00 0.00 H new ATOM 0 HG21 THR A 59 12.470 2.013 12.497 1.00 0.00 H new ATOM 0 HG22 THR A 59 12.448 2.499 10.785 1.00 0.00 H new ATOM 0 HG23 THR A 59 12.708 3.720 12.053 1.00 0.00 H new ATOM 911 N LEU A 60 10.226 2.970 8.815 1.00 0.00 N ATOM 912 CA LEU A 60 10.651 2.707 7.451 1.00 0.00 C ATOM 913 C LEU A 60 10.359 3.933 6.584 1.00 0.00 C ATOM 914 O LEU A 60 11.233 4.412 5.864 1.00 0.00 O ATOM 915 CB LEU A 60 10.012 1.419 6.929 1.00 0.00 C ATOM 916 CG LEU A 60 10.577 0.113 7.493 1.00 0.00 C ATOM 917 CD1 LEU A 60 9.608 -1.048 7.264 1.00 0.00 C ATOM 918 CD2 LEU A 60 11.965 -0.177 6.917 1.00 0.00 C ATOM 0 H LEU A 60 9.519 2.328 9.173 1.00 0.00 H new ATOM 0 HA LEU A 60 11.727 2.539 7.414 1.00 0.00 H new ATOM 0 HB2 LEU A 60 8.944 1.453 7.145 1.00 0.00 H new ATOM 0 HB3 LEU A 60 10.117 1.399 5.844 1.00 0.00 H new ATOM 0 HG LEU A 60 10.692 0.228 8.571 1.00 0.00 H new ATOM 0 HD11 LEU A 60 10.034 -1.964 7.674 1.00 0.00 H new ATOM 0 HD12 LEU A 60 8.661 -0.835 7.760 1.00 0.00 H new ATOM 0 HD13 LEU A 60 9.438 -1.174 6.195 1.00 0.00 H new ATOM 0 HD21 LEU A 60 12.344 -1.110 7.334 1.00 0.00 H new ATOM 0 HD22 LEU A 60 11.898 -0.265 5.833 1.00 0.00 H new ATOM 0 HD23 LEU A 60 12.643 0.637 7.174 1.00 0.00 H new ATOM 930 N ALA A 61 9.125 4.407 6.683 1.00 0.00 N ATOM 931 CA ALA A 61 8.706 5.569 5.917 1.00 0.00 C ATOM 932 C ALA A 61 9.632 6.745 6.234 1.00 0.00 C ATOM 933 O ALA A 61 10.231 7.329 5.332 1.00 0.00 O ATOM 934 CB ALA A 61 7.241 5.882 6.224 1.00 0.00 C ATOM 0 H ALA A 61 8.402 4.008 7.282 1.00 0.00 H new ATOM 0 HA ALA A 61 8.780 5.370 4.848 1.00 0.00 H new ATOM 0 HB1 ALA A 61 6.927 6.753 5.649 1.00 0.00 H new ATOM 0 HB2 ALA A 61 6.622 5.027 5.954 1.00 0.00 H new ATOM 0 HB3 ALA A 61 7.129 6.089 7.288 1.00 0.00 H new ATOM 940 N GLY A 62 9.721 7.057 7.519 1.00 0.00 N ATOM 941 CA GLY A 62 10.564 8.152 7.966 1.00 0.00 C ATOM 942 C GLY A 62 9.727 9.261 8.608 1.00 0.00 C ATOM 943 O GLY A 62 9.965 10.443 8.364 1.00 0.00 O ATOM 0 H GLY A 62 9.223 6.570 8.264 1.00 0.00 H new ATOM 0 HA2 GLY A 62 11.296 7.782 8.684 1.00 0.00 H new ATOM 0 HA3 GLY A 62 11.121 8.555 7.121 1.00 0.00 H new ATOM 947 N ASN A 63 8.766 8.840 9.417 1.00 0.00 N ATOM 948 CA ASN A 63 7.893 9.782 10.096 1.00 0.00 C ATOM 949 C ASN A 63 6.994 9.024 11.074 1.00 0.00 C ATOM 950 O ASN A 63 6.402 8.007 10.718 1.00 0.00 O ATOM 951 CB ASN A 63 6.994 10.517 9.099 1.00 0.00 C ATOM 952 CG ASN A 63 6.647 11.919 9.603 1.00 0.00 C ATOM 953 OD1 ASN A 63 7.472 12.631 10.152 1.00 0.00 O ATOM 954 ND2 ASN A 63 5.384 12.275 9.387 1.00 0.00 N ATOM 0 H ASN A 63 8.573 7.859 9.618 1.00 0.00 H new ATOM 0 HA ASN A 63 8.519 10.505 10.618 1.00 0.00 H new ATOM 0 HB2 ASN A 63 7.497 10.588 8.134 1.00 0.00 H new ATOM 0 HB3 ASN A 63 6.079 9.947 8.941 1.00 0.00 H new ATOM 0 HD21 ASN A 63 5.054 13.193 9.687 1.00 0.00 H new ATOM 0 HD22 ASN A 63 4.745 11.631 8.922 1.00 0.00 H new ATOM 961 N PRO A 64 6.918 9.563 12.321 1.00 0.00 N ATOM 962 CA PRO A 64 6.101 8.949 13.353 1.00 0.00 C ATOM 963 C PRO A 64 4.615 9.218 13.109 1.00 0.00 C ATOM 964 O PRO A 64 3.767 8.395 13.453 1.00 0.00 O ATOM 965 CB PRO A 64 6.606 9.542 14.659 1.00 0.00 C ATOM 966 CG PRO A 64 7.363 10.804 14.278 1.00 0.00 C ATOM 967 CD PRO A 64 7.606 10.767 12.778 1.00 0.00 C ATOM 0 HA PRO A 64 6.185 7.862 13.365 1.00 0.00 H new ATOM 0 HB2 PRO A 64 5.778 9.771 15.330 1.00 0.00 H new ATOM 0 HB3 PRO A 64 7.255 8.840 15.182 1.00 0.00 H new ATOM 0 HG2 PRO A 64 6.789 11.690 14.550 1.00 0.00 H new ATOM 0 HG3 PRO A 64 8.309 10.859 14.817 1.00 0.00 H new ATOM 0 HD2 PRO A 64 7.211 11.658 12.291 1.00 0.00 H new ATOM 0 HD3 PRO A 64 8.671 10.725 12.550 1.00 0.00 H new ATOM 975 N LYS A 65 4.345 10.372 12.518 1.00 0.00 N ATOM 976 CA LYS A 65 2.976 10.760 12.224 1.00 0.00 C ATOM 977 C LYS A 65 2.625 10.335 10.797 1.00 0.00 C ATOM 978 O LYS A 65 1.899 11.038 10.097 1.00 0.00 O ATOM 979 CB LYS A 65 2.773 12.253 12.488 1.00 0.00 C ATOM 980 CG LYS A 65 2.987 12.583 13.967 1.00 0.00 C ATOM 981 CD LYS A 65 4.429 13.024 14.228 1.00 0.00 C ATOM 982 CE LYS A 65 4.594 14.526 13.986 1.00 0.00 C ATOM 983 NZ LYS A 65 5.998 14.845 13.644 1.00 0.00 N ATOM 0 H LYS A 65 5.051 11.051 12.235 1.00 0.00 H new ATOM 0 HA LYS A 65 2.284 10.245 12.890 1.00 0.00 H new ATOM 0 HB2 LYS A 65 3.467 12.831 11.879 1.00 0.00 H new ATOM 0 HB3 LYS A 65 1.767 12.545 12.189 1.00 0.00 H new ATOM 0 HG2 LYS A 65 2.301 13.374 14.270 1.00 0.00 H new ATOM 0 HG3 LYS A 65 2.755 11.709 14.576 1.00 0.00 H new ATOM 0 HD2 LYS A 65 4.706 12.785 15.255 1.00 0.00 H new ATOM 0 HD3 LYS A 65 5.106 12.470 13.577 1.00 0.00 H new ATOM 0 HE2 LYS A 65 3.935 14.845 13.178 1.00 0.00 H new ATOM 0 HE3 LYS A 65 4.296 15.079 14.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 6.092 15.868 13.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 6.620 14.559 14.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 6.270 14.332 12.781 1.00 0.00 H new ATOM 997 N ALA A 66 3.158 9.185 10.408 1.00 0.00 N ATOM 998 CA ALA A 66 2.910 8.658 9.077 1.00 0.00 C ATOM 999 C ALA A 66 1.642 7.803 9.100 1.00 0.00 C ATOM 1000 O ALA A 66 1.250 7.295 10.150 1.00 0.00 O ATOM 1001 CB ALA A 66 4.135 7.872 8.603 1.00 0.00 C ATOM 0 H ALA A 66 3.760 8.604 10.991 1.00 0.00 H new ATOM 0 HA ALA A 66 2.748 9.469 8.367 1.00 0.00 H new ATOM 0 HB1 ALA A 66 3.949 7.476 7.604 1.00 0.00 H new ATOM 0 HB2 ALA A 66 5.003 8.531 8.577 1.00 0.00 H new ATOM 0 HB3 ALA A 66 4.327 7.048 9.290 1.00 0.00 H new ATOM 1007 N THR A 67 1.036 7.669 7.929 1.00 0.00 N ATOM 1008 CA THR A 67 -0.181 6.884 7.802 1.00 0.00 C ATOM 1009 C THR A 67 -0.206 6.156 6.456 1.00 0.00 C ATOM 1010 O THR A 67 0.512 6.529 5.530 1.00 0.00 O ATOM 1011 CB THR A 67 -1.372 7.821 8.008 1.00 0.00 C ATOM 1012 OG1 THR A 67 -1.122 8.903 7.115 1.00 0.00 O ATOM 1013 CG2 THR A 67 -1.371 8.474 9.392 1.00 0.00 C ATOM 0 H THR A 67 1.365 8.090 7.060 1.00 0.00 H new ATOM 0 HA THR A 67 -0.230 6.103 8.561 1.00 0.00 H new ATOM 0 HB THR A 67 -2.299 7.264 7.869 1.00 0.00 H new ATOM 0 HG1 THR A 67 -1.848 9.558 7.183 1.00 0.00 H new ATOM 0 HG21 THR A 67 -2.237 9.129 9.486 1.00 0.00 H new ATOM 0 HG22 THR A 67 -1.416 7.701 10.159 1.00 0.00 H new ATOM 0 HG23 THR A 67 -0.459 9.058 9.518 1.00 0.00 H new ATOM 1021 N PRO A 68 -1.064 5.103 6.390 1.00 0.00 N ATOM 1022 CA PRO A 68 -1.193 4.319 5.173 1.00 0.00 C ATOM 1023 C PRO A 68 -1.990 5.080 4.112 1.00 0.00 C ATOM 1024 O PRO A 68 -2.626 6.089 4.413 1.00 0.00 O ATOM 1025 CB PRO A 68 -1.865 3.026 5.607 1.00 0.00 C ATOM 1026 CG PRO A 68 -2.505 3.321 6.954 1.00 0.00 C ATOM 1027 CD PRO A 68 -1.930 4.632 7.466 1.00 0.00 C ATOM 0 HA PRO A 68 -0.232 4.114 4.701 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -2.613 2.711 4.880 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -1.139 2.217 5.688 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -3.588 3.392 6.855 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -2.302 2.514 7.658 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -2.719 5.352 7.683 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -1.370 4.485 8.389 1.00 0.00 H new ATOM 1035 N PRO A 69 -1.930 4.553 2.860 1.00 0.00 N ATOM 1036 CA PRO A 69 -1.154 3.354 2.589 1.00 0.00 C ATOM 1037 C PRO A 69 0.344 3.664 2.569 1.00 0.00 C ATOM 1038 O PRO A 69 0.754 4.787 2.858 1.00 0.00 O ATOM 1039 CB PRO A 69 -1.673 2.843 1.255 1.00 0.00 C ATOM 1040 CG PRO A 69 -2.387 4.019 0.607 1.00 0.00 C ATOM 1041 CD PRO A 69 -2.595 5.082 1.673 1.00 0.00 C ATOM 0 HA PRO A 69 -1.268 2.595 3.363 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -0.855 2.489 0.628 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -2.353 2.003 1.396 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -1.796 4.416 -0.218 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -3.344 3.703 0.191 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -2.164 6.036 1.370 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -3.655 5.255 1.857 1.00 0.00 H new ATOM 1049 N GLN A 70 1.121 2.647 2.224 1.00 0.00 N ATOM 1050 CA GLN A 70 2.565 2.797 2.162 1.00 0.00 C ATOM 1051 C GLN A 70 3.169 1.740 1.235 1.00 0.00 C ATOM 1052 O GLN A 70 3.110 0.546 1.527 1.00 0.00 O ATOM 1053 CB GLN A 70 3.184 2.719 3.559 1.00 0.00 C ATOM 1054 CG GLN A 70 4.120 3.903 3.811 1.00 0.00 C ATOM 1055 CD GLN A 70 3.344 5.111 4.341 1.00 0.00 C ATOM 1056 OE1 GLN A 70 2.301 4.989 4.960 1.00 0.00 O ATOM 1057 NE2 GLN A 70 3.912 6.282 4.063 1.00 0.00 N ATOM 0 H GLN A 70 0.778 1.717 1.985 1.00 0.00 H new ATOM 0 HA GLN A 70 2.792 3.782 1.754 1.00 0.00 H new ATOM 0 HB2 GLN A 70 2.394 2.709 4.310 1.00 0.00 H new ATOM 0 HB3 GLN A 70 3.736 1.785 3.664 1.00 0.00 H new ATOM 0 HG2 GLN A 70 4.889 3.617 4.528 1.00 0.00 H new ATOM 0 HG3 GLN A 70 4.630 4.171 2.886 1.00 0.00 H new ATOM 0 HE21 GLN A 70 4.787 6.313 3.540 1.00 0.00 H new ATOM 0 HE22 GLN A 70 3.472 7.149 4.373 1.00 0.00 H new ATOM 1066 N ILE A 71 3.735 2.217 0.136 1.00 0.00 N ATOM 1067 CA ILE A 71 4.349 1.328 -0.835 1.00 0.00 C ATOM 1068 C ILE A 71 5.812 1.095 -0.454 1.00 0.00 C ATOM 1069 O ILE A 71 6.554 2.047 -0.215 1.00 0.00 O ATOM 1070 CB ILE A 71 4.162 1.872 -2.253 1.00 0.00 C ATOM 1071 CG1 ILE A 71 2.680 2.089 -2.566 1.00 0.00 C ATOM 1072 CG2 ILE A 71 4.838 0.965 -3.282 1.00 0.00 C ATOM 1073 CD1 ILE A 71 2.337 3.580 -2.587 1.00 0.00 C ATOM 0 H ILE A 71 3.781 3.207 -0.103 1.00 0.00 H new ATOM 0 HA ILE A 71 3.858 0.355 -0.824 1.00 0.00 H new ATOM 0 HB ILE A 71 4.650 2.845 -2.312 1.00 0.00 H new ATOM 0 HG12 ILE A 71 2.439 1.643 -3.531 1.00 0.00 H new ATOM 0 HG13 ILE A 71 2.069 1.582 -1.819 1.00 0.00 H new ATOM 0 HG21 ILE A 71 4.690 1.375 -4.281 1.00 0.00 H new ATOM 0 HG22 ILE A 71 5.905 0.905 -3.069 1.00 0.00 H new ATOM 0 HG23 ILE A 71 4.401 -0.032 -3.230 1.00 0.00 H new ATOM 0 HD11 ILE A 71 1.278 3.707 -2.812 1.00 0.00 H new ATOM 0 HD12 ILE A 71 2.556 4.018 -1.613 1.00 0.00 H new ATOM 0 HD13 ILE A 71 2.932 4.080 -3.351 1.00 0.00 H new ATOM 1085 N VAL A 72 6.184 -0.176 -0.409 1.00 0.00 N ATOM 1086 CA VAL A 72 7.545 -0.546 -0.061 1.00 0.00 C ATOM 1087 C VAL A 72 8.050 -1.602 -1.046 1.00 0.00 C ATOM 1088 O VAL A 72 7.294 -2.476 -1.466 1.00 0.00 O ATOM 1089 CB VAL A 72 7.605 -1.010 1.396 1.00 0.00 C ATOM 1090 CG1 VAL A 72 9.053 -1.107 1.881 1.00 0.00 C ATOM 1091 CG2 VAL A 72 6.785 -0.088 2.300 1.00 0.00 C ATOM 0 H VAL A 72 5.566 -0.963 -0.608 1.00 0.00 H new ATOM 0 HA VAL A 72 8.207 0.316 -0.141 1.00 0.00 H new ATOM 0 HB VAL A 72 7.166 -2.006 1.448 1.00 0.00 H new ATOM 0 HG11 VAL A 72 9.068 -1.439 2.919 1.00 0.00 H new ATOM 0 HG12 VAL A 72 9.596 -1.823 1.264 1.00 0.00 H new ATOM 0 HG13 VAL A 72 9.528 -0.129 1.806 1.00 0.00 H new ATOM 0 HG21 VAL A 72 6.845 -0.441 3.330 1.00 0.00 H new ATOM 0 HG22 VAL A 72 7.180 0.926 2.240 1.00 0.00 H new ATOM 0 HG23 VAL A 72 5.744 -0.091 1.975 1.00 0.00 H new ATOM 1101 N ASN A 73 9.325 -1.486 -1.387 1.00 0.00 N ATOM 1102 CA ASN A 73 9.940 -2.419 -2.315 1.00 0.00 C ATOM 1103 C ASN A 73 11.072 -3.166 -1.606 1.00 0.00 C ATOM 1104 O ASN A 73 12.136 -2.601 -1.362 1.00 0.00 O ATOM 1105 CB ASN A 73 10.538 -1.687 -3.518 1.00 0.00 C ATOM 1106 CG ASN A 73 10.641 -2.616 -4.729 1.00 0.00 C ATOM 1107 OD1 ASN A 73 11.232 -3.682 -4.678 1.00 0.00 O ATOM 1108 ND2 ASN A 73 10.034 -2.153 -5.818 1.00 0.00 N ATOM 0 H ASN A 73 9.949 -0.759 -1.037 1.00 0.00 H new ATOM 0 HA ASN A 73 9.169 -3.109 -2.659 1.00 0.00 H new ATOM 0 HB2 ASN A 73 9.919 -0.825 -3.768 1.00 0.00 H new ATOM 0 HB3 ASN A 73 11.527 -1.306 -3.262 1.00 0.00 H new ATOM 0 HD21 ASN A 73 10.045 -2.699 -6.679 1.00 0.00 H new ATOM 0 HD22 ASN A 73 9.557 -1.252 -5.792 1.00 0.00 H new ATOM 1115 N GLY A 74 10.803 -4.426 -1.294 1.00 0.00 N ATOM 1116 CA GLY A 74 11.785 -5.256 -0.618 1.00 0.00 C ATOM 1117 C GLY A 74 12.209 -4.630 0.712 1.00 0.00 C ATOM 1118 O GLY A 74 11.671 -4.973 1.763 1.00 0.00 O ATOM 0 H GLY A 74 9.919 -4.892 -1.497 1.00 0.00 H new ATOM 0 HA2 GLY A 74 11.368 -6.248 -0.441 1.00 0.00 H new ATOM 0 HA3 GLY A 74 12.658 -5.387 -1.257 1.00 0.00 H new ATOM 1122 N ASN A 75 13.171 -3.722 0.623 1.00 0.00 N ATOM 1123 CA ASN A 75 13.673 -3.045 1.806 1.00 0.00 C ATOM 1124 C ASN A 75 13.753 -1.542 1.533 1.00 0.00 C ATOM 1125 O ASN A 75 14.311 -0.791 2.331 1.00 0.00 O ATOM 1126 CB ASN A 75 15.077 -3.536 2.166 1.00 0.00 C ATOM 1127 CG ASN A 75 16.015 -3.449 0.960 1.00 0.00 C ATOM 1128 OD1 ASN A 75 16.578 -2.255 0.798 1.00 0.00 O flip ATOM 1129 ND2 ASN A 75 16.213 -4.403 0.226 1.00 0.00 N flip ATOM 0 H ASN A 75 13.616 -3.440 -0.251 1.00 0.00 H new ATOM 0 HA ASN A 75 12.993 -3.258 2.631 1.00 0.00 H new ATOM 0 HB2 ASN A 75 15.476 -2.938 2.985 1.00 0.00 H new ATOM 0 HB3 ASN A 75 15.027 -4.566 2.518 1.00 0.00 H new ATOM 0 HD21 ASN A 75 15.747 -5.292 0.408 1.00 0.00 H new ATOM 0 HD22 ASN A 75 16.844 -4.312 -0.570 1.00 0.00 H new ATOM 1136 N HIS A 76 13.186 -1.148 0.402 1.00 0.00 N ATOM 1137 CA HIS A 76 13.186 0.253 0.014 1.00 0.00 C ATOM 1138 C HIS A 76 11.814 0.865 0.301 1.00 0.00 C ATOM 1139 O HIS A 76 10.816 0.150 0.385 1.00 0.00 O ATOM 1140 CB HIS A 76 13.612 0.411 -1.447 1.00 0.00 C ATOM 1141 CG HIS A 76 14.948 -0.216 -1.769 1.00 0.00 C ATOM 1142 ND1 HIS A 76 16.150 0.314 -1.334 1.00 0.00 N ATOM 1143 CD2 HIS A 76 15.257 -1.334 -2.486 1.00 0.00 C ATOM 1144 CE1 HIS A 76 17.132 -0.457 -1.775 1.00 0.00 C ATOM 1145 NE2 HIS A 76 16.577 -1.478 -2.490 1.00 0.00 N ATOM 0 H HIS A 76 12.724 -1.774 -0.258 1.00 0.00 H new ATOM 0 HA HIS A 76 13.920 0.799 0.607 1.00 0.00 H new ATOM 0 HB2 HIS A 76 12.850 -0.034 -2.087 1.00 0.00 H new ATOM 0 HB3 HIS A 76 13.653 1.473 -1.690 1.00 0.00 H new ATOM 0 HD2 HIS A 76 14.548 -1.991 -2.969 1.00 0.00 H new ATOM 0 HE1 HIS A 76 18.187 -0.305 -1.600 1.00 0.00 H new ATOM 0 HE2 HIS A 76 17.091 -2.228 -2.952 1.00 0.00 H new ATOM 1153 N TYR A 77 11.807 2.182 0.443 1.00 0.00 N ATOM 1154 CA TYR A 77 10.573 2.898 0.719 1.00 0.00 C ATOM 1155 C TYR A 77 10.167 3.769 -0.472 1.00 0.00 C ATOM 1156 O TYR A 77 10.759 4.821 -0.707 1.00 0.00 O ATOM 1157 CB TYR A 77 10.869 3.801 1.918 1.00 0.00 C ATOM 1158 CG TYR A 77 9.775 4.832 2.205 1.00 0.00 C ATOM 1159 CD1 TYR A 77 8.455 4.435 2.279 1.00 0.00 C ATOM 1160 CD2 TYR A 77 10.108 6.158 2.391 1.00 0.00 C ATOM 1161 CE1 TYR A 77 7.426 5.405 2.550 1.00 0.00 C ATOM 1162 CE2 TYR A 77 9.079 7.128 2.661 1.00 0.00 C ATOM 1163 CZ TYR A 77 7.789 6.704 2.728 1.00 0.00 C ATOM 1164 OH TYR A 77 6.817 7.620 2.983 1.00 0.00 O ATOM 0 H TYR A 77 12.636 2.772 0.372 1.00 0.00 H new ATOM 0 HA TYR A 77 9.759 2.200 0.912 1.00 0.00 H new ATOM 0 HB2 TYR A 77 11.009 3.179 2.802 1.00 0.00 H new ATOM 0 HB3 TYR A 77 11.810 4.323 1.743 1.00 0.00 H new ATOM 0 HD1 TYR A 77 8.194 3.397 2.134 1.00 0.00 H new ATOM 0 HD2 TYR A 77 11.141 6.468 2.334 1.00 0.00 H new ATOM 0 HE1 TYR A 77 6.389 5.108 2.611 1.00 0.00 H new ATOM 0 HE2 TYR A 77 9.326 8.169 2.807 1.00 0.00 H new ATOM 0 HH TYR A 77 7.222 8.506 3.089 1.00 0.00 H new ATOM 1174 N CYS A 78 9.159 3.298 -1.192 1.00 0.00 N ATOM 1175 CA CYS A 78 8.667 4.020 -2.353 1.00 0.00 C ATOM 1176 C CYS A 78 8.130 5.374 -1.884 1.00 0.00 C ATOM 1177 O CYS A 78 8.693 6.417 -2.213 1.00 0.00 O ATOM 1178 CB CYS A 78 7.607 3.218 -3.111 1.00 0.00 C ATOM 1179 SG CYS A 78 8.234 1.537 -3.472 1.00 0.00 S ATOM 0 H CYS A 78 8.670 2.425 -0.994 1.00 0.00 H new ATOM 0 HA CYS A 78 9.483 4.178 -3.059 1.00 0.00 H new ATOM 0 HB2 CYS A 78 6.694 3.155 -2.519 1.00 0.00 H new ATOM 0 HB3 CYS A 78 7.350 3.727 -4.040 1.00 0.00 H new ATOM 0 HG CYS A 78 7.926 0.739 -2.493 1.00 0.00 H new ATOM 1185 N GLY A 79 7.047 5.314 -1.123 1.00 0.00 N ATOM 1186 CA GLY A 79 6.428 6.522 -0.606 1.00 0.00 C ATOM 1187 C GLY A 79 4.991 6.253 -0.156 1.00 0.00 C ATOM 1188 O GLY A 79 4.630 5.113 0.131 1.00 0.00 O ATOM 0 H GLY A 79 6.582 4.447 -0.852 1.00 0.00 H new ATOM 0 HA2 GLY A 79 7.010 6.903 0.233 1.00 0.00 H new ATOM 0 HA3 GLY A 79 6.433 7.295 -1.374 1.00 0.00 H new ATOM 1192 N ASP A 80 4.209 7.322 -0.111 1.00 0.00 N ATOM 1193 CA ASP A 80 2.819 7.215 0.299 1.00 0.00 C ATOM 1194 C ASP A 80 1.918 7.366 -0.929 1.00 0.00 C ATOM 1195 O ASP A 80 2.391 7.702 -2.013 1.00 0.00 O ATOM 1196 CB ASP A 80 2.451 8.318 1.294 1.00 0.00 C ATOM 1197 CG ASP A 80 2.269 9.708 0.680 1.00 0.00 C ATOM 1198 OD1 ASP A 80 3.262 10.212 0.112 1.00 0.00 O ATOM 1199 OD2 ASP A 80 1.141 10.235 0.794 1.00 0.00 O ATOM 0 H ASP A 80 4.511 8.266 -0.352 1.00 0.00 H new ATOM 0 HA ASP A 80 2.680 6.243 0.772 1.00 0.00 H new ATOM 0 HB2 ASP A 80 1.527 8.037 1.800 1.00 0.00 H new ATOM 0 HB3 ASP A 80 3.228 8.373 2.056 1.00 0.00 H new ATOM 1204 N TYR A 81 0.635 7.111 -0.716 1.00 0.00 N ATOM 1205 CA TYR A 81 -0.337 7.214 -1.791 1.00 0.00 C ATOM 1206 C TYR A 81 -0.102 8.476 -2.623 1.00 0.00 C ATOM 1207 O TYR A 81 -0.148 8.432 -3.851 1.00 0.00 O ATOM 1208 CB TYR A 81 -1.706 7.310 -1.115 1.00 0.00 C ATOM 1209 CG TYR A 81 -2.863 7.561 -2.084 1.00 0.00 C ATOM 1210 CD1 TYR A 81 -3.154 8.847 -2.492 1.00 0.00 C ATOM 1211 CD2 TYR A 81 -3.614 6.502 -2.551 1.00 0.00 C ATOM 1212 CE1 TYR A 81 -4.243 9.083 -3.404 1.00 0.00 C ATOM 1213 CE2 TYR A 81 -4.703 6.738 -3.463 1.00 0.00 C ATOM 1214 CZ TYR A 81 -4.964 8.017 -3.845 1.00 0.00 C ATOM 1215 OH TYR A 81 -5.992 8.240 -4.706 1.00 0.00 O ATOM 0 H TYR A 81 0.246 6.833 0.185 1.00 0.00 H new ATOM 0 HA TYR A 81 -0.261 6.357 -2.460 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -1.896 6.385 -0.570 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -1.681 8.114 -0.379 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -2.565 9.676 -2.127 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -3.385 5.496 -2.232 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -4.482 10.084 -3.731 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -5.299 5.918 -3.835 1.00 0.00 H new ATOM 0 HH TYR A 81 -6.752 7.672 -4.462 1.00 0.00 H new ATOM 1225 N GLU A 82 0.143 9.572 -1.920 1.00 0.00 N ATOM 1226 CA GLU A 82 0.385 10.845 -2.578 1.00 0.00 C ATOM 1227 C GLU A 82 1.465 10.691 -3.650 1.00 0.00 C ATOM 1228 O GLU A 82 1.205 10.905 -4.833 1.00 0.00 O ATOM 1229 CB GLU A 82 0.770 11.923 -1.562 1.00 0.00 C ATOM 1230 CG GLU A 82 -0.417 12.280 -0.666 1.00 0.00 C ATOM 1231 CD GLU A 82 -0.671 13.789 -0.668 1.00 0.00 C ATOM 1232 OE1 GLU A 82 -1.408 14.239 -1.572 1.00 0.00 O ATOM 1233 OE2 GLU A 82 -0.123 14.458 0.235 1.00 0.00 O ATOM 0 H GLU A 82 0.179 9.605 -0.901 1.00 0.00 H new ATOM 0 HA GLU A 82 -0.538 11.163 -3.063 1.00 0.00 H new ATOM 0 HB2 GLU A 82 1.600 11.571 -0.949 1.00 0.00 H new ATOM 0 HB3 GLU A 82 1.116 12.814 -2.085 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -1.309 11.757 -1.012 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -0.224 11.941 0.352 1.00 0.00 H new ATOM 1240 N LEU A 83 2.655 10.322 -3.198 1.00 0.00 N ATOM 1241 CA LEU A 83 3.775 10.138 -4.105 1.00 0.00 C ATOM 1242 C LEU A 83 3.356 9.207 -5.244 1.00 0.00 C ATOM 1243 O LEU A 83 3.630 9.486 -6.411 1.00 0.00 O ATOM 1244 CB LEU A 83 5.009 9.656 -3.339 1.00 0.00 C ATOM 1245 CG LEU A 83 6.098 10.702 -3.096 1.00 0.00 C ATOM 1246 CD1 LEU A 83 5.533 11.922 -2.366 1.00 0.00 C ATOM 1247 CD2 LEU A 83 7.290 10.092 -2.354 1.00 0.00 C ATOM 0 H LEU A 83 2.868 10.146 -2.216 1.00 0.00 H new ATOM 0 HA LEU A 83 4.059 11.088 -4.558 1.00 0.00 H new ATOM 0 HB2 LEU A 83 4.684 9.268 -2.374 1.00 0.00 H new ATOM 0 HB3 LEU A 83 5.449 8.822 -3.886 1.00 0.00 H new ATOM 0 HG LEU A 83 6.463 11.045 -4.064 1.00 0.00 H new ATOM 0 HD11 LEU A 83 6.328 12.650 -2.206 1.00 0.00 H new ATOM 0 HD12 LEU A 83 4.744 12.373 -2.968 1.00 0.00 H new ATOM 0 HD13 LEU A 83 5.124 11.613 -1.404 1.00 0.00 H new ATOM 0 HD21 LEU A 83 8.050 10.857 -2.194 1.00 0.00 H new ATOM 0 HD22 LEU A 83 6.959 9.703 -1.391 1.00 0.00 H new ATOM 0 HD23 LEU A 83 7.712 9.281 -2.948 1.00 0.00 H new ATOM 1259 N PHE A 84 2.699 8.120 -4.866 1.00 0.00 N ATOM 1260 CA PHE A 84 2.239 7.146 -5.842 1.00 0.00 C ATOM 1261 C PHE A 84 1.399 7.816 -6.932 1.00 0.00 C ATOM 1262 O PHE A 84 1.682 7.666 -8.119 1.00 0.00 O ATOM 1263 CB PHE A 84 1.368 6.138 -5.091 1.00 0.00 C ATOM 1264 CG PHE A 84 1.176 4.811 -5.829 1.00 0.00 C ATOM 1265 CD1 PHE A 84 2.197 3.915 -5.895 1.00 0.00 C ATOM 1266 CD2 PHE A 84 -0.017 4.528 -6.419 1.00 0.00 C ATOM 1267 CE1 PHE A 84 2.018 2.684 -6.579 1.00 0.00 C ATOM 1268 CE2 PHE A 84 -0.195 3.297 -7.104 1.00 0.00 C ATOM 1269 CZ PHE A 84 0.826 2.401 -7.170 1.00 0.00 C ATOM 0 H PHE A 84 2.474 7.892 -3.897 1.00 0.00 H new ATOM 0 HA PHE A 84 3.093 6.668 -6.322 1.00 0.00 H new ATOM 0 HB2 PHE A 84 1.817 5.939 -4.118 1.00 0.00 H new ATOM 0 HB3 PHE A 84 0.391 6.584 -4.906 1.00 0.00 H new ATOM 0 HD1 PHE A 84 3.144 4.140 -5.427 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -0.828 5.239 -6.366 1.00 0.00 H new ATOM 0 HE1 PHE A 84 2.828 1.972 -6.630 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -1.142 3.072 -7.573 1.00 0.00 H new ATOM 0 HZ PHE A 84 0.690 1.465 -7.692 1.00 0.00 H new ATOM 1279 N VAL A 85 0.383 8.542 -6.488 1.00 0.00 N ATOM 1280 CA VAL A 85 -0.500 9.236 -7.411 1.00 0.00 C ATOM 1281 C VAL A 85 0.327 10.169 -8.297 1.00 0.00 C ATOM 1282 O VAL A 85 0.179 10.163 -9.518 1.00 0.00 O ATOM 1283 CB VAL A 85 -1.598 9.966 -6.635 1.00 0.00 C ATOM 1284 CG1 VAL A 85 -1.346 11.475 -6.618 1.00 0.00 C ATOM 1285 CG2 VAL A 85 -2.980 9.647 -7.209 1.00 0.00 C ATOM 0 H VAL A 85 0.152 8.665 -5.502 1.00 0.00 H new ATOM 0 HA VAL A 85 -1.002 8.525 -8.067 1.00 0.00 H new ATOM 0 HB VAL A 85 -1.573 9.611 -5.605 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -2.141 11.970 -6.060 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -0.387 11.678 -6.141 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -1.330 11.853 -7.640 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -3.742 10.179 -6.639 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -3.022 9.961 -8.252 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -3.162 8.574 -7.145 1.00 0.00 H new ATOM 1295 N GLU A 86 1.180 10.948 -7.648 1.00 0.00 N ATOM 1296 CA GLU A 86 2.031 11.884 -8.363 1.00 0.00 C ATOM 1297 C GLU A 86 2.717 11.187 -9.539 1.00 0.00 C ATOM 1298 O GLU A 86 2.653 11.664 -10.671 1.00 0.00 O ATOM 1299 CB GLU A 86 3.060 12.517 -7.423 1.00 0.00 C ATOM 1300 CG GLU A 86 3.328 13.974 -7.805 1.00 0.00 C ATOM 1301 CD GLU A 86 4.628 14.476 -7.172 1.00 0.00 C ATOM 1302 OE1 GLU A 86 5.673 13.848 -7.446 1.00 0.00 O ATOM 1303 OE2 GLU A 86 4.546 15.477 -6.427 1.00 0.00 O ATOM 0 H GLU A 86 1.300 10.950 -6.635 1.00 0.00 H new ATOM 0 HA GLU A 86 1.406 12.686 -8.757 1.00 0.00 H new ATOM 0 HB2 GLU A 86 2.699 12.467 -6.396 1.00 0.00 H new ATOM 0 HB3 GLU A 86 3.990 11.950 -7.462 1.00 0.00 H new ATOM 0 HG2 GLU A 86 3.389 14.064 -8.890 1.00 0.00 H new ATOM 0 HG3 GLU A 86 2.496 14.598 -7.479 1.00 0.00 H new ATOM 1310 N ALA A 87 3.358 10.070 -9.230 1.00 0.00 N ATOM 1311 CA ALA A 87 4.056 9.302 -10.248 1.00 0.00 C ATOM 1312 C ALA A 87 3.042 8.762 -11.258 1.00 0.00 C ATOM 1313 O ALA A 87 3.127 9.062 -12.449 1.00 0.00 O ATOM 1314 CB ALA A 87 4.865 8.187 -9.582 1.00 0.00 C ATOM 0 H ALA A 87 3.409 9.678 -8.290 1.00 0.00 H new ATOM 0 HA ALA A 87 4.758 9.935 -10.791 1.00 0.00 H new ATOM 0 HB1 ALA A 87 5.388 7.611 -10.345 1.00 0.00 H new ATOM 0 HB2 ALA A 87 5.591 8.624 -8.896 1.00 0.00 H new ATOM 0 HB3 ALA A 87 4.193 7.530 -9.029 1.00 0.00 H new ATOM 1320 N VAL A 88 2.106 7.977 -10.747 1.00 0.00 N ATOM 1321 CA VAL A 88 1.077 7.393 -11.590 1.00 0.00 C ATOM 1322 C VAL A 88 0.584 8.443 -12.588 1.00 0.00 C ATOM 1323 O VAL A 88 0.472 8.166 -13.781 1.00 0.00 O ATOM 1324 CB VAL A 88 -0.046 6.819 -10.724 1.00 0.00 C ATOM 1325 CG1 VAL A 88 -1.313 6.586 -11.550 1.00 0.00 C ATOM 1326 CG2 VAL A 88 0.400 5.530 -10.031 1.00 0.00 C ATOM 0 H VAL A 88 2.038 7.731 -9.759 1.00 0.00 H new ATOM 0 HA VAL A 88 1.483 6.562 -12.166 1.00 0.00 H new ATOM 0 HB VAL A 88 -0.280 7.552 -9.952 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -2.095 6.178 -10.910 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -1.649 7.532 -11.975 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -1.099 5.882 -12.354 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -0.417 5.143 -9.422 1.00 0.00 H new ATOM 0 HG22 VAL A 88 0.675 4.789 -10.782 1.00 0.00 H new ATOM 0 HG23 VAL A 88 1.260 5.738 -9.395 1.00 0.00 H new ATOM 1336 N GLU A 89 0.304 9.626 -12.063 1.00 0.00 N ATOM 1337 CA GLU A 89 -0.174 10.719 -12.893 1.00 0.00 C ATOM 1338 C GLU A 89 0.861 11.062 -13.967 1.00 0.00 C ATOM 1339 O GLU A 89 0.563 11.010 -15.159 1.00 0.00 O ATOM 1340 CB GLU A 89 -0.509 11.947 -12.043 1.00 0.00 C ATOM 1341 CG GLU A 89 -1.727 11.683 -11.155 1.00 0.00 C ATOM 1342 CD GLU A 89 -2.877 12.629 -11.507 1.00 0.00 C ATOM 1343 OE1 GLU A 89 -2.678 13.851 -11.336 1.00 0.00 O ATOM 1344 OE2 GLU A 89 -3.928 12.109 -11.938 1.00 0.00 O ATOM 0 H GLU A 89 0.399 9.852 -11.073 1.00 0.00 H new ATOM 0 HA GLU A 89 -1.091 10.399 -13.388 1.00 0.00 H new ATOM 0 HB2 GLU A 89 0.348 12.209 -11.423 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -0.706 12.800 -12.692 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -2.052 10.649 -11.275 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -1.453 11.812 -10.108 1.00 0.00 H new ATOM 1351 N GLN A 90 2.054 11.404 -13.505 1.00 0.00 N ATOM 1352 CA GLN A 90 3.135 11.755 -14.412 1.00 0.00 C ATOM 1353 C GLN A 90 3.479 10.567 -15.312 1.00 0.00 C ATOM 1354 O GLN A 90 4.181 10.723 -16.310 1.00 0.00 O ATOM 1355 CB GLN A 90 4.366 12.232 -13.639 1.00 0.00 C ATOM 1356 CG GLN A 90 4.088 13.559 -12.929 1.00 0.00 C ATOM 1357 CD GLN A 90 3.865 14.685 -13.941 1.00 0.00 C ATOM 1358 OE1 GLN A 90 4.482 14.741 -14.992 1.00 0.00 O ATOM 1359 NE2 GLN A 90 2.952 15.577 -13.566 1.00 0.00 N ATOM 0 H GLN A 90 2.297 11.446 -12.515 1.00 0.00 H new ATOM 0 HA GLN A 90 2.801 12.579 -15.043 1.00 0.00 H new ATOM 0 HB2 GLN A 90 4.655 11.478 -12.907 1.00 0.00 H new ATOM 0 HB3 GLN A 90 5.206 12.351 -14.323 1.00 0.00 H new ATOM 0 HG2 GLN A 90 3.209 13.458 -12.292 1.00 0.00 H new ATOM 0 HG3 GLN A 90 4.926 13.810 -12.278 1.00 0.00 H new ATOM 0 HE21 GLN A 90 2.472 15.471 -12.672 1.00 0.00 H new ATOM 0 HE22 GLN A 90 2.732 16.367 -14.172 1.00 0.00 H new ATOM 1368 N ASP A 91 2.969 9.406 -14.927 1.00 0.00 N ATOM 1369 CA ASP A 91 3.214 8.192 -15.687 1.00 0.00 C ATOM 1370 C ASP A 91 4.593 7.638 -15.325 1.00 0.00 C ATOM 1371 O ASP A 91 5.095 6.731 -15.987 1.00 0.00 O ATOM 1372 CB ASP A 91 3.196 8.472 -17.192 1.00 0.00 C ATOM 1373 CG ASP A 91 2.684 7.319 -18.057 1.00 0.00 C ATOM 1374 OD1 ASP A 91 3.416 6.310 -18.150 1.00 0.00 O ATOM 1375 OD2 ASP A 91 1.572 7.473 -18.607 1.00 0.00 O ATOM 0 H ASP A 91 2.387 9.280 -14.099 1.00 0.00 H new ATOM 0 HA ASP A 91 2.428 7.477 -15.444 1.00 0.00 H new ATOM 0 HB2 ASP A 91 2.575 9.348 -17.376 1.00 0.00 H new ATOM 0 HB3 ASP A 91 4.207 8.725 -17.512 1.00 0.00 H new ATOM 1380 N THR A 92 5.167 8.208 -14.276 1.00 0.00 N ATOM 1381 CA THR A 92 6.479 7.782 -13.818 1.00 0.00 C ATOM 1382 C THR A 92 6.350 6.903 -12.573 1.00 0.00 C ATOM 1383 O THR A 92 7.065 7.100 -11.592 1.00 0.00 O ATOM 1384 CB THR A 92 7.330 9.034 -13.592 1.00 0.00 C ATOM 1385 OG1 THR A 92 6.528 9.851 -12.744 1.00 0.00 O ATOM 1386 CG2 THR A 92 7.495 9.867 -14.864 1.00 0.00 C ATOM 0 H THR A 92 4.748 8.961 -13.730 1.00 0.00 H new ATOM 0 HA THR A 92 6.977 7.163 -14.564 1.00 0.00 H new ATOM 0 HB THR A 92 8.312 8.743 -13.219 1.00 0.00 H new ATOM 0 HG1 THR A 92 7.005 10.684 -12.546 1.00 0.00 H new ATOM 0 HG21 THR A 92 8.107 10.743 -14.648 1.00 0.00 H new ATOM 0 HG22 THR A 92 7.981 9.265 -15.632 1.00 0.00 H new ATOM 0 HG23 THR A 92 6.515 10.187 -15.219 1.00 0.00 H new ATOM 1394 N LEU A 93 5.432 5.950 -12.653 1.00 0.00 N ATOM 1395 CA LEU A 93 5.200 5.040 -11.545 1.00 0.00 C ATOM 1396 C LEU A 93 6.351 4.036 -11.465 1.00 0.00 C ATOM 1397 O LEU A 93 6.679 3.545 -10.386 1.00 0.00 O ATOM 1398 CB LEU A 93 3.822 4.387 -11.668 1.00 0.00 C ATOM 1399 CG LEU A 93 3.431 3.428 -10.541 1.00 0.00 C ATOM 1400 CD1 LEU A 93 3.107 4.193 -9.257 1.00 0.00 C ATOM 1401 CD2 LEU A 93 2.279 2.517 -10.972 1.00 0.00 C ATOM 0 H LEU A 93 4.841 5.789 -13.468 1.00 0.00 H new ATOM 0 HA LEU A 93 5.186 5.585 -10.601 1.00 0.00 H new ATOM 0 HB2 LEU A 93 3.072 5.176 -11.724 1.00 0.00 H new ATOM 0 HB3 LEU A 93 3.783 3.843 -12.611 1.00 0.00 H new ATOM 0 HG LEU A 93 4.286 2.787 -10.326 1.00 0.00 H new ATOM 0 HD11 LEU A 93 2.832 3.488 -8.473 1.00 0.00 H new ATOM 0 HD12 LEU A 93 3.981 4.763 -8.943 1.00 0.00 H new ATOM 0 HD13 LEU A 93 2.276 4.874 -9.439 1.00 0.00 H new ATOM 0 HD21 LEU A 93 2.020 1.845 -10.153 1.00 0.00 H new ATOM 0 HD22 LEU A 93 1.412 3.125 -11.231 1.00 0.00 H new ATOM 0 HD23 LEU A 93 2.583 1.931 -11.839 1.00 0.00 H new ATOM 1413 N GLN A 94 6.934 3.759 -12.623 1.00 0.00 N ATOM 1414 CA GLN A 94 8.042 2.823 -12.698 1.00 0.00 C ATOM 1415 C GLN A 94 9.292 3.425 -12.052 1.00 0.00 C ATOM 1416 O GLN A 94 10.088 2.710 -11.446 1.00 0.00 O ATOM 1417 CB GLN A 94 8.317 2.413 -14.146 1.00 0.00 C ATOM 1418 CG GLN A 94 7.370 1.297 -14.590 1.00 0.00 C ATOM 1419 CD GLN A 94 6.731 1.624 -15.941 1.00 0.00 C ATOM 1420 OE1 GLN A 94 6.806 2.735 -16.439 1.00 0.00 O ATOM 1421 NE2 GLN A 94 6.101 0.597 -16.505 1.00 0.00 N ATOM 0 H GLN A 94 6.659 4.167 -13.517 1.00 0.00 H new ATOM 0 HA GLN A 94 7.769 1.924 -12.146 1.00 0.00 H new ATOM 0 HB2 GLN A 94 8.199 3.276 -14.801 1.00 0.00 H new ATOM 0 HB3 GLN A 94 9.350 2.078 -14.243 1.00 0.00 H new ATOM 0 HG2 GLN A 94 7.918 0.357 -14.661 1.00 0.00 H new ATOM 0 HG3 GLN A 94 6.591 1.156 -13.840 1.00 0.00 H new ATOM 0 HE21 GLN A 94 6.076 -0.307 -16.034 1.00 0.00 H new ATOM 0 HE22 GLN A 94 5.643 0.714 -17.409 1.00 0.00 H new ATOM 1430 N GLU A 95 9.424 4.735 -12.203 1.00 0.00 N ATOM 1431 CA GLU A 95 10.563 5.441 -11.642 1.00 0.00 C ATOM 1432 C GLU A 95 10.450 5.504 -10.118 1.00 0.00 C ATOM 1433 O GLU A 95 11.375 5.112 -9.407 1.00 0.00 O ATOM 1434 CB GLU A 95 10.687 6.844 -12.241 1.00 0.00 C ATOM 1435 CG GLU A 95 11.725 6.871 -13.364 1.00 0.00 C ATOM 1436 CD GLU A 95 11.335 7.878 -14.448 1.00 0.00 C ATOM 1437 OE1 GLU A 95 10.869 8.973 -14.064 1.00 0.00 O ATOM 1438 OE2 GLU A 95 11.511 7.531 -15.636 1.00 0.00 O ATOM 0 H GLU A 95 8.761 5.325 -12.706 1.00 0.00 H new ATOM 0 HA GLU A 95 11.469 4.891 -11.897 1.00 0.00 H new ATOM 0 HB2 GLU A 95 9.720 7.165 -12.627 1.00 0.00 H new ATOM 0 HB3 GLU A 95 10.970 7.552 -11.462 1.00 0.00 H new ATOM 0 HG2 GLU A 95 12.701 7.131 -12.955 1.00 0.00 H new ATOM 0 HG3 GLU A 95 11.818 5.877 -13.802 1.00 0.00 H new ATOM 1445 N PHE A 96 9.310 6.000 -9.660 1.00 0.00 N ATOM 1446 CA PHE A 96 9.065 6.119 -8.233 1.00 0.00 C ATOM 1447 C PHE A 96 9.441 4.828 -7.503 1.00 0.00 C ATOM 1448 O PHE A 96 10.208 4.855 -6.542 1.00 0.00 O ATOM 1449 CB PHE A 96 7.567 6.373 -8.057 1.00 0.00 C ATOM 1450 CG PHE A 96 7.092 6.310 -6.603 1.00 0.00 C ATOM 1451 CD1 PHE A 96 7.618 7.156 -5.679 1.00 0.00 C ATOM 1452 CD2 PHE A 96 6.143 5.406 -6.237 1.00 0.00 C ATOM 1453 CE1 PHE A 96 7.177 7.098 -4.330 1.00 0.00 C ATOM 1454 CE2 PHE A 96 5.703 5.348 -4.888 1.00 0.00 C ATOM 1455 CZ PHE A 96 6.229 6.195 -3.963 1.00 0.00 C ATOM 0 H PHE A 96 8.546 6.324 -10.252 1.00 0.00 H new ATOM 0 HA PHE A 96 9.666 6.928 -7.818 1.00 0.00 H new ATOM 0 HB2 PHE A 96 7.325 7.354 -8.466 1.00 0.00 H new ATOM 0 HB3 PHE A 96 7.013 5.639 -8.642 1.00 0.00 H new ATOM 0 HD1 PHE A 96 8.372 7.873 -5.970 1.00 0.00 H new ATOM 0 HD2 PHE A 96 5.725 4.734 -6.971 1.00 0.00 H new ATOM 0 HE1 PHE A 96 7.595 7.771 -3.596 1.00 0.00 H new ATOM 0 HE2 PHE A 96 4.950 4.631 -4.596 1.00 0.00 H new ATOM 0 HZ PHE A 96 5.894 6.150 -2.937 1.00 0.00 H new ATOM 1465 N LEU A 97 8.882 3.728 -7.987 1.00 0.00 N ATOM 1466 CA LEU A 97 9.149 2.429 -7.392 1.00 0.00 C ATOM 1467 C LEU A 97 10.570 1.990 -7.752 1.00 0.00 C ATOM 1468 O LEU A 97 11.297 2.720 -8.424 1.00 0.00 O ATOM 1469 CB LEU A 97 8.072 1.422 -7.800 1.00 0.00 C ATOM 1470 CG LEU A 97 6.625 1.907 -7.692 1.00 0.00 C ATOM 1471 CD1 LEU A 97 5.678 0.982 -8.460 1.00 0.00 C ATOM 1472 CD2 LEU A 97 6.207 2.067 -6.229 1.00 0.00 C ATOM 0 H LEU A 97 8.246 3.710 -8.784 1.00 0.00 H new ATOM 0 HA LEU A 97 9.100 2.490 -6.305 1.00 0.00 H new ATOM 0 HB2 LEU A 97 8.257 1.120 -8.831 1.00 0.00 H new ATOM 0 HB3 LEU A 97 8.183 0.531 -7.182 1.00 0.00 H new ATOM 0 HG LEU A 97 6.560 2.892 -8.155 1.00 0.00 H new ATOM 0 HD11 LEU A 97 4.656 1.349 -8.367 1.00 0.00 H new ATOM 0 HD12 LEU A 97 5.962 0.962 -9.512 1.00 0.00 H new ATOM 0 HD13 LEU A 97 5.740 -0.025 -8.049 1.00 0.00 H new ATOM 0 HD21 LEU A 97 5.174 2.413 -6.181 1.00 0.00 H new ATOM 0 HD22 LEU A 97 6.292 1.107 -5.719 1.00 0.00 H new ATOM 0 HD23 LEU A 97 6.856 2.795 -5.743 1.00 0.00 H new ATOM 1484 N LYS A 98 10.922 0.800 -7.290 1.00 0.00 N ATOM 1485 CA LYS A 98 12.243 0.255 -7.555 1.00 0.00 C ATOM 1486 C LYS A 98 12.176 -0.658 -8.781 1.00 0.00 C ATOM 1487 O LYS A 98 12.656 -1.790 -8.743 1.00 0.00 O ATOM 1488 CB LYS A 98 12.800 -0.431 -6.306 1.00 0.00 C ATOM 1489 CG LYS A 98 14.277 -0.087 -6.104 1.00 0.00 C ATOM 1490 CD LYS A 98 14.438 1.321 -5.527 1.00 0.00 C ATOM 1491 CE LYS A 98 15.895 1.596 -5.152 1.00 0.00 C ATOM 1492 NZ LYS A 98 16.506 2.546 -6.108 1.00 0.00 N ATOM 0 H LYS A 98 10.316 0.197 -6.734 1.00 0.00 H new ATOM 0 HA LYS A 98 12.945 1.055 -7.791 1.00 0.00 H new ATOM 0 HB2 LYS A 98 12.228 -0.122 -5.431 1.00 0.00 H new ATOM 0 HB3 LYS A 98 12.684 -1.511 -6.397 1.00 0.00 H new ATOM 0 HG2 LYS A 98 14.735 -0.814 -5.433 1.00 0.00 H new ATOM 0 HG3 LYS A 98 14.804 -0.156 -7.056 1.00 0.00 H new ATOM 0 HD2 LYS A 98 14.101 2.058 -6.256 1.00 0.00 H new ATOM 0 HD3 LYS A 98 13.805 1.432 -4.647 1.00 0.00 H new ATOM 0 HE2 LYS A 98 15.946 2.004 -4.142 1.00 0.00 H new ATOM 0 HE3 LYS A 98 16.458 0.663 -5.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 17.495 2.722 -5.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 16.474 2.143 -7.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 15.979 3.442 -6.092 1.00 0.00 H new ATOM 1506 N LEU A 99 11.577 -0.132 -9.839 1.00 0.00 N ATOM 1507 CA LEU A 99 11.442 -0.886 -11.074 1.00 0.00 C ATOM 1508 C LEU A 99 12.493 -0.407 -12.077 1.00 0.00 C ATOM 1509 O LEU A 99 13.196 -1.217 -12.679 1.00 0.00 O ATOM 1510 CB LEU A 99 10.007 -0.801 -11.599 1.00 0.00 C ATOM 1511 CG LEU A 99 8.929 -1.419 -10.706 1.00 0.00 C ATOM 1512 CD1 LEU A 99 7.571 -1.423 -11.410 1.00 0.00 C ATOM 1513 CD2 LEU A 99 9.338 -2.818 -10.241 1.00 0.00 C ATOM 0 H LEU A 99 11.180 0.807 -9.867 1.00 0.00 H new ATOM 0 HA LEU A 99 11.630 -1.945 -10.896 1.00 0.00 H new ATOM 0 HB2 LEU A 99 9.761 0.249 -11.758 1.00 0.00 H new ATOM 0 HB3 LEU A 99 9.968 -1.289 -12.573 1.00 0.00 H new ATOM 0 HG LEU A 99 8.828 -0.800 -9.814 1.00 0.00 H new ATOM 0 HD11 LEU A 99 6.822 -1.867 -10.754 1.00 0.00 H new ATOM 0 HD12 LEU A 99 7.282 -0.400 -11.649 1.00 0.00 H new ATOM 0 HD13 LEU A 99 7.639 -2.005 -12.329 1.00 0.00 H new ATOM 0 HD21 LEU A 99 8.555 -3.235 -9.608 1.00 0.00 H new ATOM 0 HD22 LEU A 99 9.484 -3.462 -11.109 1.00 0.00 H new ATOM 0 HD23 LEU A 99 10.267 -2.756 -9.675 1.00 0.00 H new ATOM 1525 N ALA A 100 12.567 0.908 -12.225 1.00 0.00 N ATOM 1526 CA ALA A 100 13.521 1.505 -13.145 1.00 0.00 C ATOM 1527 C ALA A 100 13.855 2.922 -12.677 1.00 0.00 C ATOM 1528 O ALA A 100 14.662 3.611 -13.300 1.00 0.00 O ATOM 1529 CB ALA A 100 12.947 1.479 -14.563 1.00 0.00 C ATOM 0 H ALA A 100 11.982 1.577 -11.724 1.00 0.00 H new ATOM 0 HA ALA A 100 14.450 0.935 -13.159 1.00 0.00 H new ATOM 0 HB1 ALA A 100 13.662 1.927 -15.253 1.00 0.00 H new ATOM 0 HB2 ALA A 100 12.754 0.448 -14.859 1.00 0.00 H new ATOM 0 HB3 ALA A 100 12.015 2.044 -14.589 1.00 0.00 H new TER 1535 ALA A 100