USER MOD reduce.3.24.130724 H: found=0, std=0, add=946, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 944 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 60 HIS : no HD1:sc= -2.26 X(o=-2,f=-1.8) USER MOD Set 1.2: A 62 LYS NZ :NH3+ 173:sc= 0.234 (180deg=0) USER MOD Set 2.1: A 37 CYS SG : rot 120:sc= 0.316 USER MOD Set 2.2: A 43 THR OG1 : rot -86:sc= 0.297 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.031 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ -159:sc= -0.122 (180deg=-1.01) USER MOD Single : A 33 ASN : amide:sc= -0.0205 K(o=-0.021,f=-1.1) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.00794 USER MOD Single : A 40 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0562) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= -0.712 USER MOD Single : A 44 GLN : amide:sc= -1.6 X(o=-1.6,f=-1.3!) USER MOD Single : A 45 LYS NZ :NH3+ 161:sc= -0.0528 (180deg=-0.363) USER MOD Single : A 51 ASN : amide:sc= -1.2 K(o=-1.2,f=-4.6!) USER MOD Single : A 54 ASN : amide:sc= -1.75 K(o=-1.7,f=-13!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -1! C(o=-1!,f=-1!) USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.0651 USER MOD Single : A 64 CYS SG : rot 180:sc= -0.0353 USER MOD Single : A 68 SER OG : rot 0:sc= 0.38 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -0.017 X(o=-0.017,f=-0.22) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 MET CE :methyl -140:sc= -2.01 (180deg=-5.65!) USER MOD Single : A 83 GLN :FLIP amide:sc= -0.295 F(o=-2.6!,f=-0.3) USER MOD Single : A 91 GLN :FLIP amide:sc= -1.42 F(o=-2!,f=-1.4) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 96 HIS : no HD1:sc= 1.13 K(o=1.1,f=-3.6!) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 103 CYS SG : rot 180:sc= 0 USER MOD Single : A 104 TYR OH : rot 150:sc= -0.108 USER MOD Single : A 106 THR OG1 : rot 180:sc= -0.199 USER MOD Single : A 109 LYS NZ :NH3+ -116:sc= -0.026 (180deg=-0.366) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : A 121 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 122 ASN :FLIP amide:sc= 0.717 F(o=-1.4,f=0.72) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -22.965 -20.057 -36.837 1.00 0.00 N ATOM 2 CA GLY A 1 -22.480 -19.377 -35.650 1.00 0.00 C ATOM 3 C GLY A 1 -23.604 -18.800 -34.813 1.00 0.00 C ATOM 4 O GLY A 1 -24.492 -18.125 -35.334 1.00 0.00 O ATOM 0 H1 GLY A 1 -22.159 -20.434 -37.375 1.00 0.00 H new ATOM 0 H2 GLY A 1 -23.591 -20.839 -36.558 1.00 0.00 H new ATOM 0 H3 GLY A 1 -23.494 -19.386 -37.430 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -21.902 -20.076 -35.045 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -21.803 -18.576 -35.945 1.00 0.00 H new ATOM 8 N SER A 2 -23.568 -19.068 -33.511 1.00 0.00 N ATOM 9 CA SER A 2 -24.595 -18.575 -32.601 1.00 0.00 C ATOM 10 C SER A 2 -23.968 -17.810 -31.439 1.00 0.00 C ATOM 11 O SER A 2 -22.763 -17.892 -31.205 1.00 0.00 O ATOM 12 CB SER A 2 -25.434 -19.737 -32.067 1.00 0.00 C ATOM 13 OG SER A 2 -24.675 -20.557 -31.196 1.00 0.00 O ATOM 0 H SER A 2 -22.839 -19.623 -33.063 1.00 0.00 H new ATOM 0 HA SER A 2 -25.241 -17.895 -33.156 1.00 0.00 H new ATOM 0 HB2 SER A 2 -26.305 -19.348 -31.539 1.00 0.00 H new ATOM 0 HB3 SER A 2 -25.807 -20.333 -32.900 1.00 0.00 H new ATOM 0 HG SER A 2 -25.235 -21.291 -30.867 1.00 0.00 H new ATOM 19 N SER A 3 -24.797 -17.066 -30.713 1.00 0.00 N ATOM 20 CA SER A 3 -24.326 -16.283 -29.577 1.00 0.00 C ATOM 21 C SER A 3 -25.344 -16.305 -28.441 1.00 0.00 C ATOM 22 O SER A 3 -26.552 -16.321 -28.675 1.00 0.00 O ATOM 23 CB SER A 3 -24.052 -14.840 -30.004 1.00 0.00 C ATOM 24 OG SER A 3 -23.417 -14.112 -28.967 1.00 0.00 O ATOM 0 H SER A 3 -25.798 -16.989 -30.892 1.00 0.00 H new ATOM 0 HA SER A 3 -23.399 -16.731 -29.219 1.00 0.00 H new ATOM 0 HB2 SER A 3 -23.423 -14.834 -30.894 1.00 0.00 H new ATOM 0 HB3 SER A 3 -24.989 -14.353 -30.273 1.00 0.00 H new ATOM 0 HG SER A 3 -23.251 -13.194 -29.266 1.00 0.00 H new ATOM 30 N GLY A 4 -24.847 -16.306 -27.208 1.00 0.00 N ATOM 31 CA GLY A 4 -25.726 -16.327 -26.053 1.00 0.00 C ATOM 32 C GLY A 4 -25.812 -14.978 -25.367 1.00 0.00 C ATOM 33 O GLY A 4 -25.737 -13.936 -26.018 1.00 0.00 O ATOM 0 H GLY A 4 -23.851 -16.293 -26.988 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -26.723 -16.637 -26.365 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -25.369 -17.071 -25.341 1.00 0.00 H new ATOM 37 N SER A 5 -25.971 -14.997 -24.047 1.00 0.00 N ATOM 38 CA SER A 5 -26.074 -13.766 -23.272 1.00 0.00 C ATOM 39 C SER A 5 -24.890 -13.624 -22.319 1.00 0.00 C ATOM 40 O SER A 5 -24.244 -14.609 -21.964 1.00 0.00 O ATOM 41 CB SER A 5 -27.384 -13.743 -22.483 1.00 0.00 C ATOM 42 OG SER A 5 -28.463 -13.318 -23.298 1.00 0.00 O ATOM 0 H SER A 5 -26.031 -15.851 -23.492 1.00 0.00 H new ATOM 0 HA SER A 5 -26.062 -12.926 -23.967 1.00 0.00 H new ATOM 0 HB2 SER A 5 -27.592 -14.738 -22.088 1.00 0.00 H new ATOM 0 HB3 SER A 5 -27.285 -13.075 -21.627 1.00 0.00 H new ATOM 0 HG SER A 5 -29.289 -13.314 -22.771 1.00 0.00 H new ATOM 48 N SER A 6 -24.614 -12.390 -21.909 1.00 0.00 N ATOM 49 CA SER A 6 -23.506 -12.117 -21.001 1.00 0.00 C ATOM 50 C SER A 6 -23.950 -12.253 -19.548 1.00 0.00 C ATOM 51 O SER A 6 -23.330 -12.970 -18.762 1.00 0.00 O ATOM 52 CB SER A 6 -22.951 -10.713 -21.247 1.00 0.00 C ATOM 53 OG SER A 6 -22.075 -10.699 -22.361 1.00 0.00 O ATOM 0 H SER A 6 -25.142 -11.564 -22.191 1.00 0.00 H new ATOM 0 HA SER A 6 -22.721 -12.849 -21.194 1.00 0.00 H new ATOM 0 HB2 SER A 6 -23.773 -10.018 -21.418 1.00 0.00 H new ATOM 0 HB3 SER A 6 -22.421 -10.367 -20.359 1.00 0.00 H new ATOM 0 HG SER A 6 -21.735 -9.790 -22.498 1.00 0.00 H new ATOM 59 N GLY A 7 -25.028 -11.559 -19.197 1.00 0.00 N ATOM 60 CA GLY A 7 -25.537 -11.615 -17.839 1.00 0.00 C ATOM 61 C GLY A 7 -26.328 -10.378 -17.465 1.00 0.00 C ATOM 62 O GLY A 7 -26.436 -9.438 -18.253 1.00 0.00 O ATOM 0 H GLY A 7 -25.558 -10.959 -19.829 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -26.171 -12.495 -17.728 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -24.704 -11.733 -17.146 1.00 0.00 H new ATOM 66 N THR A 8 -26.888 -10.377 -16.259 1.00 0.00 N ATOM 67 CA THR A 8 -27.676 -9.248 -15.783 1.00 0.00 C ATOM 68 C THR A 8 -27.548 -9.085 -14.272 1.00 0.00 C ATOM 69 O THR A 8 -27.425 -10.068 -13.542 1.00 0.00 O ATOM 70 CB THR A 8 -29.164 -9.409 -16.146 1.00 0.00 C ATOM 71 OG1 THR A 8 -29.299 -9.699 -17.541 1.00 0.00 O ATOM 72 CG2 THR A 8 -29.944 -8.147 -15.808 1.00 0.00 C ATOM 0 H THR A 8 -26.810 -11.147 -15.594 1.00 0.00 H new ATOM 0 HA THR A 8 -27.283 -8.359 -16.276 1.00 0.00 H new ATOM 0 HB THR A 8 -29.570 -10.235 -15.562 1.00 0.00 H new ATOM 0 HG1 THR A 8 -30.248 -9.801 -17.763 1.00 0.00 H new ATOM 0 HG21 THR A 8 -30.992 -8.285 -16.073 1.00 0.00 H new ATOM 0 HG22 THR A 8 -29.864 -7.945 -14.740 1.00 0.00 H new ATOM 0 HG23 THR A 8 -29.536 -7.306 -16.368 1.00 0.00 H new ATOM 80 N GLU A 9 -27.579 -7.839 -13.811 1.00 0.00 N ATOM 81 CA GLU A 9 -27.466 -7.549 -12.386 1.00 0.00 C ATOM 82 C GLU A 9 -28.822 -7.675 -11.696 1.00 0.00 C ATOM 83 O GLU A 9 -29.864 -7.428 -12.303 1.00 0.00 O ATOM 84 CB GLU A 9 -26.901 -6.144 -12.172 1.00 0.00 C ATOM 85 CG GLU A 9 -25.410 -6.040 -12.442 1.00 0.00 C ATOM 86 CD GLU A 9 -25.051 -6.381 -13.875 1.00 0.00 C ATOM 87 OE1 GLU A 9 -25.546 -5.689 -14.791 1.00 0.00 O ATOM 88 OE2 GLU A 9 -24.277 -7.338 -14.082 1.00 0.00 O ATOM 0 H GLU A 9 -27.681 -7.015 -14.403 1.00 0.00 H new ATOM 0 HA GLU A 9 -26.785 -8.277 -11.946 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -27.429 -5.446 -12.822 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -27.098 -5.835 -11.146 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -25.074 -5.027 -12.218 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -24.875 -6.709 -11.768 1.00 0.00 H new ATOM 95 N ARG A 10 -28.798 -8.062 -10.425 1.00 0.00 N ATOM 96 CA ARG A 10 -30.024 -8.223 -9.653 1.00 0.00 C ATOM 97 C ARG A 10 -29.904 -7.541 -8.293 1.00 0.00 C ATOM 98 O ARG A 10 -28.811 -7.161 -7.874 1.00 0.00 O ATOM 99 CB ARG A 10 -30.343 -9.707 -9.464 1.00 0.00 C ATOM 100 CG ARG A 10 -30.642 -10.436 -10.764 1.00 0.00 C ATOM 101 CD ARG A 10 -29.365 -10.873 -11.465 1.00 0.00 C ATOM 102 NE ARG A 10 -28.710 -11.978 -10.768 1.00 0.00 N ATOM 103 CZ ARG A 10 -28.974 -13.257 -11.008 1.00 0.00 C ATOM 104 NH1 ARG A 10 -29.874 -13.592 -11.922 1.00 0.00 N ATOM 105 NH2 ARG A 10 -28.336 -14.205 -10.334 1.00 0.00 N ATOM 0 H ARG A 10 -27.943 -8.270 -9.908 1.00 0.00 H new ATOM 0 HA ARG A 10 -30.836 -7.752 -10.207 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -29.500 -10.191 -8.971 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -31.200 -9.804 -8.798 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -31.262 -11.308 -10.559 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -31.216 -9.785 -11.424 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -29.597 -11.175 -12.486 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -28.680 -10.028 -11.530 1.00 0.00 H new ATOM 0 HE ARG A 10 -28.012 -11.755 -10.059 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -30.366 -12.866 -12.443 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -30.074 -14.575 -12.104 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -27.642 -13.952 -9.631 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -28.539 -15.187 -10.519 1.00 0.00 H new ATOM 119 N GLU A 11 -31.034 -7.389 -7.610 1.00 0.00 N ATOM 120 CA GLU A 11 -31.054 -6.752 -6.299 1.00 0.00 C ATOM 121 C GLU A 11 -30.311 -7.599 -5.271 1.00 0.00 C ATOM 122 O GLU A 11 -30.217 -8.820 -5.405 1.00 0.00 O ATOM 123 CB GLU A 11 -32.496 -6.523 -5.841 1.00 0.00 C ATOM 124 CG GLU A 11 -33.257 -5.526 -6.699 1.00 0.00 C ATOM 125 CD GLU A 11 -34.457 -4.936 -5.983 1.00 0.00 C ATOM 126 OE1 GLU A 11 -34.254 -4.118 -5.061 1.00 0.00 O ATOM 127 OE2 GLU A 11 -35.598 -5.292 -6.344 1.00 0.00 O ATOM 0 H GLU A 11 -31.947 -7.698 -7.943 1.00 0.00 H new ATOM 0 HA GLU A 11 -30.550 -5.789 -6.383 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -33.026 -7.475 -5.849 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -32.489 -6.171 -4.810 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -32.585 -4.721 -6.997 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -33.590 -6.018 -7.613 1.00 0.00 H new ATOM 134 N LYS A 12 -29.782 -6.943 -4.244 1.00 0.00 N ATOM 135 CA LYS A 12 -29.046 -7.634 -3.191 1.00 0.00 C ATOM 136 C LYS A 12 -30.001 -8.246 -2.171 1.00 0.00 C ATOM 137 O LYS A 12 -30.724 -7.531 -1.476 1.00 0.00 O ATOM 138 CB LYS A 12 -28.088 -6.667 -2.492 1.00 0.00 C ATOM 139 CG LYS A 12 -26.713 -6.603 -3.134 1.00 0.00 C ATOM 140 CD LYS A 12 -26.780 -6.024 -4.538 1.00 0.00 C ATOM 141 CE LYS A 12 -27.033 -4.524 -4.511 1.00 0.00 C ATOM 142 NZ LYS A 12 -27.752 -4.061 -5.730 1.00 0.00 N ATOM 0 H LYS A 12 -29.849 -5.933 -4.118 1.00 0.00 H new ATOM 0 HA LYS A 12 -28.471 -8.437 -3.651 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -28.527 -5.669 -2.493 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -27.979 -6.966 -1.450 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -26.051 -5.993 -2.519 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -26.281 -7.603 -3.172 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -25.846 -6.227 -5.061 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -27.573 -6.518 -5.099 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -27.617 -4.270 -3.626 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -26.083 -3.997 -4.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -27.905 -3.034 -5.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -27.183 -4.280 -6.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -28.670 -4.545 -5.796 1.00 0.00 H new ATOM 156 N PHE A 13 -29.999 -9.572 -2.087 1.00 0.00 N ATOM 157 CA PHE A 13 -30.866 -10.280 -1.151 1.00 0.00 C ATOM 158 C PHE A 13 -30.045 -10.973 -0.068 1.00 0.00 C ATOM 159 O PHE A 13 -28.814 -10.947 -0.095 1.00 0.00 O ATOM 160 CB PHE A 13 -31.723 -11.307 -1.894 1.00 0.00 C ATOM 161 CG PHE A 13 -30.954 -12.113 -2.901 1.00 0.00 C ATOM 162 CD1 PHE A 13 -30.254 -13.244 -2.514 1.00 0.00 C ATOM 163 CD2 PHE A 13 -30.930 -11.738 -4.235 1.00 0.00 C ATOM 164 CE1 PHE A 13 -29.546 -13.989 -3.439 1.00 0.00 C ATOM 165 CE2 PHE A 13 -30.224 -12.479 -5.164 1.00 0.00 C ATOM 166 CZ PHE A 13 -29.530 -13.605 -4.766 1.00 0.00 C ATOM 0 H PHE A 13 -29.407 -10.178 -2.655 1.00 0.00 H new ATOM 0 HA PHE A 13 -31.519 -9.549 -0.675 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -32.176 -11.983 -1.169 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -32.538 -10.790 -2.400 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -30.261 -13.547 -1.478 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -31.469 -10.857 -4.552 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -29.006 -14.870 -3.125 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -30.215 -12.178 -6.201 1.00 0.00 H new ATOM 0 HZ PHE A 13 -28.976 -14.184 -5.490 1.00 0.00 H new ATOM 176 N ILE A 14 -30.735 -11.592 0.884 1.00 0.00 N ATOM 177 CA ILE A 14 -30.071 -12.293 1.976 1.00 0.00 C ATOM 178 C ILE A 14 -29.473 -13.612 1.499 1.00 0.00 C ATOM 179 O ILE A 14 -30.145 -14.412 0.847 1.00 0.00 O ATOM 180 CB ILE A 14 -31.042 -12.573 3.138 1.00 0.00 C ATOM 181 CG1 ILE A 14 -31.694 -11.272 3.610 1.00 0.00 C ATOM 182 CG2 ILE A 14 -30.311 -13.252 4.286 1.00 0.00 C ATOM 183 CD1 ILE A 14 -30.699 -10.223 4.056 1.00 0.00 C ATOM 0 H ILE A 14 -31.754 -11.622 0.921 1.00 0.00 H new ATOM 0 HA ILE A 14 -29.272 -11.641 2.330 1.00 0.00 H new ATOM 0 HB ILE A 14 -31.826 -13.243 2.785 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -32.300 -10.865 2.801 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -32.371 -11.493 4.435 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -31.010 -13.444 5.100 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -29.889 -14.196 3.941 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -29.510 -12.604 4.641 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -31.233 -9.328 4.377 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -30.109 -10.611 4.886 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -30.038 -9.973 3.227 1.00 0.00 H new ATOM 195 N VAL A 15 -28.205 -13.835 1.829 1.00 0.00 N ATOM 196 CA VAL A 15 -27.516 -15.059 1.438 1.00 0.00 C ATOM 197 C VAL A 15 -27.907 -16.223 2.342 1.00 0.00 C ATOM 198 O VAL A 15 -28.151 -16.058 3.537 1.00 0.00 O ATOM 199 CB VAL A 15 -25.987 -14.881 1.480 1.00 0.00 C ATOM 200 CG1 VAL A 15 -25.551 -13.778 0.528 1.00 0.00 C ATOM 201 CG2 VAL A 15 -25.525 -14.585 2.899 1.00 0.00 C ATOM 0 H VAL A 15 -27.634 -13.183 2.367 1.00 0.00 H new ATOM 0 HA VAL A 15 -27.820 -15.280 0.415 1.00 0.00 H new ATOM 0 HB VAL A 15 -25.521 -15.812 1.157 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -24.468 -13.667 0.572 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -25.849 -14.036 -0.488 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -26.024 -12.840 0.818 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -24.442 -14.462 2.911 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -25.998 -13.669 3.252 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -25.803 -15.412 3.552 1.00 0.00 H new ATOM 211 N PRO A 16 -27.968 -17.429 1.760 1.00 0.00 N ATOM 212 CA PRO A 16 -28.327 -18.646 2.495 1.00 0.00 C ATOM 213 C PRO A 16 -27.244 -19.068 3.482 1.00 0.00 C ATOM 214 O PRO A 16 -26.086 -18.672 3.353 1.00 0.00 O ATOM 215 CB PRO A 16 -28.482 -19.695 1.391 1.00 0.00 C ATOM 216 CG PRO A 16 -27.626 -19.201 0.276 1.00 0.00 C ATOM 217 CD PRO A 16 -27.689 -17.700 0.339 1.00 0.00 C ATOM 0 HA PRO A 16 -29.224 -18.507 3.099 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -28.159 -20.679 1.732 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -29.522 -19.791 1.079 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -26.600 -19.553 0.386 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -27.988 -19.567 -0.685 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -26.751 -17.245 0.020 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -28.472 -17.303 -0.307 1.00 0.00 H new ATOM 225 N ILE A 17 -27.629 -19.873 4.467 1.00 0.00 N ATOM 226 CA ILE A 17 -26.690 -20.349 5.474 1.00 0.00 C ATOM 227 C ILE A 17 -25.881 -21.534 4.956 1.00 0.00 C ATOM 228 O ILE A 17 -26.400 -22.386 4.234 1.00 0.00 O ATOM 229 CB ILE A 17 -27.415 -20.764 6.768 1.00 0.00 C ATOM 230 CG1 ILE A 17 -28.338 -19.640 7.244 1.00 0.00 C ATOM 231 CG2 ILE A 17 -26.406 -21.122 7.849 1.00 0.00 C ATOM 232 CD1 ILE A 17 -27.605 -18.364 7.595 1.00 0.00 C ATOM 0 H ILE A 17 -28.584 -20.209 4.589 1.00 0.00 H new ATOM 0 HA ILE A 17 -26.017 -19.521 5.694 1.00 0.00 H new ATOM 0 HB ILE A 17 -28.023 -21.644 6.560 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -29.069 -19.427 6.464 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -28.894 -19.982 8.117 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -26.934 -21.413 8.757 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -25.786 -21.951 7.508 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -25.774 -20.259 8.057 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -28.322 -17.612 7.924 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -26.893 -18.562 8.396 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -27.072 -17.998 6.718 1.00 0.00 H new ATOM 244 N LYS A 18 -24.607 -21.582 5.330 1.00 0.00 N ATOM 245 CA LYS A 18 -23.726 -22.663 4.907 1.00 0.00 C ATOM 246 C LYS A 18 -23.578 -22.682 3.388 1.00 0.00 C ATOM 247 O LYS A 18 -23.688 -23.733 2.758 1.00 0.00 O ATOM 248 CB LYS A 18 -24.266 -24.010 5.393 1.00 0.00 C ATOM 249 CG LYS A 18 -23.193 -25.073 5.554 1.00 0.00 C ATOM 250 CD LYS A 18 -23.781 -26.473 5.486 1.00 0.00 C ATOM 251 CE LYS A 18 -22.896 -27.484 6.199 1.00 0.00 C ATOM 252 NZ LYS A 18 -23.481 -28.853 6.167 1.00 0.00 N ATOM 0 H LYS A 18 -24.162 -20.884 5.926 1.00 0.00 H new ATOM 0 HA LYS A 18 -22.745 -22.491 5.349 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -24.770 -23.866 6.349 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -25.016 -24.367 4.688 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -22.442 -24.954 4.773 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -22.685 -24.937 6.509 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -24.773 -26.474 5.937 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -23.904 -26.767 4.444 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -21.912 -27.499 5.731 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -22.752 -27.175 7.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -22.848 -29.513 6.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -24.409 -28.845 6.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -23.595 -29.159 5.180 1.00 0.00 H new ATOM 266 N ALA A 19 -23.327 -21.513 2.809 1.00 0.00 N ATOM 267 CA ALA A 19 -23.160 -21.396 1.365 1.00 0.00 C ATOM 268 C ALA A 19 -21.687 -21.445 0.977 1.00 0.00 C ATOM 269 O ALA A 19 -21.315 -22.086 -0.007 1.00 0.00 O ATOM 270 CB ALA A 19 -23.797 -20.109 0.863 1.00 0.00 C ATOM 0 H ALA A 19 -23.235 -20.633 3.317 1.00 0.00 H new ATOM 0 HA ALA A 19 -23.660 -22.243 0.896 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -23.665 -20.035 -0.216 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -24.861 -20.114 1.099 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -23.322 -19.255 1.346 1.00 0.00 H new ATOM 276 N ARG A 20 -20.851 -20.765 1.755 1.00 0.00 N ATOM 277 CA ARG A 20 -19.418 -20.730 1.491 1.00 0.00 C ATOM 278 C ARG A 20 -18.627 -21.165 2.721 1.00 0.00 C ATOM 279 O ARG A 20 -19.087 -21.014 3.852 1.00 0.00 O ATOM 280 CB ARG A 20 -18.990 -19.324 1.066 1.00 0.00 C ATOM 281 CG ARG A 20 -19.299 -19.006 -0.387 1.00 0.00 C ATOM 282 CD ARG A 20 -20.787 -18.777 -0.603 1.00 0.00 C ATOM 283 NE ARG A 20 -21.045 -17.866 -1.715 1.00 0.00 N ATOM 284 CZ ARG A 20 -20.834 -18.182 -2.988 1.00 0.00 C ATOM 285 NH1 ARG A 20 -20.365 -19.380 -3.308 1.00 0.00 N ATOM 286 NH2 ARG A 20 -21.093 -17.299 -3.944 1.00 0.00 N ATOM 0 H ARG A 20 -21.142 -20.231 2.574 1.00 0.00 H new ATOM 0 HA ARG A 20 -19.207 -21.427 0.680 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -19.489 -18.594 1.703 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -17.919 -19.214 1.233 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -18.745 -18.118 -0.692 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -18.960 -19.826 -1.020 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -21.276 -19.732 -0.796 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -21.227 -18.371 0.308 1.00 0.00 H new ATOM 0 HE ARG A 20 -21.407 -16.936 -1.503 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -20.165 -20.062 -2.576 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -20.204 -19.620 -4.286 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -21.454 -16.376 -3.702 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -20.931 -17.543 -4.921 1.00 0.00 H new ATOM 300 N GLY A 21 -17.434 -21.705 2.492 1.00 0.00 N ATOM 301 CA GLY A 21 -16.599 -22.154 3.591 1.00 0.00 C ATOM 302 C GLY A 21 -15.475 -21.185 3.897 1.00 0.00 C ATOM 303 O GLY A 21 -15.712 -20.088 4.403 1.00 0.00 O ATOM 0 H GLY A 21 -17.031 -21.840 1.565 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -17.214 -22.285 4.481 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -16.178 -23.130 3.348 1.00 0.00 H new ATOM 307 N ALA A 22 -14.246 -21.591 3.592 1.00 0.00 N ATOM 308 CA ALA A 22 -13.081 -20.751 3.838 1.00 0.00 C ATOM 309 C ALA A 22 -13.180 -19.436 3.072 1.00 0.00 C ATOM 310 O ALA A 22 -13.653 -19.404 1.935 1.00 0.00 O ATOM 311 CB ALA A 22 -11.807 -21.491 3.459 1.00 0.00 C ATOM 0 H ALA A 22 -14.032 -22.497 3.174 1.00 0.00 H new ATOM 0 HA ALA A 22 -13.050 -20.519 4.903 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -10.945 -20.851 3.648 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -11.723 -22.399 4.056 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -11.839 -21.753 2.401 1.00 0.00 H new ATOM 317 N ARG A 23 -12.733 -18.354 3.700 1.00 0.00 N ATOM 318 CA ARG A 23 -12.773 -17.037 3.077 1.00 0.00 C ATOM 319 C ARG A 23 -11.363 -16.517 2.812 1.00 0.00 C ATOM 320 O ARG A 23 -11.176 -15.551 2.073 1.00 0.00 O ATOM 321 CB ARG A 23 -13.532 -16.051 3.968 1.00 0.00 C ATOM 322 CG ARG A 23 -14.963 -16.473 4.261 1.00 0.00 C ATOM 323 CD ARG A 23 -15.513 -15.760 5.486 1.00 0.00 C ATOM 324 NE ARG A 23 -16.554 -16.539 6.151 1.00 0.00 N ATOM 325 CZ ARG A 23 -17.812 -16.599 5.726 1.00 0.00 C ATOM 326 NH1 ARG A 23 -18.182 -15.930 4.643 1.00 0.00 N ATOM 327 NH2 ARG A 23 -18.702 -17.330 6.385 1.00 0.00 N ATOM 0 H ARG A 23 -12.339 -18.364 4.641 1.00 0.00 H new ATOM 0 HA ARG A 23 -13.293 -17.130 2.123 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -12.995 -15.938 4.910 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -13.542 -15.073 3.487 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -15.592 -16.254 3.398 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -15.001 -17.551 4.418 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -14.702 -15.566 6.187 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -15.917 -14.792 5.191 1.00 0.00 H new ATOM 0 HE ARG A 23 -16.302 -17.066 6.987 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -17.501 -15.367 4.134 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -19.148 -15.978 4.319 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -18.421 -17.846 7.218 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -19.667 -17.375 6.058 1.00 0.00 H new ATOM 341 N ALA A 24 -10.375 -17.166 3.420 1.00 0.00 N ATOM 342 CA ALA A 24 -8.983 -16.770 3.248 1.00 0.00 C ATOM 343 C ALA A 24 -8.766 -15.323 3.676 1.00 0.00 C ATOM 344 O ALA A 24 -8.149 -14.538 2.955 1.00 0.00 O ATOM 345 CB ALA A 24 -8.553 -16.965 1.802 1.00 0.00 C ATOM 0 H ALA A 24 -10.513 -17.968 4.035 1.00 0.00 H new ATOM 0 HA ALA A 24 -8.370 -17.406 3.887 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -7.511 -16.665 1.689 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -8.660 -18.015 1.529 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -9.179 -16.355 1.151 1.00 0.00 H new ATOM 351 N ILE A 25 -9.279 -14.975 4.851 1.00 0.00 N ATOM 352 CA ILE A 25 -9.141 -13.621 5.374 1.00 0.00 C ATOM 353 C ILE A 25 -7.676 -13.275 5.622 1.00 0.00 C ATOM 354 O ILE A 25 -6.874 -14.138 5.979 1.00 0.00 O ATOM 355 CB ILE A 25 -9.928 -13.441 6.685 1.00 0.00 C ATOM 356 CG1 ILE A 25 -11.336 -14.023 6.544 1.00 0.00 C ATOM 357 CG2 ILE A 25 -9.992 -11.970 7.067 1.00 0.00 C ATOM 358 CD1 ILE A 25 -12.130 -13.415 5.409 1.00 0.00 C ATOM 0 H ILE A 25 -9.794 -15.612 5.459 1.00 0.00 H new ATOM 0 HA ILE A 25 -9.549 -12.948 4.620 1.00 0.00 H new ATOM 0 HB ILE A 25 -9.411 -13.980 7.479 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -11.262 -15.099 6.389 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -11.878 -13.872 7.478 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -10.552 -11.859 7.996 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -8.981 -11.585 7.204 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -10.489 -11.410 6.275 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -13.117 -13.875 5.368 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -12.236 -12.343 5.572 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -11.610 -13.589 4.467 1.00 0.00 H new ATOM 370 N LEU A 26 -7.335 -12.005 5.431 1.00 0.00 N ATOM 371 CA LEU A 26 -5.966 -11.542 5.636 1.00 0.00 C ATOM 372 C LEU A 26 -5.936 -10.316 6.543 1.00 0.00 C ATOM 373 O LEU A 26 -6.980 -9.812 6.957 1.00 0.00 O ATOM 374 CB LEU A 26 -5.312 -11.213 4.293 1.00 0.00 C ATOM 375 CG LEU A 26 -4.501 -12.338 3.648 1.00 0.00 C ATOM 376 CD1 LEU A 26 -3.438 -12.848 4.608 1.00 0.00 C ATOM 377 CD2 LEU A 26 -5.417 -13.473 3.212 1.00 0.00 C ATOM 0 H LEU A 26 -7.986 -11.278 5.135 1.00 0.00 H new ATOM 0 HA LEU A 26 -5.406 -12.343 6.120 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -6.093 -10.909 3.596 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.657 -10.353 4.432 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.002 -11.940 2.764 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.871 -13.648 4.132 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.764 -12.033 4.871 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.916 -13.229 5.510 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.823 -14.265 2.755 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -5.944 -13.869 4.080 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -6.141 -13.099 2.488 1.00 0.00 H new ATOM 389 N ASP A 27 -4.734 -9.839 6.845 1.00 0.00 N ATOM 390 CA ASP A 27 -4.567 -8.670 7.700 1.00 0.00 C ATOM 391 C ASP A 27 -3.808 -7.566 6.969 1.00 0.00 C ATOM 392 O ASP A 27 -2.586 -7.623 6.836 1.00 0.00 O ATOM 393 CB ASP A 27 -3.828 -9.051 8.983 1.00 0.00 C ATOM 394 CG ASP A 27 -3.405 -7.838 9.789 1.00 0.00 C ATOM 395 OD1 ASP A 27 -2.383 -7.216 9.432 1.00 0.00 O ATOM 396 OD2 ASP A 27 -4.095 -7.513 10.778 1.00 0.00 O ATOM 0 H ASP A 27 -3.860 -10.244 6.510 1.00 0.00 H new ATOM 0 HA ASP A 27 -5.557 -8.295 7.959 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -4.471 -9.684 9.595 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -2.947 -9.641 8.730 1.00 0.00 H new ATOM 401 N PHE A 28 -4.542 -6.564 6.496 1.00 0.00 N ATOM 402 CA PHE A 28 -3.938 -5.448 5.777 1.00 0.00 C ATOM 403 C PHE A 28 -4.385 -4.114 6.369 1.00 0.00 C ATOM 404 O PHE A 28 -5.541 -3.933 6.753 1.00 0.00 O ATOM 405 CB PHE A 28 -4.308 -5.510 4.294 1.00 0.00 C ATOM 406 CG PHE A 28 -3.440 -6.443 3.498 1.00 0.00 C ATOM 407 CD1 PHE A 28 -3.652 -7.812 3.540 1.00 0.00 C ATOM 408 CD2 PHE A 28 -2.413 -5.952 2.709 1.00 0.00 C ATOM 409 CE1 PHE A 28 -2.854 -8.673 2.810 1.00 0.00 C ATOM 410 CE2 PHE A 28 -1.612 -6.808 1.976 1.00 0.00 C ATOM 411 CZ PHE A 28 -1.833 -8.170 2.026 1.00 0.00 C ATOM 0 H PHE A 28 -5.555 -6.502 6.598 1.00 0.00 H new ATOM 0 HA PHE A 28 -2.855 -5.526 5.878 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -5.347 -5.824 4.200 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -4.238 -4.509 3.868 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -4.449 -8.211 4.150 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -2.236 -4.888 2.666 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -3.028 -9.738 2.852 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -0.814 -6.412 1.365 1.00 0.00 H new ATOM 0 HZ PHE A 28 -1.209 -8.841 1.454 1.00 0.00 H new ATOM 421 N PRO A 29 -3.448 -3.158 6.444 1.00 0.00 N ATOM 422 CA PRO A 29 -3.721 -1.824 6.987 1.00 0.00 C ATOM 423 C PRO A 29 -4.627 -1.001 6.077 1.00 0.00 C ATOM 424 O PRO A 29 -4.710 -1.254 4.875 1.00 0.00 O ATOM 425 CB PRO A 29 -2.333 -1.186 7.077 1.00 0.00 C ATOM 426 CG PRO A 29 -1.523 -1.897 6.048 1.00 0.00 C ATOM 427 CD PRO A 29 -2.051 -3.304 6.004 1.00 0.00 C ATOM 0 HA PRO A 29 -4.246 -1.873 7.941 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -2.376 -0.115 6.877 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -1.905 -1.308 8.072 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -1.617 -1.414 5.075 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -0.465 -1.885 6.308 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -1.988 -3.726 5.001 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -1.489 -3.965 6.664 1.00 0.00 H new ATOM 435 N ASP A 30 -5.305 -0.017 6.658 1.00 0.00 N ATOM 436 CA ASP A 30 -6.204 0.844 5.899 1.00 0.00 C ATOM 437 C ASP A 30 -5.467 1.517 4.745 1.00 0.00 C ATOM 438 O ASP A 30 -6.000 1.643 3.642 1.00 0.00 O ATOM 439 CB ASP A 30 -6.823 1.903 6.812 1.00 0.00 C ATOM 440 CG ASP A 30 -7.977 1.359 7.630 1.00 0.00 C ATOM 441 OD1 ASP A 30 -7.728 0.527 8.528 1.00 0.00 O ATOM 442 OD2 ASP A 30 -9.131 1.763 7.373 1.00 0.00 O ATOM 0 H ASP A 30 -5.249 0.204 7.652 1.00 0.00 H new ATOM 0 HA ASP A 30 -6.999 0.223 5.486 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -6.057 2.292 7.483 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -7.173 2.740 6.208 1.00 0.00 H new ATOM 447 N LYS A 31 -4.238 1.950 5.007 1.00 0.00 N ATOM 448 CA LYS A 31 -3.427 2.610 3.992 1.00 0.00 C ATOM 449 C LYS A 31 -1.944 2.520 4.338 1.00 0.00 C ATOM 450 O LYS A 31 -1.578 2.211 5.472 1.00 0.00 O ATOM 451 CB LYS A 31 -3.840 4.077 3.854 1.00 0.00 C ATOM 452 CG LYS A 31 -3.701 4.872 5.140 1.00 0.00 C ATOM 453 CD LYS A 31 -3.794 6.367 4.885 1.00 0.00 C ATOM 454 CE LYS A 31 -5.221 6.872 5.040 1.00 0.00 C ATOM 455 NZ LYS A 31 -6.094 6.422 3.921 1.00 0.00 N ATOM 0 H LYS A 31 -3.782 1.855 5.915 1.00 0.00 H new ATOM 0 HA LYS A 31 -3.593 2.101 3.043 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -3.232 4.545 3.080 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -4.876 4.124 3.518 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -4.481 4.572 5.840 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -2.745 4.641 5.610 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -3.142 6.897 5.580 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -3.436 6.589 3.880 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -5.631 6.517 5.986 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -5.218 7.961 5.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -6.924 7.045 3.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -5.562 6.460 3.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -6.407 5.446 4.096 1.00 0.00 H new ATOM 469 N LEU A 32 -1.094 2.793 3.354 1.00 0.00 N ATOM 470 CA LEU A 32 0.350 2.744 3.554 1.00 0.00 C ATOM 471 C LEU A 32 0.922 4.146 3.739 1.00 0.00 C ATOM 472 O LEU A 32 0.688 5.035 2.923 1.00 0.00 O ATOM 473 CB LEU A 32 1.027 2.058 2.367 1.00 0.00 C ATOM 474 CG LEU A 32 2.381 1.406 2.650 1.00 0.00 C ATOM 475 CD1 LEU A 32 3.359 2.429 3.206 1.00 0.00 C ATOM 476 CD2 LEU A 32 2.220 0.240 3.614 1.00 0.00 C ATOM 0 H LEU A 32 -1.380 3.051 2.409 1.00 0.00 H new ATOM 0 HA LEU A 32 0.547 2.168 4.459 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.352 1.294 1.982 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.160 2.795 1.575 1.00 0.00 H new ATOM 0 HG LEU A 32 2.782 1.023 1.712 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.317 1.948 3.402 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.497 3.231 2.481 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.965 2.842 4.134 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.193 -0.212 3.804 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.797 0.599 4.552 1.00 0.00 H new ATOM 0 HD23 LEU A 32 1.554 -0.504 3.177 1.00 0.00 H new ATOM 488 N ASN A 33 1.675 4.335 4.818 1.00 0.00 N ATOM 489 CA ASN A 33 2.282 5.628 5.110 1.00 0.00 C ATOM 490 C ASN A 33 3.788 5.589 4.868 1.00 0.00 C ATOM 491 O ASN A 33 4.536 4.983 5.636 1.00 0.00 O ATOM 492 CB ASN A 33 1.997 6.034 6.557 1.00 0.00 C ATOM 493 CG ASN A 33 2.201 7.518 6.793 1.00 0.00 C ATOM 494 OD1 ASN A 33 1.939 8.339 5.913 1.00 0.00 O ATOM 495 ND2 ASN A 33 2.670 7.869 7.984 1.00 0.00 N ATOM 0 H ASN A 33 1.879 3.609 5.504 1.00 0.00 H new ATOM 0 HA ASN A 33 1.843 6.367 4.440 1.00 0.00 H new ATOM 0 HB2 ASN A 33 0.971 5.766 6.811 1.00 0.00 H new ATOM 0 HB3 ASN A 33 2.648 5.470 7.225 1.00 0.00 H new ATOM 0 HD21 ASN A 33 2.827 8.853 8.200 1.00 0.00 H new ATOM 0 HD22 ASN A 33 2.873 7.154 8.683 1.00 0.00 H new ATOM 502 N PHE A 34 4.226 6.240 3.796 1.00 0.00 N ATOM 503 CA PHE A 34 5.643 6.280 3.452 1.00 0.00 C ATOM 504 C PHE A 34 6.309 7.523 4.034 1.00 0.00 C ATOM 505 O PHE A 34 6.048 8.644 3.596 1.00 0.00 O ATOM 506 CB PHE A 34 5.821 6.257 1.932 1.00 0.00 C ATOM 507 CG PHE A 34 5.902 4.870 1.360 1.00 0.00 C ATOM 508 CD1 PHE A 34 4.750 4.163 1.057 1.00 0.00 C ATOM 509 CD2 PHE A 34 7.131 4.274 1.125 1.00 0.00 C ATOM 510 CE1 PHE A 34 4.821 2.888 0.529 1.00 0.00 C ATOM 511 CE2 PHE A 34 7.208 2.999 0.598 1.00 0.00 C ATOM 512 CZ PHE A 34 6.052 2.304 0.300 1.00 0.00 C ATOM 0 H PHE A 34 3.621 6.747 3.150 1.00 0.00 H new ATOM 0 HA PHE A 34 6.120 5.399 3.881 1.00 0.00 H new ATOM 0 HB2 PHE A 34 4.988 6.785 1.468 1.00 0.00 H new ATOM 0 HB3 PHE A 34 6.728 6.803 1.672 1.00 0.00 H new ATOM 0 HD1 PHE A 34 3.785 4.614 1.236 1.00 0.00 H new ATOM 0 HD2 PHE A 34 8.038 4.812 1.356 1.00 0.00 H new ATOM 0 HE1 PHE A 34 3.915 2.348 0.296 1.00 0.00 H new ATOM 0 HE2 PHE A 34 8.172 2.546 0.419 1.00 0.00 H new ATOM 0 HZ PHE A 34 6.110 1.307 -0.111 1.00 0.00 H new ATOM 522 N SER A 35 7.171 7.316 5.024 1.00 0.00 N ATOM 523 CA SER A 35 7.872 8.420 5.671 1.00 0.00 C ATOM 524 C SER A 35 8.559 9.307 4.637 1.00 0.00 C ATOM 525 O SER A 35 8.634 8.963 3.457 1.00 0.00 O ATOM 526 CB SER A 35 8.904 7.884 6.665 1.00 0.00 C ATOM 527 OG SER A 35 8.335 7.723 7.953 1.00 0.00 O ATOM 0 H SER A 35 7.401 6.395 5.396 1.00 0.00 H new ATOM 0 HA SER A 35 7.137 9.019 6.209 1.00 0.00 H new ATOM 0 HB2 SER A 35 9.291 6.928 6.313 1.00 0.00 H new ATOM 0 HB3 SER A 35 9.750 8.569 6.721 1.00 0.00 H new ATOM 0 HG SER A 35 9.014 7.378 8.570 1.00 0.00 H new ATOM 533 N THR A 36 9.060 10.453 5.088 1.00 0.00 N ATOM 534 CA THR A 36 9.739 11.391 4.204 1.00 0.00 C ATOM 535 C THR A 36 10.838 10.698 3.407 1.00 0.00 C ATOM 536 O THR A 36 11.749 10.099 3.978 1.00 0.00 O ATOM 537 CB THR A 36 10.354 12.562 4.994 1.00 0.00 C ATOM 538 OG1 THR A 36 9.419 13.043 5.966 1.00 0.00 O ATOM 539 CG2 THR A 36 10.750 13.696 4.060 1.00 0.00 C ATOM 0 H THR A 36 9.008 10.753 6.061 1.00 0.00 H new ATOM 0 HA THR A 36 8.987 11.780 3.518 1.00 0.00 H new ATOM 0 HB THR A 36 11.249 12.199 5.500 1.00 0.00 H new ATOM 0 HG1 THR A 36 9.819 13.786 6.465 1.00 0.00 H new ATOM 0 HG21 THR A 36 11.182 14.511 4.640 1.00 0.00 H new ATOM 0 HG22 THR A 36 11.484 13.335 3.340 1.00 0.00 H new ATOM 0 HG23 THR A 36 9.868 14.055 3.530 1.00 0.00 H new ATOM 547 N CYS A 37 10.746 10.784 2.084 1.00 0.00 N ATOM 548 CA CYS A 37 11.734 10.164 1.208 1.00 0.00 C ATOM 549 C CYS A 37 12.061 11.075 0.029 1.00 0.00 C ATOM 550 O CYS A 37 11.354 12.041 -0.257 1.00 0.00 O ATOM 551 CB CYS A 37 11.220 8.816 0.699 1.00 0.00 C ATOM 552 SG CYS A 37 11.781 7.399 1.672 1.00 0.00 S ATOM 0 H CYS A 37 9.998 11.276 1.595 1.00 0.00 H new ATOM 0 HA CYS A 37 12.645 10.003 1.784 1.00 0.00 H new ATOM 0 HB2 CYS A 37 10.130 8.832 0.695 1.00 0.00 H new ATOM 0 HB3 CYS A 37 11.540 8.684 -0.334 1.00 0.00 H new ATOM 0 HG CYS A 37 10.752 6.773 2.160 1.00 0.00 H new ATOM 558 N PRO A 38 13.161 10.762 -0.673 1.00 0.00 N ATOM 559 CA PRO A 38 13.608 11.540 -1.832 1.00 0.00 C ATOM 560 C PRO A 38 12.679 11.382 -3.031 1.00 0.00 C ATOM 561 O PRO A 38 12.102 10.316 -3.244 1.00 0.00 O ATOM 562 CB PRO A 38 14.987 10.952 -2.143 1.00 0.00 C ATOM 563 CG PRO A 38 14.938 9.565 -1.603 1.00 0.00 C ATOM 564 CD PRO A 38 14.051 9.624 -0.390 1.00 0.00 C ATOM 0 HA PRO A 38 13.622 12.610 -1.623 1.00 0.00 H new ATOM 0 HB2 PRO A 38 15.185 10.953 -3.215 1.00 0.00 H new ATOM 0 HB3 PRO A 38 15.780 11.532 -1.672 1.00 0.00 H new ATOM 0 HG2 PRO A 38 14.540 8.872 -2.344 1.00 0.00 H new ATOM 0 HG3 PRO A 38 15.936 9.213 -1.340 1.00 0.00 H new ATOM 0 HD2 PRO A 38 13.490 8.699 -0.257 1.00 0.00 H new ATOM 0 HD3 PRO A 38 14.627 9.782 0.522 1.00 0.00 H new ATOM 572 N VAL A 39 12.540 12.449 -3.811 1.00 0.00 N ATOM 573 CA VAL A 39 11.681 12.428 -4.989 1.00 0.00 C ATOM 574 C VAL A 39 12.317 11.622 -6.117 1.00 0.00 C ATOM 575 O VAL A 39 11.675 10.759 -6.716 1.00 0.00 O ATOM 576 CB VAL A 39 11.386 13.852 -5.494 1.00 0.00 C ATOM 577 CG1 VAL A 39 12.592 14.755 -5.284 1.00 0.00 C ATOM 578 CG2 VAL A 39 10.980 13.824 -6.960 1.00 0.00 C ATOM 0 H VAL A 39 13.011 13.339 -3.648 1.00 0.00 H new ATOM 0 HA VAL A 39 10.745 11.956 -4.691 1.00 0.00 H new ATOM 0 HB VAL A 39 10.554 14.257 -4.918 1.00 0.00 H new ATOM 0 HG11 VAL A 39 12.364 15.757 -5.647 1.00 0.00 H new ATOM 0 HG12 VAL A 39 12.832 14.800 -4.222 1.00 0.00 H new ATOM 0 HG13 VAL A 39 13.445 14.356 -5.832 1.00 0.00 H new ATOM 0 HG21 VAL A 39 10.775 14.839 -7.300 1.00 0.00 H new ATOM 0 HG22 VAL A 39 11.789 13.399 -7.554 1.00 0.00 H new ATOM 0 HG23 VAL A 39 10.084 13.214 -7.078 1.00 0.00 H new ATOM 588 N LYS A 40 13.583 11.909 -6.401 1.00 0.00 N ATOM 589 CA LYS A 40 14.308 11.211 -7.456 1.00 0.00 C ATOM 590 C LYS A 40 14.597 9.768 -7.055 1.00 0.00 C ATOM 591 O LYS A 40 14.147 8.829 -7.711 1.00 0.00 O ATOM 592 CB LYS A 40 15.618 11.937 -7.769 1.00 0.00 C ATOM 593 CG LYS A 40 15.512 12.910 -8.931 1.00 0.00 C ATOM 594 CD LYS A 40 14.605 14.082 -8.595 1.00 0.00 C ATOM 595 CE LYS A 40 14.706 15.183 -9.640 1.00 0.00 C ATOM 596 NZ LYS A 40 15.983 15.940 -9.525 1.00 0.00 N ATOM 0 H LYS A 40 14.128 12.621 -5.915 1.00 0.00 H new ATOM 0 HA LYS A 40 13.682 11.203 -8.348 1.00 0.00 H new ATOM 0 HB2 LYS A 40 15.944 12.479 -6.881 1.00 0.00 H new ATOM 0 HB3 LYS A 40 16.388 11.199 -7.993 1.00 0.00 H new ATOM 0 HG2 LYS A 40 16.504 13.279 -9.190 1.00 0.00 H new ATOM 0 HG3 LYS A 40 15.127 12.390 -9.808 1.00 0.00 H new ATOM 0 HD2 LYS A 40 13.573 13.737 -8.527 1.00 0.00 H new ATOM 0 HD3 LYS A 40 14.873 14.482 -7.617 1.00 0.00 H new ATOM 0 HE2 LYS A 40 14.631 14.747 -10.636 1.00 0.00 H new ATOM 0 HE3 LYS A 40 13.866 15.868 -9.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 15.950 16.772 -10.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 16.116 16.249 -8.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 16.776 15.328 -9.806 1.00 0.00 H new ATOM 610 N TYR A 41 15.348 9.600 -5.973 1.00 0.00 N ATOM 611 CA TYR A 41 15.698 8.271 -5.484 1.00 0.00 C ATOM 612 C TYR A 41 14.452 7.406 -5.321 1.00 0.00 C ATOM 613 O TYR A 41 13.327 7.884 -5.463 1.00 0.00 O ATOM 614 CB TYR A 41 16.440 8.374 -4.150 1.00 0.00 C ATOM 615 CG TYR A 41 17.939 8.496 -4.300 1.00 0.00 C ATOM 616 CD1 TYR A 41 18.722 7.383 -4.584 1.00 0.00 C ATOM 617 CD2 TYR A 41 18.574 9.724 -4.155 1.00 0.00 C ATOM 618 CE1 TYR A 41 20.092 7.490 -4.720 1.00 0.00 C ATOM 619 CE2 TYR A 41 19.944 9.840 -4.292 1.00 0.00 C ATOM 620 CZ TYR A 41 20.699 8.720 -4.574 1.00 0.00 C ATOM 621 OH TYR A 41 22.064 8.832 -4.709 1.00 0.00 O ATOM 0 H TYR A 41 15.726 10.367 -5.417 1.00 0.00 H new ATOM 0 HA TYR A 41 16.351 7.801 -6.219 1.00 0.00 H new ATOM 0 HB2 TYR A 41 16.066 9.239 -3.602 1.00 0.00 H new ATOM 0 HB3 TYR A 41 16.214 7.493 -3.549 1.00 0.00 H new ATOM 0 HD1 TYR A 41 18.251 6.418 -4.700 1.00 0.00 H new ATOM 0 HD2 TYR A 41 17.987 10.602 -3.931 1.00 0.00 H new ATOM 0 HE1 TYR A 41 20.685 6.615 -4.940 1.00 0.00 H new ATOM 0 HE2 TYR A 41 20.421 10.802 -4.179 1.00 0.00 H new ATOM 0 HH TYR A 41 22.330 9.766 -4.577 1.00 0.00 H new ATOM 631 N SER A 42 14.663 6.128 -5.020 1.00 0.00 N ATOM 632 CA SER A 42 13.558 5.193 -4.840 1.00 0.00 C ATOM 633 C SER A 42 13.339 4.890 -3.361 1.00 0.00 C ATOM 634 O SER A 42 14.257 5.005 -2.548 1.00 0.00 O ATOM 635 CB SER A 42 13.831 3.896 -5.604 1.00 0.00 C ATOM 636 OG SER A 42 13.947 4.138 -6.995 1.00 0.00 O ATOM 0 H SER A 42 15.588 5.717 -4.896 1.00 0.00 H new ATOM 0 HA SER A 42 12.654 5.656 -5.236 1.00 0.00 H new ATOM 0 HB2 SER A 42 14.748 3.438 -5.234 1.00 0.00 H new ATOM 0 HB3 SER A 42 13.024 3.186 -5.421 1.00 0.00 H new ATOM 0 HG SER A 42 14.123 3.294 -7.460 1.00 0.00 H new ATOM 642 N THR A 43 12.115 4.501 -3.018 1.00 0.00 N ATOM 643 CA THR A 43 11.773 4.182 -1.638 1.00 0.00 C ATOM 644 C THR A 43 11.243 2.758 -1.518 1.00 0.00 C ATOM 645 O THR A 43 10.474 2.299 -2.362 1.00 0.00 O ATOM 646 CB THR A 43 10.719 5.158 -1.080 1.00 0.00 C ATOM 647 OG1 THR A 43 11.250 6.488 -1.052 1.00 0.00 O ATOM 648 CG2 THR A 43 10.290 4.749 0.321 1.00 0.00 C ATOM 0 H THR A 43 11.344 4.399 -3.678 1.00 0.00 H new ATOM 0 HA THR A 43 12.690 4.276 -1.056 1.00 0.00 H new ATOM 0 HB THR A 43 9.847 5.128 -1.733 1.00 0.00 H new ATOM 0 HG1 THR A 43 11.744 6.625 -0.217 1.00 0.00 H new ATOM 0 HG21 THR A 43 9.546 5.453 0.694 1.00 0.00 H new ATOM 0 HG22 THR A 43 9.860 3.748 0.292 1.00 0.00 H new ATOM 0 HG23 THR A 43 11.156 4.753 0.982 1.00 0.00 H new ATOM 656 N GLN A 44 11.659 2.064 -0.463 1.00 0.00 N ATOM 657 CA GLN A 44 11.226 0.691 -0.234 1.00 0.00 C ATOM 658 C GLN A 44 10.793 0.491 1.215 1.00 0.00 C ATOM 659 O GLN A 44 11.272 1.179 2.117 1.00 0.00 O ATOM 660 CB GLN A 44 12.350 -0.286 -0.582 1.00 0.00 C ATOM 661 CG GLN A 44 12.705 -0.304 -2.061 1.00 0.00 C ATOM 662 CD GLN A 44 13.725 0.756 -2.428 1.00 0.00 C ATOM 663 OE1 GLN A 44 14.632 1.057 -1.652 1.00 0.00 O ATOM 664 NE2 GLN A 44 13.581 1.329 -3.618 1.00 0.00 N ATOM 0 H GLN A 44 12.295 2.430 0.246 1.00 0.00 H new ATOM 0 HA GLN A 44 10.371 0.494 -0.880 1.00 0.00 H new ATOM 0 HB2 GLN A 44 13.238 -0.025 -0.007 1.00 0.00 H new ATOM 0 HB3 GLN A 44 12.056 -1.290 -0.275 1.00 0.00 H new ATOM 0 HG2 GLN A 44 13.096 -1.286 -2.325 1.00 0.00 H new ATOM 0 HG3 GLN A 44 11.800 -0.152 -2.650 1.00 0.00 H new ATOM 0 HE21 GLN A 44 12.814 1.049 -4.230 1.00 0.00 H new ATOM 0 HE22 GLN A 44 14.237 2.049 -3.920 1.00 0.00 H new ATOM 673 N LYS A 45 9.885 -0.454 1.431 1.00 0.00 N ATOM 674 CA LYS A 45 9.388 -0.746 2.770 1.00 0.00 C ATOM 675 C LYS A 45 8.837 -2.166 2.849 1.00 0.00 C ATOM 676 O LYS A 45 8.514 -2.774 1.828 1.00 0.00 O ATOM 677 CB LYS A 45 8.300 0.256 3.162 1.00 0.00 C ATOM 678 CG LYS A 45 8.812 1.411 4.007 1.00 0.00 C ATOM 679 CD LYS A 45 7.900 2.622 3.907 1.00 0.00 C ATOM 680 CE LYS A 45 6.614 2.417 4.694 1.00 0.00 C ATOM 681 NZ LYS A 45 6.870 2.305 6.157 1.00 0.00 N ATOM 0 H LYS A 45 9.478 -1.031 0.695 1.00 0.00 H new ATOM 0 HA LYS A 45 10.222 -0.659 3.466 1.00 0.00 H new ATOM 0 HB2 LYS A 45 7.842 0.654 2.257 1.00 0.00 H new ATOM 0 HB3 LYS A 45 7.518 -0.267 3.712 1.00 0.00 H new ATOM 0 HG2 LYS A 45 8.887 1.096 5.048 1.00 0.00 H new ATOM 0 HG3 LYS A 45 9.816 1.683 3.683 1.00 0.00 H new ATOM 0 HD2 LYS A 45 8.421 3.503 4.282 1.00 0.00 H new ATOM 0 HD3 LYS A 45 7.661 2.814 2.861 1.00 0.00 H new ATOM 0 HE2 LYS A 45 5.937 3.250 4.507 1.00 0.00 H new ATOM 0 HE3 LYS A 45 6.113 1.515 4.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 5.989 2.488 6.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 7.210 1.347 6.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 7.590 3.001 6.438 1.00 0.00 H new ATOM 695 N ILE A 46 8.733 -2.689 4.066 1.00 0.00 N ATOM 696 CA ILE A 46 8.219 -4.036 4.277 1.00 0.00 C ATOM 697 C ILE A 46 6.836 -4.003 4.920 1.00 0.00 C ATOM 698 O ILE A 46 6.560 -3.168 5.781 1.00 0.00 O ATOM 699 CB ILE A 46 9.165 -4.868 5.163 1.00 0.00 C ATOM 700 CG1 ILE A 46 10.544 -4.978 4.510 1.00 0.00 C ATOM 701 CG2 ILE A 46 8.579 -6.249 5.413 1.00 0.00 C ATOM 702 CD1 ILE A 46 10.558 -5.844 3.270 1.00 0.00 C ATOM 0 H ILE A 46 8.998 -2.200 4.921 1.00 0.00 H new ATOM 0 HA ILE A 46 8.149 -4.504 3.295 1.00 0.00 H new ATOM 0 HB ILE A 46 9.277 -4.364 6.123 1.00 0.00 H new ATOM 0 HG12 ILE A 46 10.895 -3.979 4.250 1.00 0.00 H new ATOM 0 HG13 ILE A 46 11.249 -5.384 5.235 1.00 0.00 H new ATOM 0 HG21 ILE A 46 9.259 -6.825 6.041 1.00 0.00 H new ATOM 0 HG22 ILE A 46 7.617 -6.150 5.916 1.00 0.00 H new ATOM 0 HG23 ILE A 46 8.440 -6.763 4.462 1.00 0.00 H new ATOM 0 HD11 ILE A 46 11.568 -5.877 2.860 1.00 0.00 H new ATOM 0 HD12 ILE A 46 10.238 -6.854 3.528 1.00 0.00 H new ATOM 0 HD13 ILE A 46 9.878 -5.427 2.527 1.00 0.00 H new ATOM 714 N LEU A 47 5.971 -4.919 4.497 1.00 0.00 N ATOM 715 CA LEU A 47 4.617 -4.997 5.033 1.00 0.00 C ATOM 716 C LEU A 47 4.286 -6.419 5.472 1.00 0.00 C ATOM 717 O LEU A 47 4.127 -7.316 4.642 1.00 0.00 O ATOM 718 CB LEU A 47 3.605 -4.525 3.986 1.00 0.00 C ATOM 719 CG LEU A 47 2.185 -5.072 4.131 1.00 0.00 C ATOM 720 CD1 LEU A 47 1.462 -4.382 5.277 1.00 0.00 C ATOM 721 CD2 LEU A 47 1.412 -4.902 2.831 1.00 0.00 C ATOM 0 H LEU A 47 6.184 -5.618 3.785 1.00 0.00 H new ATOM 0 HA LEU A 47 4.560 -4.345 5.905 1.00 0.00 H new ATOM 0 HB2 LEU A 47 3.559 -3.436 4.019 1.00 0.00 H new ATOM 0 HB3 LEU A 47 3.979 -4.798 2.999 1.00 0.00 H new ATOM 0 HG LEU A 47 2.248 -6.137 4.356 1.00 0.00 H new ATOM 0 HD11 LEU A 47 0.453 -4.784 5.365 1.00 0.00 H new ATOM 0 HD12 LEU A 47 2.004 -4.556 6.206 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.410 -3.311 5.082 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.403 -5.297 2.953 1.00 0.00 H new ATOM 0 HD22 LEU A 47 1.359 -3.844 2.575 1.00 0.00 H new ATOM 0 HD23 LEU A 47 1.919 -5.443 2.033 1.00 0.00 H new ATOM 733 N LEU A 48 4.181 -6.620 6.781 1.00 0.00 N ATOM 734 CA LEU A 48 3.866 -7.934 7.331 1.00 0.00 C ATOM 735 C LEU A 48 2.394 -8.274 7.119 1.00 0.00 C ATOM 736 O LEU A 48 1.535 -7.392 7.121 1.00 0.00 O ATOM 737 CB LEU A 48 4.201 -7.978 8.822 1.00 0.00 C ATOM 738 CG LEU A 48 4.320 -9.370 9.443 1.00 0.00 C ATOM 739 CD1 LEU A 48 5.759 -9.860 9.384 1.00 0.00 C ATOM 740 CD2 LEU A 48 3.817 -9.359 10.879 1.00 0.00 C ATOM 0 H LEU A 48 4.309 -5.890 7.481 1.00 0.00 H new ATOM 0 HA LEU A 48 4.470 -8.674 6.807 1.00 0.00 H new ATOM 0 HB2 LEU A 48 5.142 -7.451 8.978 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.433 -7.425 9.363 1.00 0.00 H new ATOM 0 HG LEU A 48 3.700 -10.057 8.867 1.00 0.00 H new ATOM 0 HD11 LEU A 48 5.824 -10.852 9.831 1.00 0.00 H new ATOM 0 HD12 LEU A 48 6.085 -9.908 8.345 1.00 0.00 H new ATOM 0 HD13 LEU A 48 6.401 -9.172 9.934 1.00 0.00 H new ATOM 0 HD21 LEU A 48 3.909 -10.358 11.305 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.410 -8.658 11.467 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.771 -9.053 10.896 1.00 0.00 H new ATOM 752 N VAL A 49 2.110 -9.560 6.938 1.00 0.00 N ATOM 753 CA VAL A 49 0.741 -10.018 6.728 1.00 0.00 C ATOM 754 C VAL A 49 0.516 -11.385 7.364 1.00 0.00 C ATOM 755 O VAL A 49 1.289 -12.318 7.146 1.00 0.00 O ATOM 756 CB VAL A 49 0.401 -10.100 5.228 1.00 0.00 C ATOM 757 CG1 VAL A 49 -1.098 -10.261 5.029 1.00 0.00 C ATOM 758 CG2 VAL A 49 0.915 -8.869 4.497 1.00 0.00 C ATOM 0 H VAL A 49 2.809 -10.303 6.933 1.00 0.00 H new ATOM 0 HA VAL A 49 0.086 -9.287 7.202 1.00 0.00 H new ATOM 0 HB VAL A 49 0.895 -10.976 4.808 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -1.320 -10.317 3.963 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.434 -11.175 5.518 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -1.617 -9.406 5.463 1.00 0.00 H new ATOM 0 HG21 VAL A 49 0.666 -8.944 3.438 1.00 0.00 H new ATOM 0 HG22 VAL A 49 0.451 -7.976 4.917 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.997 -8.803 4.611 1.00 0.00 H new ATOM 768 N ARG A 50 -0.548 -11.497 8.152 1.00 0.00 N ATOM 769 CA ARG A 50 -0.876 -12.750 8.821 1.00 0.00 C ATOM 770 C ARG A 50 -2.254 -13.249 8.397 1.00 0.00 C ATOM 771 O ARG A 50 -3.264 -12.585 8.630 1.00 0.00 O ATOM 772 CB ARG A 50 -0.832 -12.568 10.340 1.00 0.00 C ATOM 773 CG ARG A 50 -1.038 -13.860 11.114 1.00 0.00 C ATOM 774 CD ARG A 50 -1.664 -13.601 12.475 1.00 0.00 C ATOM 775 NE ARG A 50 -1.335 -14.649 13.437 1.00 0.00 N ATOM 776 CZ ARG A 50 -2.096 -14.950 14.484 1.00 0.00 C ATOM 777 NH1 ARG A 50 -3.223 -14.287 14.702 1.00 0.00 N ATOM 778 NH2 ARG A 50 -1.729 -15.917 15.315 1.00 0.00 N ATOM 0 H ARG A 50 -1.198 -10.735 8.343 1.00 0.00 H new ATOM 0 HA ARG A 50 -0.134 -13.494 8.529 1.00 0.00 H new ATOM 0 HB2 ARG A 50 0.130 -12.137 10.618 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -1.599 -11.852 10.634 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -1.677 -14.531 10.540 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -0.080 -14.365 11.243 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -1.320 -12.639 12.855 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -2.747 -13.533 12.369 1.00 0.00 H new ATOM 0 HE ARG A 50 -0.475 -15.179 13.298 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -3.508 -13.543 14.065 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -3.805 -14.521 15.507 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -0.863 -16.429 15.150 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -2.313 -16.148 16.119 1.00 0.00 H new ATOM 792 N ASN A 51 -2.287 -14.422 7.774 1.00 0.00 N ATOM 793 CA ASN A 51 -3.541 -15.009 7.316 1.00 0.00 C ATOM 794 C ASN A 51 -4.444 -15.354 8.497 1.00 0.00 C ATOM 795 O ASN A 51 -4.239 -16.362 9.174 1.00 0.00 O ATOM 796 CB ASN A 51 -3.268 -16.264 6.486 1.00 0.00 C ATOM 797 CG ASN A 51 -4.512 -16.778 5.787 1.00 0.00 C ATOM 798 OD1 ASN A 51 -5.560 -16.133 5.808 1.00 0.00 O ATOM 799 ND2 ASN A 51 -4.401 -17.946 5.164 1.00 0.00 N ATOM 0 H ASN A 51 -1.460 -14.985 7.575 1.00 0.00 H new ATOM 0 HA ASN A 51 -4.051 -14.274 6.694 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -2.501 -16.045 5.743 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -2.870 -17.045 7.134 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -5.205 -18.343 4.677 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -3.512 -18.446 5.173 1.00 0.00 H new ATOM 806 N ILE A 52 -5.442 -14.510 8.738 1.00 0.00 N ATOM 807 CA ILE A 52 -6.376 -14.727 9.835 1.00 0.00 C ATOM 808 C ILE A 52 -7.588 -15.530 9.376 1.00 0.00 C ATOM 809 O ILE A 52 -8.584 -15.635 10.090 1.00 0.00 O ATOM 810 CB ILE A 52 -6.857 -13.393 10.437 1.00 0.00 C ATOM 811 CG1 ILE A 52 -7.524 -12.534 9.361 1.00 0.00 C ATOM 812 CG2 ILE A 52 -5.691 -12.647 11.070 1.00 0.00 C ATOM 813 CD1 ILE A 52 -8.170 -11.279 9.904 1.00 0.00 C ATOM 0 H ILE A 52 -5.624 -13.670 8.188 1.00 0.00 H new ATOM 0 HA ILE A 52 -5.839 -15.289 10.599 1.00 0.00 H new ATOM 0 HB ILE A 52 -7.592 -13.606 11.213 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -6.779 -12.256 8.616 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -8.280 -13.130 8.849 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -6.046 -11.706 11.491 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -5.255 -13.257 11.861 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -4.935 -12.442 10.312 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -8.623 -10.719 9.085 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -8.939 -11.549 10.628 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -7.415 -10.662 10.391 1.00 0.00 H new ATOM 825 N GLY A 53 -7.495 -16.098 8.177 1.00 0.00 N ATOM 826 CA GLY A 53 -8.590 -16.886 7.642 1.00 0.00 C ATOM 827 C GLY A 53 -8.617 -18.295 8.202 1.00 0.00 C ATOM 828 O GLY A 53 -7.941 -18.592 9.186 1.00 0.00 O ATOM 0 H GLY A 53 -6.681 -16.026 7.567 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -9.534 -16.390 7.867 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -8.505 -16.931 6.556 1.00 0.00 H new ATOM 832 N ASN A 54 -9.403 -19.164 7.575 1.00 0.00 N ATOM 833 CA ASN A 54 -9.518 -20.549 8.019 1.00 0.00 C ATOM 834 C ASN A 54 -8.980 -21.505 6.960 1.00 0.00 C ATOM 835 O ASN A 54 -9.266 -22.703 6.985 1.00 0.00 O ATOM 836 CB ASN A 54 -10.977 -20.886 8.333 1.00 0.00 C ATOM 837 CG ASN A 54 -11.919 -20.469 7.220 1.00 0.00 C ATOM 838 OD1 ASN A 54 -11.520 -19.785 6.277 1.00 0.00 O ATOM 839 ND2 ASN A 54 -13.177 -20.882 7.324 1.00 0.00 N ATOM 0 H ASN A 54 -9.969 -18.934 6.758 1.00 0.00 H new ATOM 0 HA ASN A 54 -8.922 -20.665 8.924 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -11.071 -21.959 8.502 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -11.270 -20.391 9.258 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -13.856 -20.634 6.605 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -13.464 -21.447 8.123 1.00 0.00 H new ATOM 846 N LYS A 55 -8.197 -20.969 6.029 1.00 0.00 N ATOM 847 CA LYS A 55 -7.616 -21.774 4.961 1.00 0.00 C ATOM 848 C LYS A 55 -6.551 -20.986 4.204 1.00 0.00 C ATOM 849 O LYS A 55 -6.435 -19.772 4.362 1.00 0.00 O ATOM 850 CB LYS A 55 -8.706 -22.239 3.993 1.00 0.00 C ATOM 851 CG LYS A 55 -8.457 -23.620 3.413 1.00 0.00 C ATOM 852 CD LYS A 55 -8.677 -24.708 4.451 1.00 0.00 C ATOM 853 CE LYS A 55 -10.157 -24.978 4.671 1.00 0.00 C ATOM 854 NZ LYS A 55 -10.381 -26.134 5.583 1.00 0.00 N ATOM 0 H LYS A 55 -7.950 -19.980 5.993 1.00 0.00 H new ATOM 0 HA LYS A 55 -7.145 -22.647 5.413 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -9.665 -22.240 4.512 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -8.786 -21.521 3.177 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -9.122 -23.785 2.565 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -7.437 -23.678 3.034 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -8.183 -25.625 4.129 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -8.216 -24.412 5.393 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -10.630 -24.089 5.089 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -10.637 -25.174 3.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -11.402 -26.285 5.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -9.952 -26.988 5.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -9.945 -25.937 6.507 1.00 0.00 H new ATOM 868 N ASN A 56 -5.778 -21.686 3.381 1.00 0.00 N ATOM 869 CA ASN A 56 -4.723 -21.051 2.598 1.00 0.00 C ATOM 870 C ASN A 56 -5.268 -19.858 1.819 1.00 0.00 C ATOM 871 O ASN A 56 -6.061 -20.019 0.892 1.00 0.00 O ATOM 872 CB ASN A 56 -4.096 -22.061 1.634 1.00 0.00 C ATOM 873 CG ASN A 56 -4.908 -22.228 0.364 1.00 0.00 C ATOM 874 OD1 ASN A 56 -5.991 -22.813 0.379 1.00 0.00 O ATOM 875 ND2 ASN A 56 -4.385 -21.715 -0.743 1.00 0.00 N ATOM 0 H ASN A 56 -5.862 -22.693 3.238 1.00 0.00 H new ATOM 0 HA ASN A 56 -3.958 -20.694 3.287 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -3.088 -21.737 1.377 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -4.003 -23.026 2.132 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -4.884 -21.798 -1.629 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -3.484 -21.238 -0.708 1.00 0.00 H new ATOM 882 N ALA A 57 -4.835 -18.661 2.202 1.00 0.00 N ATOM 883 CA ALA A 57 -5.276 -17.441 1.538 1.00 0.00 C ATOM 884 C ALA A 57 -4.440 -17.160 0.294 1.00 0.00 C ATOM 885 O ALA A 57 -3.220 -17.320 0.305 1.00 0.00 O ATOM 886 CB ALA A 57 -5.209 -16.263 2.499 1.00 0.00 C ATOM 0 H ALA A 57 -4.179 -18.511 2.969 1.00 0.00 H new ATOM 0 HA ALA A 57 -6.310 -17.581 1.224 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -5.541 -15.358 1.990 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -5.855 -16.455 3.356 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -4.183 -16.130 2.841 1.00 0.00 H new ATOM 892 N VAL A 58 -5.105 -16.740 -0.778 1.00 0.00 N ATOM 893 CA VAL A 58 -4.423 -16.435 -2.030 1.00 0.00 C ATOM 894 C VAL A 58 -4.795 -15.046 -2.535 1.00 0.00 C ATOM 895 O VAL A 58 -5.873 -14.845 -3.094 1.00 0.00 O ATOM 896 CB VAL A 58 -4.759 -17.472 -3.118 1.00 0.00 C ATOM 897 CG1 VAL A 58 -4.069 -17.116 -4.426 1.00 0.00 C ATOM 898 CG2 VAL A 58 -4.366 -18.869 -2.662 1.00 0.00 C ATOM 0 H VAL A 58 -6.115 -16.603 -0.804 1.00 0.00 H new ATOM 0 HA VAL A 58 -3.353 -16.468 -1.824 1.00 0.00 H new ATOM 0 HB VAL A 58 -5.836 -17.459 -3.287 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -4.318 -17.860 -5.183 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -4.404 -16.134 -4.759 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -2.990 -17.099 -4.275 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -4.611 -19.589 -3.443 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -3.295 -18.899 -2.463 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -4.911 -19.122 -1.752 1.00 0.00 H new ATOM 908 N PHE A 59 -3.895 -14.089 -2.334 1.00 0.00 N ATOM 909 CA PHE A 59 -4.128 -12.717 -2.769 1.00 0.00 C ATOM 910 C PHE A 59 -3.215 -12.354 -3.937 1.00 0.00 C ATOM 911 O PHE A 59 -2.088 -12.839 -4.033 1.00 0.00 O ATOM 912 CB PHE A 59 -3.900 -11.746 -1.608 1.00 0.00 C ATOM 913 CG PHE A 59 -2.507 -11.795 -1.050 1.00 0.00 C ATOM 914 CD1 PHE A 59 -2.116 -12.833 -0.219 1.00 0.00 C ATOM 915 CD2 PHE A 59 -1.588 -10.804 -1.356 1.00 0.00 C ATOM 916 CE1 PHE A 59 -0.834 -12.882 0.296 1.00 0.00 C ATOM 917 CE2 PHE A 59 -0.305 -10.848 -0.844 1.00 0.00 C ATOM 918 CZ PHE A 59 0.072 -11.887 -0.016 1.00 0.00 C ATOM 0 H PHE A 59 -2.998 -14.239 -1.873 1.00 0.00 H new ATOM 0 HA PHE A 59 -5.163 -12.639 -3.102 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -4.112 -10.732 -1.946 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -4.610 -11.971 -0.812 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -2.821 -13.613 0.029 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -1.878 -9.988 -2.002 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -0.541 -13.697 0.941 1.00 0.00 H new ATOM 0 HE2 PHE A 59 0.402 -10.070 -1.091 1.00 0.00 H new ATOM 0 HZ PHE A 59 1.073 -11.922 0.387 1.00 0.00 H new ATOM 928 N HIS A 60 -3.712 -11.497 -4.824 1.00 0.00 N ATOM 929 CA HIS A 60 -2.942 -11.068 -5.987 1.00 0.00 C ATOM 930 C HIS A 60 -3.054 -9.560 -6.185 1.00 0.00 C ATOM 931 O HIS A 60 -4.062 -9.063 -6.688 1.00 0.00 O ATOM 932 CB HIS A 60 -3.425 -11.797 -7.241 1.00 0.00 C ATOM 933 CG HIS A 60 -2.550 -11.574 -8.437 1.00 0.00 C ATOM 934 ND1 HIS A 60 -2.589 -12.377 -9.557 1.00 0.00 N ATOM 935 CD2 HIS A 60 -1.611 -10.632 -8.683 1.00 0.00 C ATOM 936 CE1 HIS A 60 -1.710 -11.939 -10.440 1.00 0.00 C ATOM 937 NE2 HIS A 60 -1.104 -10.880 -9.935 1.00 0.00 N ATOM 0 H HIS A 60 -4.643 -11.086 -4.760 1.00 0.00 H new ATOM 0 HA HIS A 60 -1.895 -11.317 -5.812 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -3.477 -12.866 -7.033 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -4.438 -11.468 -7.475 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -1.315 -9.834 -8.019 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -1.519 -12.373 -11.410 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -0.378 -10.335 -10.399 1.00 0.00 H new ATOM 946 N ILE A 61 -2.012 -8.837 -5.787 1.00 0.00 N ATOM 947 CA ILE A 61 -1.993 -7.386 -5.922 1.00 0.00 C ATOM 948 C ILE A 61 -1.687 -6.971 -7.357 1.00 0.00 C ATOM 949 O ILE A 61 -0.954 -7.657 -8.071 1.00 0.00 O ATOM 950 CB ILE A 61 -0.955 -6.746 -4.982 1.00 0.00 C ATOM 951 CG1 ILE A 61 -1.136 -7.269 -3.555 1.00 0.00 C ATOM 952 CG2 ILE A 61 -1.073 -5.230 -5.015 1.00 0.00 C ATOM 953 CD1 ILE A 61 0.053 -7.002 -2.658 1.00 0.00 C ATOM 0 H ILE A 61 -1.170 -9.233 -5.369 1.00 0.00 H new ATOM 0 HA ILE A 61 -2.986 -7.031 -5.648 1.00 0.00 H new ATOM 0 HB ILE A 61 0.042 -7.020 -5.326 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -2.022 -6.808 -3.117 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.320 -8.343 -3.591 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -0.332 -4.793 -4.345 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -0.899 -4.874 -6.030 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -2.072 -4.936 -4.693 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.145 -7.400 -1.663 1.00 0.00 H new ATOM 0 HD12 ILE A 61 0.937 -7.486 -3.072 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.225 -5.928 -2.592 1.00 0.00 H new ATOM 965 N LYS A 62 -2.252 -5.843 -7.774 1.00 0.00 N ATOM 966 CA LYS A 62 -2.037 -5.333 -9.124 1.00 0.00 C ATOM 967 C LYS A 62 -1.792 -3.828 -9.104 1.00 0.00 C ATOM 968 O LYS A 62 -2.612 -3.061 -8.597 1.00 0.00 O ATOM 969 CB LYS A 62 -3.244 -5.652 -10.009 1.00 0.00 C ATOM 970 CG LYS A 62 -3.126 -6.977 -10.743 1.00 0.00 C ATOM 971 CD LYS A 62 -2.195 -6.870 -11.940 1.00 0.00 C ATOM 972 CE LYS A 62 -2.425 -8.004 -12.927 1.00 0.00 C ATOM 973 NZ LYS A 62 -1.572 -9.186 -12.622 1.00 0.00 N ATOM 0 H LYS A 62 -2.862 -5.264 -7.197 1.00 0.00 H new ATOM 0 HA LYS A 62 -1.153 -5.822 -9.534 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -4.143 -5.666 -9.392 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -3.371 -4.852 -10.738 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -2.755 -7.741 -10.060 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -4.113 -7.299 -11.076 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -2.351 -5.914 -12.440 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -1.160 -6.887 -11.600 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -3.474 -8.298 -12.904 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -2.213 -7.654 -13.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -1.841 -9.977 -13.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -0.573 -8.944 -12.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -1.705 -9.463 -11.628 1.00 0.00 H new ATOM 987 N THR A 63 -0.659 -3.409 -9.660 1.00 0.00 N ATOM 988 CA THR A 63 -0.307 -1.996 -9.706 1.00 0.00 C ATOM 989 C THR A 63 0.822 -1.743 -10.699 1.00 0.00 C ATOM 990 O THR A 63 1.463 -2.680 -11.176 1.00 0.00 O ATOM 991 CB THR A 63 0.118 -1.477 -8.320 1.00 0.00 C ATOM 992 OG1 THR A 63 0.161 -0.046 -8.324 1.00 0.00 O ATOM 993 CG2 THR A 63 1.481 -2.029 -7.930 1.00 0.00 C ATOM 0 H THR A 63 0.030 -4.029 -10.085 1.00 0.00 H new ATOM 0 HA THR A 63 -1.199 -1.459 -10.029 1.00 0.00 H new ATOM 0 HB THR A 63 -0.617 -1.816 -7.589 1.00 0.00 H new ATOM 0 HG1 THR A 63 0.431 0.276 -7.438 1.00 0.00 H new ATOM 0 HG21 THR A 63 1.760 -1.649 -6.947 1.00 0.00 H new ATOM 0 HG22 THR A 63 1.437 -3.118 -7.899 1.00 0.00 H new ATOM 0 HG23 THR A 63 2.224 -1.717 -8.664 1.00 0.00 H new ATOM 1001 N CYS A 64 1.060 -0.473 -11.005 1.00 0.00 N ATOM 1002 CA CYS A 64 2.113 -0.097 -11.942 1.00 0.00 C ATOM 1003 C CYS A 64 2.902 1.100 -11.422 1.00 0.00 C ATOM 1004 O CYS A 64 2.432 1.836 -10.554 1.00 0.00 O ATOM 1005 CB CYS A 64 1.514 0.228 -13.311 1.00 0.00 C ATOM 1006 SG CYS A 64 0.650 -1.159 -14.086 1.00 0.00 S ATOM 0 H CYS A 64 0.539 0.314 -10.618 1.00 0.00 H new ATOM 0 HA CYS A 64 2.794 -0.942 -12.043 1.00 0.00 H new ATOM 0 HB2 CYS A 64 0.819 1.061 -13.203 1.00 0.00 H new ATOM 0 HB3 CYS A 64 2.311 0.562 -13.975 1.00 0.00 H new ATOM 0 HG CYS A 64 0.177 -0.786 -15.238 1.00 0.00 H new ATOM 1012 N ARG A 65 4.104 1.288 -11.957 1.00 0.00 N ATOM 1013 CA ARG A 65 4.959 2.394 -11.544 1.00 0.00 C ATOM 1014 C ARG A 65 4.208 3.720 -11.619 1.00 0.00 C ATOM 1015 O ARG A 65 3.225 3.864 -12.347 1.00 0.00 O ATOM 1016 CB ARG A 65 6.210 2.455 -12.423 1.00 0.00 C ATOM 1017 CG ARG A 65 5.907 2.539 -13.910 1.00 0.00 C ATOM 1018 CD ARG A 65 7.181 2.643 -14.733 1.00 0.00 C ATOM 1019 NE ARG A 65 7.851 1.353 -14.870 1.00 0.00 N ATOM 1020 CZ ARG A 65 9.142 1.222 -15.154 1.00 0.00 C ATOM 1021 NH1 ARG A 65 9.898 2.296 -15.331 1.00 0.00 N ATOM 1022 NH2 ARG A 65 9.679 0.013 -15.262 1.00 0.00 N ATOM 0 H ARG A 65 4.507 0.689 -12.677 1.00 0.00 H new ATOM 0 HA ARG A 65 5.257 2.223 -10.510 1.00 0.00 H new ATOM 0 HB2 ARG A 65 6.806 3.321 -12.133 1.00 0.00 H new ATOM 0 HB3 ARG A 65 6.819 1.571 -12.235 1.00 0.00 H new ATOM 0 HG2 ARG A 65 5.344 1.658 -14.218 1.00 0.00 H new ATOM 0 HG3 ARG A 65 5.275 3.405 -14.105 1.00 0.00 H new ATOM 0 HD2 ARG A 65 6.943 3.034 -15.722 1.00 0.00 H new ATOM 0 HD3 ARG A 65 7.859 3.355 -14.263 1.00 0.00 H new ATOM 0 HE ARG A 65 7.297 0.506 -14.741 1.00 0.00 H new ATOM 0 HH11 ARG A 65 9.489 3.227 -15.249 1.00 0.00 H new ATOM 0 HH12 ARG A 65 10.889 2.192 -15.549 1.00 0.00 H new ATOM 0 HH21 ARG A 65 9.100 -0.816 -15.127 1.00 0.00 H new ATOM 0 HH22 ARG A 65 10.670 -0.087 -15.480 1.00 0.00 H new ATOM 1036 N PRO A 66 4.679 4.712 -10.849 1.00 0.00 N ATOM 1037 CA PRO A 66 5.847 4.551 -9.978 1.00 0.00 C ATOM 1038 C PRO A 66 5.566 3.633 -8.794 1.00 0.00 C ATOM 1039 O PRO A 66 6.447 3.372 -7.974 1.00 0.00 O ATOM 1040 CB PRO A 66 6.128 5.976 -9.495 1.00 0.00 C ATOM 1041 CG PRO A 66 4.815 6.674 -9.589 1.00 0.00 C ATOM 1042 CD PRO A 66 4.107 6.066 -10.768 1.00 0.00 C ATOM 0 HA PRO A 66 6.685 4.090 -10.501 1.00 0.00 H new ATOM 0 HB2 PRO A 66 6.506 5.980 -8.473 1.00 0.00 H new ATOM 0 HB3 PRO A 66 6.881 6.463 -10.115 1.00 0.00 H new ATOM 0 HG2 PRO A 66 4.236 6.541 -8.675 1.00 0.00 H new ATOM 0 HG3 PRO A 66 4.952 7.747 -9.727 1.00 0.00 H new ATOM 0 HD2 PRO A 66 3.028 6.038 -10.618 1.00 0.00 H new ATOM 0 HD3 PRO A 66 4.287 6.633 -11.681 1.00 0.00 H new ATOM 1050 N PHE A 67 4.333 3.145 -8.709 1.00 0.00 N ATOM 1051 CA PHE A 67 3.936 2.255 -7.624 1.00 0.00 C ATOM 1052 C PHE A 67 4.065 0.794 -8.044 1.00 0.00 C ATOM 1053 O PHE A 67 3.445 0.358 -9.013 1.00 0.00 O ATOM 1054 CB PHE A 67 2.496 2.549 -7.197 1.00 0.00 C ATOM 1055 CG PHE A 67 2.390 3.609 -6.138 1.00 0.00 C ATOM 1056 CD1 PHE A 67 3.145 3.529 -4.980 1.00 0.00 C ATOM 1057 CD2 PHE A 67 1.533 4.686 -6.301 1.00 0.00 C ATOM 1058 CE1 PHE A 67 3.050 4.502 -4.004 1.00 0.00 C ATOM 1059 CE2 PHE A 67 1.434 5.663 -5.329 1.00 0.00 C ATOM 1060 CZ PHE A 67 2.192 5.571 -4.178 1.00 0.00 C ATOM 0 H PHE A 67 3.591 3.351 -9.378 1.00 0.00 H new ATOM 0 HA PHE A 67 4.602 2.432 -6.780 1.00 0.00 H new ATOM 0 HB2 PHE A 67 1.923 2.860 -8.070 1.00 0.00 H new ATOM 0 HB3 PHE A 67 2.040 1.630 -6.827 1.00 0.00 H new ATOM 0 HD1 PHE A 67 3.817 2.695 -4.838 1.00 0.00 H new ATOM 0 HD2 PHE A 67 0.936 4.762 -7.198 1.00 0.00 H new ATOM 0 HE1 PHE A 67 3.646 4.427 -3.106 1.00 0.00 H new ATOM 0 HE2 PHE A 67 0.764 6.498 -5.469 1.00 0.00 H new ATOM 0 HZ PHE A 67 2.114 6.333 -3.416 1.00 0.00 H new ATOM 1070 N SER A 68 4.877 0.043 -7.306 1.00 0.00 N ATOM 1071 CA SER A 68 5.092 -1.369 -7.603 1.00 0.00 C ATOM 1072 C SER A 68 5.531 -2.126 -6.353 1.00 0.00 C ATOM 1073 O SER A 68 6.226 -1.580 -5.496 1.00 0.00 O ATOM 1074 CB SER A 68 6.144 -1.525 -8.704 1.00 0.00 C ATOM 1075 OG SER A 68 5.706 -0.935 -9.915 1.00 0.00 O ATOM 0 H SER A 68 5.396 0.388 -6.499 1.00 0.00 H new ATOM 0 HA SER A 68 4.148 -1.791 -7.949 1.00 0.00 H new ATOM 0 HB2 SER A 68 7.078 -1.061 -8.387 1.00 0.00 H new ATOM 0 HB3 SER A 68 6.352 -2.583 -8.865 1.00 0.00 H new ATOM 0 HG SER A 68 4.814 -0.549 -9.787 1.00 0.00 H new ATOM 1081 N ILE A 69 5.120 -3.386 -6.258 1.00 0.00 N ATOM 1082 CA ILE A 69 5.471 -4.219 -5.115 1.00 0.00 C ATOM 1083 C ILE A 69 5.863 -5.624 -5.558 1.00 0.00 C ATOM 1084 O ILE A 69 5.559 -6.040 -6.676 1.00 0.00 O ATOM 1085 CB ILE A 69 4.307 -4.316 -4.110 1.00 0.00 C ATOM 1086 CG1 ILE A 69 3.354 -5.445 -4.508 1.00 0.00 C ATOM 1087 CG2 ILE A 69 3.564 -2.991 -4.032 1.00 0.00 C ATOM 1088 CD1 ILE A 69 2.783 -5.291 -5.901 1.00 0.00 C ATOM 0 H ILE A 69 4.544 -3.852 -6.959 1.00 0.00 H new ATOM 0 HA ILE A 69 6.322 -3.743 -4.628 1.00 0.00 H new ATOM 0 HB ILE A 69 4.714 -4.541 -3.124 1.00 0.00 H new ATOM 0 HG12 ILE A 69 3.883 -6.396 -4.444 1.00 0.00 H new ATOM 0 HG13 ILE A 69 2.534 -5.488 -3.791 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.745 -3.075 -3.318 1.00 0.00 H new ATOM 0 HG22 ILE A 69 4.249 -2.208 -3.707 1.00 0.00 H new ATOM 0 HG23 ILE A 69 3.165 -2.739 -5.015 1.00 0.00 H new ATOM 0 HD11 ILE A 69 2.117 -6.126 -6.115 1.00 0.00 H new ATOM 0 HD12 ILE A 69 2.225 -4.357 -5.964 1.00 0.00 H new ATOM 0 HD13 ILE A 69 3.595 -5.279 -6.628 1.00 0.00 H new ATOM 1100 N GLU A 70 6.539 -6.351 -4.673 1.00 0.00 N ATOM 1101 CA GLU A 70 6.971 -7.711 -4.974 1.00 0.00 C ATOM 1102 C GLU A 70 7.217 -8.500 -3.691 1.00 0.00 C ATOM 1103 O GLU A 70 7.773 -7.992 -2.717 1.00 0.00 O ATOM 1104 CB GLU A 70 8.244 -7.689 -5.824 1.00 0.00 C ATOM 1105 CG GLU A 70 9.176 -8.857 -5.554 1.00 0.00 C ATOM 1106 CD GLU A 70 10.003 -9.236 -6.768 1.00 0.00 C ATOM 1107 OE1 GLU A 70 10.455 -8.321 -7.488 1.00 0.00 O ATOM 1108 OE2 GLU A 70 10.199 -10.448 -6.997 1.00 0.00 O ATOM 0 H GLU A 70 6.799 -6.021 -3.743 1.00 0.00 H new ATOM 0 HA GLU A 70 6.176 -8.202 -5.535 1.00 0.00 H new ATOM 0 HB2 GLU A 70 7.967 -7.692 -6.878 1.00 0.00 H new ATOM 0 HB3 GLU A 70 8.779 -6.758 -5.638 1.00 0.00 H new ATOM 0 HG2 GLU A 70 9.843 -8.602 -4.730 1.00 0.00 H new ATOM 0 HG3 GLU A 70 8.590 -9.719 -5.235 1.00 0.00 H new ATOM 1115 N PRO A 71 6.793 -9.772 -3.689 1.00 0.00 N ATOM 1116 CA PRO A 71 6.130 -10.387 -4.843 1.00 0.00 C ATOM 1117 C PRO A 71 4.735 -9.820 -5.080 1.00 0.00 C ATOM 1118 O PRO A 71 4.015 -9.501 -4.134 1.00 0.00 O ATOM 1119 CB PRO A 71 6.047 -11.867 -4.457 1.00 0.00 C ATOM 1120 CG PRO A 71 6.066 -11.871 -2.968 1.00 0.00 C ATOM 1121 CD PRO A 71 6.928 -10.708 -2.561 1.00 0.00 C ATOM 0 HA PRO A 71 6.673 -10.204 -5.770 1.00 0.00 H new ATOM 0 HB2 PRO A 71 5.137 -12.326 -4.843 1.00 0.00 H new ATOM 0 HB3 PRO A 71 6.886 -12.430 -4.865 1.00 0.00 H new ATOM 0 HG2 PRO A 71 5.058 -11.770 -2.565 1.00 0.00 H new ATOM 0 HG3 PRO A 71 6.470 -12.808 -2.586 1.00 0.00 H new ATOM 0 HD2 PRO A 71 6.587 -10.263 -1.626 1.00 0.00 H new ATOM 0 HD3 PRO A 71 7.965 -11.009 -2.411 1.00 0.00 H new ATOM 1129 N ALA A 72 4.358 -9.697 -6.349 1.00 0.00 N ATOM 1130 CA ALA A 72 3.048 -9.170 -6.709 1.00 0.00 C ATOM 1131 C ALA A 72 1.934 -10.091 -6.224 1.00 0.00 C ATOM 1132 O ALA A 72 0.821 -9.642 -5.947 1.00 0.00 O ATOM 1133 CB ALA A 72 2.954 -8.973 -8.215 1.00 0.00 C ATOM 0 H ALA A 72 4.942 -9.955 -7.144 1.00 0.00 H new ATOM 0 HA ALA A 72 2.925 -8.204 -6.219 1.00 0.00 H new ATOM 0 HB1 ALA A 72 1.970 -8.579 -8.470 1.00 0.00 H new ATOM 0 HB2 ALA A 72 3.721 -8.270 -8.539 1.00 0.00 H new ATOM 0 HB3 ALA A 72 3.103 -9.929 -8.717 1.00 0.00 H new ATOM 1139 N ILE A 73 2.239 -11.381 -6.125 1.00 0.00 N ATOM 1140 CA ILE A 73 1.263 -12.364 -5.673 1.00 0.00 C ATOM 1141 C ILE A 73 1.918 -13.426 -4.795 1.00 0.00 C ATOM 1142 O ILE A 73 3.076 -13.787 -5.000 1.00 0.00 O ATOM 1143 CB ILE A 73 0.567 -13.054 -6.861 1.00 0.00 C ATOM 1144 CG1 ILE A 73 -0.278 -14.232 -6.371 1.00 0.00 C ATOM 1145 CG2 ILE A 73 1.596 -13.520 -7.879 1.00 0.00 C ATOM 1146 CD1 ILE A 73 -1.204 -14.792 -7.428 1.00 0.00 C ATOM 0 H ILE A 73 3.155 -11.769 -6.352 1.00 0.00 H new ATOM 0 HA ILE A 73 0.517 -11.823 -5.090 1.00 0.00 H new ATOM 0 HB ILE A 73 -0.093 -12.334 -7.345 1.00 0.00 H new ATOM 0 HG12 ILE A 73 0.385 -15.024 -6.023 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -0.870 -13.912 -5.513 1.00 0.00 H new ATOM 0 HG21 ILE A 73 1.089 -14.006 -8.713 1.00 0.00 H new ATOM 0 HG22 ILE A 73 2.159 -12.662 -8.247 1.00 0.00 H new ATOM 0 HG23 ILE A 73 2.279 -14.227 -7.408 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.772 -15.624 -7.011 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -1.891 -14.013 -7.759 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -0.617 -15.143 -8.277 1.00 0.00 H new ATOM 1158 N GLY A 74 1.167 -13.923 -3.817 1.00 0.00 N ATOM 1159 CA GLY A 74 1.690 -14.940 -2.924 1.00 0.00 C ATOM 1160 C GLY A 74 0.601 -15.620 -2.118 1.00 0.00 C ATOM 1161 O GLY A 74 -0.540 -15.158 -2.087 1.00 0.00 O ATOM 0 H GLY A 74 0.206 -13.639 -3.627 1.00 0.00 H new ATOM 0 HA2 GLY A 74 2.228 -15.688 -3.506 1.00 0.00 H new ATOM 0 HA3 GLY A 74 2.411 -14.486 -2.244 1.00 0.00 H new ATOM 1165 N THR A 75 0.952 -16.722 -1.463 1.00 0.00 N ATOM 1166 CA THR A 75 -0.004 -17.469 -0.655 1.00 0.00 C ATOM 1167 C THR A 75 0.454 -17.558 0.796 1.00 0.00 C ATOM 1168 O THR A 75 1.613 -17.869 1.074 1.00 0.00 O ATOM 1169 CB THR A 75 -0.212 -18.893 -1.204 1.00 0.00 C ATOM 1170 OG1 THR A 75 1.052 -19.547 -1.362 1.00 0.00 O ATOM 1171 CG2 THR A 75 -0.941 -18.857 -2.539 1.00 0.00 C ATOM 0 H THR A 75 1.892 -17.117 -1.476 1.00 0.00 H new ATOM 0 HA THR A 75 -0.949 -16.928 -0.702 1.00 0.00 H new ATOM 0 HB THR A 75 -0.821 -19.448 -0.491 1.00 0.00 H new ATOM 0 HG1 THR A 75 0.911 -20.452 -1.710 1.00 0.00 H new ATOM 0 HG21 THR A 75 -1.076 -19.874 -2.907 1.00 0.00 H new ATOM 0 HG22 THR A 75 -1.915 -18.385 -2.409 1.00 0.00 H new ATOM 0 HG23 THR A 75 -0.354 -18.286 -3.259 1.00 0.00 H new ATOM 1179 N LEU A 76 -0.462 -17.284 1.718 1.00 0.00 N ATOM 1180 CA LEU A 76 -0.153 -17.333 3.143 1.00 0.00 C ATOM 1181 C LEU A 76 -1.081 -18.303 3.868 1.00 0.00 C ATOM 1182 O LEU A 76 -2.275 -18.366 3.580 1.00 0.00 O ATOM 1183 CB LEU A 76 -0.271 -15.939 3.760 1.00 0.00 C ATOM 1184 CG LEU A 76 0.226 -15.797 5.199 1.00 0.00 C ATOM 1185 CD1 LEU A 76 1.727 -16.029 5.271 1.00 0.00 C ATOM 1186 CD2 LEU A 76 -0.131 -14.426 5.754 1.00 0.00 C ATOM 0 H LEU A 76 -1.425 -17.025 1.504 1.00 0.00 H new ATOM 0 HA LEU A 76 0.872 -17.687 3.255 1.00 0.00 H new ATOM 0 HB2 LEU A 76 0.283 -15.239 3.135 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -1.318 -15.636 3.727 1.00 0.00 H new ATOM 0 HG LEU A 76 -0.267 -16.553 5.809 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.062 -15.924 6.303 1.00 0.00 H new ATOM 0 HD12 LEU A 76 1.957 -17.033 4.915 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.239 -15.297 4.647 1.00 0.00 H new ATOM 0 HD21 LEU A 76 0.231 -14.343 6.779 1.00 0.00 H new ATOM 0 HD22 LEU A 76 0.334 -13.653 5.142 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -1.213 -14.298 5.740 1.00 0.00 H new ATOM 1198 N ASN A 77 -0.523 -19.055 4.811 1.00 0.00 N ATOM 1199 CA ASN A 77 -1.301 -20.020 5.579 1.00 0.00 C ATOM 1200 C ASN A 77 -1.749 -19.422 6.909 1.00 0.00 C ATOM 1201 O ASN A 77 -1.099 -18.527 7.450 1.00 0.00 O ATOM 1202 CB ASN A 77 -0.479 -21.287 5.827 1.00 0.00 C ATOM 1203 CG ASN A 77 0.377 -21.664 4.634 1.00 0.00 C ATOM 1204 OD1 ASN A 77 -0.060 -21.564 3.487 1.00 0.00 O ATOM 1205 ND2 ASN A 77 1.603 -22.100 4.899 1.00 0.00 N ATOM 0 H ASN A 77 0.465 -19.015 5.062 1.00 0.00 H new ATOM 0 HA ASN A 77 -2.188 -20.278 5.000 1.00 0.00 H new ATOM 0 HB2 ASN A 77 0.161 -21.137 6.697 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -1.151 -22.112 6.064 1.00 0.00 H new ATOM 0 HD21 ASN A 77 2.225 -22.368 4.136 1.00 0.00 H new ATOM 0 HD22 ASN A 77 1.923 -22.167 5.865 1.00 0.00 H new ATOM 1212 N VAL A 78 -2.863 -19.924 7.432 1.00 0.00 N ATOM 1213 CA VAL A 78 -3.398 -19.441 8.700 1.00 0.00 C ATOM 1214 C VAL A 78 -2.409 -19.673 9.837 1.00 0.00 C ATOM 1215 O VAL A 78 -1.674 -20.659 9.844 1.00 0.00 O ATOM 1216 CB VAL A 78 -4.731 -20.131 9.046 1.00 0.00 C ATOM 1217 CG1 VAL A 78 -5.610 -20.244 7.810 1.00 0.00 C ATOM 1218 CG2 VAL A 78 -4.479 -21.500 9.658 1.00 0.00 C ATOM 0 H VAL A 78 -3.413 -20.665 6.997 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.570 -18.371 8.584 1.00 0.00 H new ATOM 0 HB VAL A 78 -5.256 -19.521 9.781 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -6.547 -20.734 8.074 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -5.819 -19.248 7.420 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.095 -20.831 7.050 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -5.432 -21.973 9.896 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -3.933 -22.121 8.948 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -3.891 -21.389 10.569 1.00 0.00 H new ATOM 1228 N GLY A 79 -2.396 -18.755 10.799 1.00 0.00 N ATOM 1229 CA GLY A 79 -1.494 -18.877 11.929 1.00 0.00 C ATOM 1230 C GLY A 79 -0.086 -18.424 11.598 1.00 0.00 C ATOM 1231 O GLY A 79 0.701 -18.118 12.493 1.00 0.00 O ATOM 0 H GLY A 79 -2.994 -17.929 10.816 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -1.877 -18.286 12.761 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -1.470 -19.915 12.260 1.00 0.00 H new ATOM 1235 N GLU A 80 0.233 -18.381 10.308 1.00 0.00 N ATOM 1236 CA GLU A 80 1.557 -17.964 9.862 1.00 0.00 C ATOM 1237 C GLU A 80 1.520 -16.548 9.297 1.00 0.00 C ATOM 1238 O GLU A 80 0.456 -16.032 8.955 1.00 0.00 O ATOM 1239 CB GLU A 80 2.093 -18.933 8.806 1.00 0.00 C ATOM 1240 CG GLU A 80 2.245 -20.359 9.308 1.00 0.00 C ATOM 1241 CD GLU A 80 3.482 -20.547 10.164 1.00 0.00 C ATOM 1242 OE1 GLU A 80 3.473 -20.097 11.329 1.00 0.00 O ATOM 1243 OE2 GLU A 80 4.461 -21.144 9.668 1.00 0.00 O ATOM 0 H GLU A 80 -0.407 -18.630 9.554 1.00 0.00 H new ATOM 0 HA GLU A 80 2.223 -17.975 10.725 1.00 0.00 H new ATOM 0 HB2 GLU A 80 1.421 -18.929 7.947 1.00 0.00 H new ATOM 0 HB3 GLU A 80 3.061 -18.575 8.455 1.00 0.00 H new ATOM 0 HG2 GLU A 80 1.363 -20.633 9.886 1.00 0.00 H new ATOM 0 HG3 GLU A 80 2.291 -21.037 8.456 1.00 0.00 H new ATOM 1250 N SER A 81 2.690 -15.923 9.202 1.00 0.00 N ATOM 1251 CA SER A 81 2.791 -14.565 8.682 1.00 0.00 C ATOM 1252 C SER A 81 3.773 -14.501 7.516 1.00 0.00 C ATOM 1253 O SER A 81 4.386 -15.504 7.151 1.00 0.00 O ATOM 1254 CB SER A 81 3.233 -13.605 9.789 1.00 0.00 C ATOM 1255 OG SER A 81 2.509 -13.837 10.985 1.00 0.00 O ATOM 0 H SER A 81 3.581 -16.336 9.479 1.00 0.00 H new ATOM 0 HA SER A 81 1.807 -14.266 8.322 1.00 0.00 H new ATOM 0 HB2 SER A 81 4.300 -13.728 9.976 1.00 0.00 H new ATOM 0 HB3 SER A 81 3.083 -12.576 9.463 1.00 0.00 H new ATOM 0 HG SER A 81 2.811 -13.212 11.677 1.00 0.00 H new ATOM 1261 N MET A 82 3.916 -13.314 6.936 1.00 0.00 N ATOM 1262 CA MET A 82 4.823 -13.118 5.811 1.00 0.00 C ATOM 1263 C MET A 82 5.227 -11.653 5.687 1.00 0.00 C ATOM 1264 O MET A 82 4.585 -10.773 6.260 1.00 0.00 O ATOM 1265 CB MET A 82 4.168 -13.591 4.511 1.00 0.00 C ATOM 1266 CG MET A 82 3.049 -12.682 4.030 1.00 0.00 C ATOM 1267 SD MET A 82 2.158 -13.366 2.620 1.00 0.00 S ATOM 1268 CE MET A 82 3.374 -13.165 1.321 1.00 0.00 C ATOM 0 H MET A 82 3.416 -12.474 7.226 1.00 0.00 H new ATOM 0 HA MET A 82 5.720 -13.709 5.993 1.00 0.00 H new ATOM 0 HB2 MET A 82 4.929 -13.659 3.734 1.00 0.00 H new ATOM 0 HB3 MET A 82 3.771 -14.596 4.658 1.00 0.00 H new ATOM 0 HG2 MET A 82 2.350 -12.509 4.848 1.00 0.00 H new ATOM 0 HG3 MET A 82 3.466 -11.713 3.756 1.00 0.00 H new ATOM 0 HE1 MET A 82 2.878 -12.847 0.404 1.00 0.00 H new ATOM 0 HE2 MET A 82 4.104 -12.412 1.619 1.00 0.00 H new ATOM 0 HE3 MET A 82 3.882 -14.114 1.148 1.00 0.00 H new ATOM 1278 N GLN A 83 6.294 -11.399 4.937 1.00 0.00 N ATOM 1279 CA GLN A 83 6.783 -10.039 4.740 1.00 0.00 C ATOM 1280 C GLN A 83 6.770 -9.665 3.261 1.00 0.00 C ATOM 1281 O GLN A 83 7.391 -10.334 2.435 1.00 0.00 O ATOM 1282 CB GLN A 83 8.199 -9.897 5.301 1.00 0.00 C ATOM 1283 CG GLN A 83 8.236 -9.633 6.797 1.00 0.00 C ATOM 1284 CD GLN A 83 9.648 -9.610 7.351 1.00 0.00 C ATOM 1285 OE1 GLN A 83 10.482 -8.731 6.807 1.00 0.00 O flip ATOM 1286 NE2 GLN A 83 9.985 -10.373 8.257 1.00 0.00 N flip ATOM 0 H GLN A 83 6.836 -12.116 4.456 1.00 0.00 H new ATOM 0 HA GLN A 83 6.118 -9.360 5.274 1.00 0.00 H new ATOM 0 HB2 GLN A 83 8.759 -10.807 5.087 1.00 0.00 H new ATOM 0 HB3 GLN A 83 8.706 -9.082 4.784 1.00 0.00 H new ATOM 0 HG2 GLN A 83 7.752 -8.679 7.006 1.00 0.00 H new ATOM 0 HG3 GLN A 83 7.660 -10.402 7.312 1.00 0.00 H new ATOM 0 HE21 GLN A 83 9.311 -11.033 8.645 1.00 0.00 H new ATOM 0 HE22 GLN A 83 10.938 -10.345 8.619 1.00 0.00 H new ATOM 1295 N LEU A 84 6.057 -8.592 2.934 1.00 0.00 N ATOM 1296 CA LEU A 84 5.962 -8.128 1.554 1.00 0.00 C ATOM 1297 C LEU A 84 6.831 -6.894 1.334 1.00 0.00 C ATOM 1298 O LEU A 84 7.174 -6.188 2.282 1.00 0.00 O ATOM 1299 CB LEU A 84 4.508 -7.812 1.201 1.00 0.00 C ATOM 1300 CG LEU A 84 3.539 -8.995 1.227 1.00 0.00 C ATOM 1301 CD1 LEU A 84 2.125 -8.533 0.911 1.00 0.00 C ATOM 1302 CD2 LEU A 84 3.983 -10.070 0.246 1.00 0.00 C ATOM 0 H LEU A 84 5.537 -8.027 3.605 1.00 0.00 H new ATOM 0 HA LEU A 84 6.323 -8.924 0.903 1.00 0.00 H new ATOM 0 HB2 LEU A 84 4.143 -7.054 1.894 1.00 0.00 H new ATOM 0 HB3 LEU A 84 4.485 -7.371 0.205 1.00 0.00 H new ATOM 0 HG LEU A 84 3.544 -9.423 2.230 1.00 0.00 H new ATOM 0 HD11 LEU A 84 1.449 -9.388 0.934 1.00 0.00 H new ATOM 0 HD12 LEU A 84 1.808 -7.800 1.652 1.00 0.00 H new ATOM 0 HD13 LEU A 84 2.103 -8.080 -0.080 1.00 0.00 H new ATOM 0 HD21 LEU A 84 3.282 -10.904 0.278 1.00 0.00 H new ATOM 0 HD22 LEU A 84 4.008 -9.655 -0.762 1.00 0.00 H new ATOM 0 HD23 LEU A 84 4.978 -10.422 0.518 1.00 0.00 H new ATOM 1314 N GLU A 85 7.180 -6.640 0.077 1.00 0.00 N ATOM 1315 CA GLU A 85 8.008 -5.489 -0.267 1.00 0.00 C ATOM 1316 C GLU A 85 7.278 -4.565 -1.238 1.00 0.00 C ATOM 1317 O GLU A 85 6.796 -5.000 -2.284 1.00 0.00 O ATOM 1318 CB GLU A 85 9.331 -5.950 -0.882 1.00 0.00 C ATOM 1319 CG GLU A 85 10.444 -6.132 0.136 1.00 0.00 C ATOM 1320 CD GLU A 85 11.640 -6.872 -0.433 1.00 0.00 C ATOM 1321 OE1 GLU A 85 12.492 -6.220 -1.071 1.00 0.00 O ATOM 1322 OE2 GLU A 85 11.722 -8.103 -0.239 1.00 0.00 O ATOM 0 H GLU A 85 6.903 -7.214 -0.719 1.00 0.00 H new ATOM 0 HA GLU A 85 8.215 -4.936 0.649 1.00 0.00 H new ATOM 0 HB2 GLU A 85 9.170 -6.893 -1.405 1.00 0.00 H new ATOM 0 HB3 GLU A 85 9.648 -5.222 -1.629 1.00 0.00 H new ATOM 0 HG2 GLU A 85 10.764 -5.155 0.497 1.00 0.00 H new ATOM 0 HG3 GLU A 85 10.059 -6.679 0.996 1.00 0.00 H new ATOM 1329 N VAL A 86 7.200 -3.286 -0.883 1.00 0.00 N ATOM 1330 CA VAL A 86 6.530 -2.300 -1.722 1.00 0.00 C ATOM 1331 C VAL A 86 7.500 -1.213 -2.173 1.00 0.00 C ATOM 1332 O VAL A 86 8.014 -0.449 -1.357 1.00 0.00 O ATOM 1333 CB VAL A 86 5.349 -1.644 -0.983 1.00 0.00 C ATOM 1334 CG1 VAL A 86 4.809 -0.465 -1.778 1.00 0.00 C ATOM 1335 CG2 VAL A 86 4.253 -2.666 -0.719 1.00 0.00 C ATOM 0 H VAL A 86 7.592 -2.909 -0.020 1.00 0.00 H new ATOM 0 HA VAL A 86 6.152 -2.832 -2.595 1.00 0.00 H new ATOM 0 HB VAL A 86 5.706 -1.271 -0.023 1.00 0.00 H new ATOM 0 HG11 VAL A 86 3.975 -0.015 -1.240 1.00 0.00 H new ATOM 0 HG12 VAL A 86 5.597 0.276 -1.911 1.00 0.00 H new ATOM 0 HG13 VAL A 86 4.467 -0.810 -2.754 1.00 0.00 H new ATOM 0 HG21 VAL A 86 3.426 -2.186 -0.196 1.00 0.00 H new ATOM 0 HG22 VAL A 86 3.897 -3.071 -1.666 1.00 0.00 H new ATOM 0 HG23 VAL A 86 4.650 -3.475 -0.105 1.00 0.00 H new ATOM 1345 N GLU A 87 7.744 -1.150 -3.478 1.00 0.00 N ATOM 1346 CA GLU A 87 8.652 -0.155 -4.038 1.00 0.00 C ATOM 1347 C GLU A 87 7.876 1.000 -4.663 1.00 0.00 C ATOM 1348 O GLU A 87 6.851 0.794 -5.313 1.00 0.00 O ATOM 1349 CB GLU A 87 9.564 -0.798 -5.085 1.00 0.00 C ATOM 1350 CG GLU A 87 10.866 -0.045 -5.302 1.00 0.00 C ATOM 1351 CD GLU A 87 11.416 -0.223 -6.704 1.00 0.00 C ATOM 1352 OE1 GLU A 87 10.995 0.528 -7.607 1.00 0.00 O ATOM 1353 OE2 GLU A 87 12.270 -1.115 -6.896 1.00 0.00 O ATOM 0 H GLU A 87 7.326 -1.775 -4.167 1.00 0.00 H new ATOM 0 HA GLU A 87 9.264 0.239 -3.226 1.00 0.00 H new ATOM 0 HB2 GLU A 87 9.791 -1.819 -4.779 1.00 0.00 H new ATOM 0 HB3 GLU A 87 9.028 -0.861 -6.032 1.00 0.00 H new ATOM 0 HG2 GLU A 87 10.704 1.016 -5.111 1.00 0.00 H new ATOM 0 HG3 GLU A 87 11.606 -0.390 -4.579 1.00 0.00 H new ATOM 1360 N PHE A 88 8.372 2.216 -4.461 1.00 0.00 N ATOM 1361 CA PHE A 88 7.725 3.405 -5.003 1.00 0.00 C ATOM 1362 C PHE A 88 8.729 4.543 -5.168 1.00 0.00 C ATOM 1363 O PHE A 88 9.182 5.131 -4.187 1.00 0.00 O ATOM 1364 CB PHE A 88 6.580 3.850 -4.090 1.00 0.00 C ATOM 1365 CG PHE A 88 6.251 5.310 -4.209 1.00 0.00 C ATOM 1366 CD1 PHE A 88 5.624 5.804 -5.341 1.00 0.00 C ATOM 1367 CD2 PHE A 88 6.570 6.191 -3.187 1.00 0.00 C ATOM 1368 CE1 PHE A 88 5.320 7.147 -5.453 1.00 0.00 C ATOM 1369 CE2 PHE A 88 6.268 7.535 -3.293 1.00 0.00 C ATOM 1370 CZ PHE A 88 5.643 8.014 -4.428 1.00 0.00 C ATOM 0 H PHE A 88 9.220 2.404 -3.926 1.00 0.00 H new ATOM 0 HA PHE A 88 7.322 3.153 -5.984 1.00 0.00 H new ATOM 0 HB2 PHE A 88 5.691 3.265 -4.325 1.00 0.00 H new ATOM 0 HB3 PHE A 88 6.844 3.628 -3.056 1.00 0.00 H new ATOM 0 HD1 PHE A 88 5.370 5.131 -6.146 1.00 0.00 H new ATOM 0 HD2 PHE A 88 7.060 5.822 -2.298 1.00 0.00 H new ATOM 0 HE1 PHE A 88 4.830 7.518 -6.341 1.00 0.00 H new ATOM 0 HE2 PHE A 88 6.520 8.211 -2.489 1.00 0.00 H new ATOM 0 HZ PHE A 88 5.407 9.065 -4.513 1.00 0.00 H new ATOM 1380 N GLU A 89 9.070 4.846 -6.417 1.00 0.00 N ATOM 1381 CA GLU A 89 10.021 5.912 -6.711 1.00 0.00 C ATOM 1382 C GLU A 89 9.370 7.004 -7.554 1.00 0.00 C ATOM 1383 O GLU A 89 9.191 6.866 -8.764 1.00 0.00 O ATOM 1384 CB GLU A 89 11.243 5.348 -7.440 1.00 0.00 C ATOM 1385 CG GLU A 89 12.175 6.419 -7.982 1.00 0.00 C ATOM 1386 CD GLU A 89 12.891 5.983 -9.246 1.00 0.00 C ATOM 1387 OE1 GLU A 89 12.351 5.120 -9.967 1.00 0.00 O ATOM 1388 OE2 GLU A 89 13.993 6.507 -9.513 1.00 0.00 O ATOM 0 H GLU A 89 8.702 4.369 -7.240 1.00 0.00 H new ATOM 0 HA GLU A 89 10.341 6.350 -5.766 1.00 0.00 H new ATOM 0 HB2 GLU A 89 11.799 4.706 -6.757 1.00 0.00 H new ATOM 0 HB3 GLU A 89 10.906 4.720 -8.265 1.00 0.00 H new ATOM 0 HG2 GLU A 89 11.603 7.324 -8.187 1.00 0.00 H new ATOM 0 HG3 GLU A 89 12.912 6.673 -7.220 1.00 0.00 H new ATOM 1395 N PRO A 90 9.007 8.118 -6.900 1.00 0.00 N ATOM 1396 CA PRO A 90 8.370 9.256 -7.569 1.00 0.00 C ATOM 1397 C PRO A 90 9.330 9.995 -8.495 1.00 0.00 C ATOM 1398 O PRO A 90 10.534 9.741 -8.485 1.00 0.00 O ATOM 1399 CB PRO A 90 7.946 10.158 -6.407 1.00 0.00 C ATOM 1400 CG PRO A 90 8.881 9.814 -5.300 1.00 0.00 C ATOM 1401 CD PRO A 90 9.189 8.351 -5.458 1.00 0.00 C ATOM 0 HA PRO A 90 7.544 8.944 -8.207 1.00 0.00 H new ATOM 0 HB2 PRO A 90 8.021 11.212 -6.676 1.00 0.00 H new ATOM 0 HB3 PRO A 90 6.910 9.975 -6.121 1.00 0.00 H new ATOM 0 HG2 PRO A 90 9.790 10.413 -5.357 1.00 0.00 H new ATOM 0 HG3 PRO A 90 8.427 10.015 -4.329 1.00 0.00 H new ATOM 0 HD2 PRO A 90 10.205 8.117 -5.138 1.00 0.00 H new ATOM 0 HD3 PRO A 90 8.517 7.732 -4.863 1.00 0.00 H new ATOM 1409 N GLN A 91 8.789 10.911 -9.292 1.00 0.00 N ATOM 1410 CA GLN A 91 9.599 11.687 -10.223 1.00 0.00 C ATOM 1411 C GLN A 91 9.532 13.175 -9.895 1.00 0.00 C ATOM 1412 O GLN A 91 10.521 13.895 -10.029 1.00 0.00 O ATOM 1413 CB GLN A 91 9.131 11.448 -11.660 1.00 0.00 C ATOM 1414 CG GLN A 91 9.924 10.376 -12.388 1.00 0.00 C ATOM 1415 CD GLN A 91 10.574 9.386 -11.441 1.00 0.00 C ATOM 1416 OE1 GLN A 91 11.797 9.685 -11.020 1.00 0.00 O flip ATOM 1417 NE2 GLN A 91 9.983 8.364 -11.091 1.00 0.00 N flip ATOM 0 H GLN A 91 7.794 11.134 -9.311 1.00 0.00 H new ATOM 0 HA GLN A 91 10.634 11.359 -10.125 1.00 0.00 H new ATOM 0 HB2 GLN A 91 8.079 11.164 -11.648 1.00 0.00 H new ATOM 0 HB3 GLN A 91 9.203 12.382 -12.217 1.00 0.00 H new ATOM 0 HG2 GLN A 91 9.263 9.841 -13.070 1.00 0.00 H new ATOM 0 HG3 GLN A 91 10.694 10.850 -12.997 1.00 0.00 H new ATOM 0 HE21 GLN A 91 9.043 8.174 -11.439 1.00 0.00 H new ATOM 0 HE22 GLN A 91 10.433 7.708 -10.453 1.00 0.00 H new ATOM 1426 N SER A 92 8.359 13.628 -9.463 1.00 0.00 N ATOM 1427 CA SER A 92 8.162 15.032 -9.119 1.00 0.00 C ATOM 1428 C SER A 92 8.021 15.206 -7.610 1.00 0.00 C ATOM 1429 O SER A 92 7.610 14.286 -6.903 1.00 0.00 O ATOM 1430 CB SER A 92 6.923 15.583 -9.826 1.00 0.00 C ATOM 1431 OG SER A 92 7.116 15.633 -11.229 1.00 0.00 O ATOM 0 H SER A 92 7.531 13.044 -9.343 1.00 0.00 H new ATOM 0 HA SER A 92 9.038 15.589 -9.451 1.00 0.00 H new ATOM 0 HB2 SER A 92 6.061 14.957 -9.597 1.00 0.00 H new ATOM 0 HB3 SER A 92 6.700 16.582 -9.451 1.00 0.00 H new ATOM 0 HG SER A 92 6.309 15.987 -11.658 1.00 0.00 H new ATOM 1437 N VAL A 93 8.364 16.394 -7.123 1.00 0.00 N ATOM 1438 CA VAL A 93 8.275 16.692 -5.699 1.00 0.00 C ATOM 1439 C VAL A 93 6.842 17.023 -5.295 1.00 0.00 C ATOM 1440 O VAL A 93 6.116 17.686 -6.034 1.00 0.00 O ATOM 1441 CB VAL A 93 9.190 17.869 -5.313 1.00 0.00 C ATOM 1442 CG1 VAL A 93 9.070 18.174 -3.827 1.00 0.00 C ATOM 1443 CG2 VAL A 93 10.633 17.566 -5.688 1.00 0.00 C ATOM 0 H VAL A 93 8.706 17.166 -7.694 1.00 0.00 H new ATOM 0 HA VAL A 93 8.602 15.798 -5.168 1.00 0.00 H new ATOM 0 HB VAL A 93 8.871 18.752 -5.868 1.00 0.00 H new ATOM 0 HG11 VAL A 93 9.724 19.008 -3.573 1.00 0.00 H new ATOM 0 HG12 VAL A 93 8.039 18.436 -3.592 1.00 0.00 H new ATOM 0 HG13 VAL A 93 9.362 17.296 -3.251 1.00 0.00 H new ATOM 0 HG21 VAL A 93 11.266 18.408 -5.408 1.00 0.00 H new ATOM 0 HG22 VAL A 93 10.966 16.671 -5.162 1.00 0.00 H new ATOM 0 HG23 VAL A 93 10.703 17.401 -6.763 1.00 0.00 H new ATOM 1453 N GLY A 94 6.442 16.557 -4.116 1.00 0.00 N ATOM 1454 CA GLY A 94 5.098 16.814 -3.634 1.00 0.00 C ATOM 1455 C GLY A 94 4.477 15.600 -2.972 1.00 0.00 C ATOM 1456 O GLY A 94 5.172 14.636 -2.652 1.00 0.00 O ATOM 0 H GLY A 94 7.025 16.006 -3.486 1.00 0.00 H new ATOM 0 HA2 GLY A 94 5.122 17.639 -2.922 1.00 0.00 H new ATOM 0 HA3 GLY A 94 4.471 17.130 -4.468 1.00 0.00 H new ATOM 1460 N ASP A 95 3.166 15.647 -2.765 1.00 0.00 N ATOM 1461 CA ASP A 95 2.451 14.542 -2.137 1.00 0.00 C ATOM 1462 C ASP A 95 2.000 13.524 -3.179 1.00 0.00 C ATOM 1463 O ASP A 95 1.388 13.880 -4.187 1.00 0.00 O ATOM 1464 CB ASP A 95 1.241 15.065 -1.360 1.00 0.00 C ATOM 1465 CG ASP A 95 0.184 15.662 -2.269 1.00 0.00 C ATOM 1466 OD1 ASP A 95 0.426 16.755 -2.823 1.00 0.00 O ATOM 1467 OD2 ASP A 95 -0.884 15.035 -2.426 1.00 0.00 O ATOM 0 H ASP A 95 2.576 16.438 -3.023 1.00 0.00 H new ATOM 0 HA ASP A 95 3.132 14.048 -1.444 1.00 0.00 H new ATOM 0 HB2 ASP A 95 0.803 14.250 -0.784 1.00 0.00 H new ATOM 0 HB3 ASP A 95 1.570 15.819 -0.645 1.00 0.00 H new ATOM 1472 N HIS A 96 2.308 12.254 -2.930 1.00 0.00 N ATOM 1473 CA HIS A 96 1.935 11.184 -3.848 1.00 0.00 C ATOM 1474 C HIS A 96 1.020 10.174 -3.161 1.00 0.00 C ATOM 1475 O HIS A 96 1.417 9.516 -2.199 1.00 0.00 O ATOM 1476 CB HIS A 96 3.184 10.480 -4.378 1.00 0.00 C ATOM 1477 CG HIS A 96 3.991 11.320 -5.319 1.00 0.00 C ATOM 1478 ND1 HIS A 96 3.802 11.313 -6.685 1.00 0.00 N ATOM 1479 CD2 HIS A 96 4.993 12.199 -5.084 1.00 0.00 C ATOM 1480 CE1 HIS A 96 4.655 12.149 -7.250 1.00 0.00 C ATOM 1481 NE2 HIS A 96 5.389 12.700 -6.300 1.00 0.00 N ATOM 0 H HIS A 96 2.814 11.942 -2.101 1.00 0.00 H new ATOM 0 HA HIS A 96 1.395 11.628 -4.684 1.00 0.00 H new ATOM 0 HB2 HIS A 96 3.811 10.188 -3.536 1.00 0.00 H new ATOM 0 HB3 HIS A 96 2.886 9.563 -4.887 1.00 0.00 H new ATOM 0 HD2 HIS A 96 5.405 12.458 -4.120 1.00 0.00 H new ATOM 0 HE1 HIS A 96 4.738 12.348 -8.308 1.00 0.00 H new ATOM 0 HE2 HIS A 96 6.130 13.386 -6.446 1.00 0.00 H new ATOM 1490 N SER A 97 -0.206 10.057 -3.661 1.00 0.00 N ATOM 1491 CA SER A 97 -1.178 9.131 -3.093 1.00 0.00 C ATOM 1492 C SER A 97 -1.735 8.201 -4.167 1.00 0.00 C ATOM 1493 O SER A 97 -2.035 8.630 -5.280 1.00 0.00 O ATOM 1494 CB SER A 97 -2.320 9.902 -2.427 1.00 0.00 C ATOM 1495 OG SER A 97 -3.094 10.597 -3.389 1.00 0.00 O ATOM 0 H SER A 97 -0.550 10.592 -4.458 1.00 0.00 H new ATOM 0 HA SER A 97 -0.671 8.526 -2.341 1.00 0.00 H new ATOM 0 HB2 SER A 97 -2.956 9.211 -1.874 1.00 0.00 H new ATOM 0 HB3 SER A 97 -1.913 10.608 -1.704 1.00 0.00 H new ATOM 0 HG SER A 97 -3.818 11.080 -2.939 1.00 0.00 H new ATOM 1501 N GLY A 98 -1.871 6.924 -3.823 1.00 0.00 N ATOM 1502 CA GLY A 98 -2.391 5.953 -4.767 1.00 0.00 C ATOM 1503 C GLY A 98 -3.385 5.001 -4.132 1.00 0.00 C ATOM 1504 O GLY A 98 -4.056 5.351 -3.161 1.00 0.00 O ATOM 0 H GLY A 98 -1.630 6.545 -2.907 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -2.871 6.476 -5.594 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -1.564 5.382 -5.188 1.00 0.00 H new ATOM 1508 N ARG A 99 -3.481 3.794 -4.681 1.00 0.00 N ATOM 1509 CA ARG A 99 -4.402 2.790 -4.163 1.00 0.00 C ATOM 1510 C ARG A 99 -3.958 1.387 -4.564 1.00 0.00 C ATOM 1511 O ARG A 99 -3.623 1.137 -5.723 1.00 0.00 O ATOM 1512 CB ARG A 99 -5.819 3.055 -4.676 1.00 0.00 C ATOM 1513 CG ARG A 99 -6.868 2.136 -4.071 1.00 0.00 C ATOM 1514 CD ARG A 99 -8.248 2.772 -4.098 1.00 0.00 C ATOM 1515 NE ARG A 99 -8.300 4.002 -3.312 1.00 0.00 N ATOM 1516 CZ ARG A 99 -9.405 4.719 -3.141 1.00 0.00 C ATOM 1517 NH1 ARG A 99 -10.544 4.330 -3.697 1.00 0.00 N ATOM 1518 NH2 ARG A 99 -9.373 5.827 -2.411 1.00 0.00 N ATOM 0 H ARG A 99 -2.932 3.488 -5.484 1.00 0.00 H new ATOM 0 HA ARG A 99 -4.398 2.856 -3.075 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -6.087 4.089 -4.460 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -5.831 2.942 -5.760 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -6.889 1.195 -4.620 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -6.596 1.899 -3.043 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -8.527 2.989 -5.129 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -8.981 2.064 -3.712 1.00 0.00 H new ATOM 0 HE ARG A 99 -7.441 4.328 -2.870 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -10.573 3.478 -4.258 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -11.391 4.882 -3.564 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -8.499 6.129 -1.980 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -10.222 6.377 -2.281 1.00 0.00 H new ATOM 1532 N LEU A 100 -3.958 0.474 -3.600 1.00 0.00 N ATOM 1533 CA LEU A 100 -3.555 -0.906 -3.851 1.00 0.00 C ATOM 1534 C LEU A 100 -4.769 -1.828 -3.894 1.00 0.00 C ATOM 1535 O LEU A 100 -5.478 -1.984 -2.900 1.00 0.00 O ATOM 1536 CB LEU A 100 -2.580 -1.378 -2.772 1.00 0.00 C ATOM 1537 CG LEU A 100 -1.181 -0.761 -2.816 1.00 0.00 C ATOM 1538 CD1 LEU A 100 -0.411 -1.094 -1.547 1.00 0.00 C ATOM 1539 CD2 LEU A 100 -0.423 -1.245 -4.044 1.00 0.00 C ATOM 0 H LEU A 100 -4.233 0.664 -2.636 1.00 0.00 H new ATOM 0 HA LEU A 100 -3.059 -0.943 -4.821 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -3.018 -1.166 -1.797 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -2.481 -2.461 -2.849 1.00 0.00 H new ATOM 0 HG LEU A 100 -1.284 0.322 -2.881 1.00 0.00 H new ATOM 0 HD11 LEU A 100 0.582 -0.647 -1.596 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -0.945 -0.698 -0.683 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -0.317 -2.176 -1.451 1.00 0.00 H new ATOM 0 HD21 LEU A 100 0.570 -0.796 -4.059 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -0.330 -2.330 -4.010 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -0.966 -0.956 -4.944 1.00 0.00 H new ATOM 1551 N ILE A 101 -5.001 -2.439 -5.052 1.00 0.00 N ATOM 1552 CA ILE A 101 -6.127 -3.349 -5.223 1.00 0.00 C ATOM 1553 C ILE A 101 -5.682 -4.802 -5.103 1.00 0.00 C ATOM 1554 O ILE A 101 -4.930 -5.304 -5.939 1.00 0.00 O ATOM 1555 CB ILE A 101 -6.813 -3.145 -6.586 1.00 0.00 C ATOM 1556 CG1 ILE A 101 -7.209 -1.678 -6.768 1.00 0.00 C ATOM 1557 CG2 ILE A 101 -8.033 -4.047 -6.705 1.00 0.00 C ATOM 1558 CD1 ILE A 101 -7.398 -1.278 -8.214 1.00 0.00 C ATOM 0 H ILE A 101 -4.424 -2.320 -5.885 1.00 0.00 H new ATOM 0 HA ILE A 101 -6.839 -3.123 -4.429 1.00 0.00 H new ATOM 0 HB ILE A 101 -6.109 -3.412 -7.374 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -8.134 -1.490 -6.224 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -6.442 -1.045 -6.322 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -8.507 -3.891 -7.674 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -7.725 -5.089 -6.615 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -8.741 -3.808 -5.912 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -7.678 -0.226 -8.267 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -6.467 -1.434 -8.759 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -8.186 -1.885 -8.660 1.00 0.00 H new ATOM 1570 N VAL A 102 -6.152 -5.475 -4.057 1.00 0.00 N ATOM 1571 CA VAL A 102 -5.806 -6.873 -3.828 1.00 0.00 C ATOM 1572 C VAL A 102 -6.951 -7.796 -4.229 1.00 0.00 C ATOM 1573 O VAL A 102 -8.002 -7.813 -3.586 1.00 0.00 O ATOM 1574 CB VAL A 102 -5.447 -7.128 -2.352 1.00 0.00 C ATOM 1575 CG1 VAL A 102 -5.000 -8.568 -2.153 1.00 0.00 C ATOM 1576 CG2 VAL A 102 -4.371 -6.158 -1.890 1.00 0.00 C ATOM 0 H VAL A 102 -6.774 -5.074 -3.355 1.00 0.00 H new ATOM 0 HA VAL A 102 -4.936 -7.089 -4.448 1.00 0.00 H new ATOM 0 HB VAL A 102 -6.337 -6.962 -1.745 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -4.750 -8.730 -1.104 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -5.806 -9.242 -2.442 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -4.123 -8.765 -2.769 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -4.130 -6.353 -0.845 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -3.477 -6.289 -2.499 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -4.734 -5.135 -1.994 1.00 0.00 H new ATOM 1586 N CYS A 103 -6.742 -8.562 -5.294 1.00 0.00 N ATOM 1587 CA CYS A 103 -7.758 -9.488 -5.781 1.00 0.00 C ATOM 1588 C CYS A 103 -7.516 -10.893 -5.239 1.00 0.00 C ATOM 1589 O CYS A 103 -6.447 -11.471 -5.436 1.00 0.00 O ATOM 1590 CB CYS A 103 -7.765 -9.512 -7.310 1.00 0.00 C ATOM 1591 SG CYS A 103 -8.749 -8.197 -8.064 1.00 0.00 S ATOM 0 H CYS A 103 -5.878 -8.560 -5.837 1.00 0.00 H new ATOM 0 HA CYS A 103 -8.729 -9.143 -5.426 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -6.739 -9.434 -7.669 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -8.148 -10.476 -7.646 1.00 0.00 H new ATOM 0 HG CYS A 103 -8.691 -8.300 -9.359 1.00 0.00 H new ATOM 1597 N TYR A 104 -8.516 -11.437 -4.554 1.00 0.00 N ATOM 1598 CA TYR A 104 -8.412 -12.773 -3.980 1.00 0.00 C ATOM 1599 C TYR A 104 -8.872 -13.832 -4.977 1.00 0.00 C ATOM 1600 O TYR A 104 -9.687 -13.559 -5.858 1.00 0.00 O ATOM 1601 CB TYR A 104 -9.242 -12.867 -2.699 1.00 0.00 C ATOM 1602 CG TYR A 104 -8.752 -11.961 -1.592 1.00 0.00 C ATOM 1603 CD1 TYR A 104 -8.667 -10.587 -1.778 1.00 0.00 C ATOM 1604 CD2 TYR A 104 -8.375 -12.480 -0.359 1.00 0.00 C ATOM 1605 CE1 TYR A 104 -8.219 -9.756 -0.769 1.00 0.00 C ATOM 1606 CE2 TYR A 104 -7.928 -11.656 0.656 1.00 0.00 C ATOM 1607 CZ TYR A 104 -7.851 -10.295 0.446 1.00 0.00 C ATOM 1608 OH TYR A 104 -7.405 -9.471 1.453 1.00 0.00 O ATOM 0 H TYR A 104 -9.408 -10.973 -4.383 1.00 0.00 H new ATOM 0 HA TYR A 104 -7.365 -12.957 -3.740 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -10.278 -12.619 -2.928 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -9.232 -13.898 -2.345 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -8.956 -10.161 -2.727 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -8.432 -13.545 -0.191 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -8.157 -8.690 -0.931 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -7.640 -12.075 1.609 1.00 0.00 H new ATOM 0 HH TYR A 104 -7.636 -9.862 2.322 1.00 0.00 H new ATOM 1618 N ASP A 105 -8.344 -15.043 -4.830 1.00 0.00 N ATOM 1619 CA ASP A 105 -8.702 -16.145 -5.715 1.00 0.00 C ATOM 1620 C ASP A 105 -10.169 -16.524 -5.546 1.00 0.00 C ATOM 1621 O ASP A 105 -10.869 -16.794 -6.523 1.00 0.00 O ATOM 1622 CB ASP A 105 -7.813 -17.359 -5.437 1.00 0.00 C ATOM 1623 CG ASP A 105 -8.161 -18.544 -6.316 1.00 0.00 C ATOM 1624 OD1 ASP A 105 -8.744 -18.329 -7.400 1.00 0.00 O ATOM 1625 OD2 ASP A 105 -7.850 -19.687 -5.921 1.00 0.00 O ATOM 0 H ASP A 105 -7.667 -15.286 -4.107 1.00 0.00 H new ATOM 0 HA ASP A 105 -8.547 -15.818 -6.743 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -6.770 -17.086 -5.596 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -7.911 -17.646 -4.390 1.00 0.00 H new ATOM 1630 N THR A 106 -10.631 -16.543 -4.299 1.00 0.00 N ATOM 1631 CA THR A 106 -12.014 -16.891 -4.002 1.00 0.00 C ATOM 1632 C THR A 106 -12.983 -15.978 -4.744 1.00 0.00 C ATOM 1633 O THR A 106 -13.943 -16.442 -5.357 1.00 0.00 O ATOM 1634 CB THR A 106 -12.302 -16.807 -2.491 1.00 0.00 C ATOM 1635 OG1 THR A 106 -12.282 -15.441 -2.063 1.00 0.00 O ATOM 1636 CG2 THR A 106 -11.278 -17.607 -1.700 1.00 0.00 C ATOM 0 H THR A 106 -10.067 -16.321 -3.479 1.00 0.00 H new ATOM 0 HA THR A 106 -12.160 -17.918 -4.336 1.00 0.00 H new ATOM 0 HB THR A 106 -13.290 -17.229 -2.308 1.00 0.00 H new ATOM 0 HG1 THR A 106 -12.468 -15.397 -1.102 1.00 0.00 H new ATOM 0 HG21 THR A 106 -11.502 -17.533 -0.636 1.00 0.00 H new ATOM 0 HG22 THR A 106 -11.317 -18.652 -2.007 1.00 0.00 H new ATOM 0 HG23 THR A 106 -10.281 -17.210 -1.890 1.00 0.00 H new ATOM 1644 N GLY A 107 -12.724 -14.675 -4.684 1.00 0.00 N ATOM 1645 CA GLY A 107 -13.582 -13.716 -5.355 1.00 0.00 C ATOM 1646 C GLY A 107 -13.813 -12.466 -4.530 1.00 0.00 C ATOM 1647 O GLY A 107 -14.954 -12.061 -4.311 1.00 0.00 O ATOM 0 H GLY A 107 -11.935 -14.267 -4.183 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -13.135 -13.440 -6.310 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -14.541 -14.184 -5.576 1.00 0.00 H new ATOM 1651 N GLU A 108 -12.726 -11.854 -4.069 1.00 0.00 N ATOM 1652 CA GLU A 108 -12.816 -10.644 -3.261 1.00 0.00 C ATOM 1653 C GLU A 108 -11.848 -9.579 -3.767 1.00 0.00 C ATOM 1654 O GLU A 108 -11.007 -9.844 -4.626 1.00 0.00 O ATOM 1655 CB GLU A 108 -12.521 -10.962 -1.793 1.00 0.00 C ATOM 1656 CG GLU A 108 -13.682 -11.621 -1.068 1.00 0.00 C ATOM 1657 CD GLU A 108 -14.972 -10.833 -1.193 1.00 0.00 C ATOM 1658 OE1 GLU A 108 -14.898 -9.613 -1.453 1.00 0.00 O ATOM 1659 OE2 GLU A 108 -16.054 -11.434 -1.030 1.00 0.00 O ATOM 0 H GLU A 108 -11.774 -12.176 -4.241 1.00 0.00 H new ATOM 0 HA GLU A 108 -13.831 -10.256 -3.344 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -11.651 -11.617 -1.740 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -12.257 -10.039 -1.276 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -13.833 -12.624 -1.468 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -13.430 -11.733 -0.013 1.00 0.00 H new ATOM 1666 N LYS A 109 -11.973 -8.371 -3.227 1.00 0.00 N ATOM 1667 CA LYS A 109 -11.110 -7.263 -3.622 1.00 0.00 C ATOM 1668 C LYS A 109 -10.921 -6.284 -2.468 1.00 0.00 C ATOM 1669 O LYS A 109 -11.891 -5.829 -1.861 1.00 0.00 O ATOM 1670 CB LYS A 109 -11.700 -6.535 -4.831 1.00 0.00 C ATOM 1671 CG LYS A 109 -10.675 -5.743 -5.624 1.00 0.00 C ATOM 1672 CD LYS A 109 -11.147 -5.488 -7.046 1.00 0.00 C ATOM 1673 CE LYS A 109 -12.374 -4.589 -7.073 1.00 0.00 C ATOM 1674 NZ LYS A 109 -13.638 -5.377 -7.092 1.00 0.00 N ATOM 0 H LYS A 109 -12.664 -8.134 -2.515 1.00 0.00 H new ATOM 0 HA LYS A 109 -10.136 -7.672 -3.892 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -12.171 -7.265 -5.489 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -12.485 -5.859 -4.490 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -10.484 -4.792 -5.127 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -9.730 -6.287 -5.645 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -10.344 -5.026 -7.620 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -11.379 -6.437 -7.529 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -12.366 -3.937 -6.200 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -12.334 -3.946 -7.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -14.144 -5.201 -7.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -13.417 -6.390 -7.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -14.237 -5.091 -6.292 1.00 0.00 H new ATOM 1688 N VAL A 110 -9.666 -5.961 -2.171 1.00 0.00 N ATOM 1689 CA VAL A 110 -9.350 -5.032 -1.092 1.00 0.00 C ATOM 1690 C VAL A 110 -8.608 -3.809 -1.619 1.00 0.00 C ATOM 1691 O VAL A 110 -7.768 -3.916 -2.513 1.00 0.00 O ATOM 1692 CB VAL A 110 -8.495 -5.708 -0.004 1.00 0.00 C ATOM 1693 CG1 VAL A 110 -8.085 -4.697 1.057 1.00 0.00 C ATOM 1694 CG2 VAL A 110 -9.250 -6.872 0.621 1.00 0.00 C ATOM 0 H VAL A 110 -8.852 -6.329 -2.663 1.00 0.00 H new ATOM 0 HA VAL A 110 -10.298 -4.717 -0.656 1.00 0.00 H new ATOM 0 HB VAL A 110 -7.590 -6.100 -0.469 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -7.482 -5.192 1.818 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -7.503 -3.900 0.594 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -8.976 -4.274 1.520 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -8.631 -7.338 1.388 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -10.173 -6.507 1.072 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -9.488 -7.606 -0.149 1.00 0.00 H new ATOM 1704 N PHE A 111 -8.925 -2.646 -1.059 1.00 0.00 N ATOM 1705 CA PHE A 111 -8.289 -1.400 -1.473 1.00 0.00 C ATOM 1706 C PHE A 111 -7.498 -0.785 -0.322 1.00 0.00 C ATOM 1707 O PHE A 111 -7.975 -0.727 0.812 1.00 0.00 O ATOM 1708 CB PHE A 111 -9.340 -0.408 -1.973 1.00 0.00 C ATOM 1709 CG PHE A 111 -10.057 -0.866 -3.211 1.00 0.00 C ATOM 1710 CD1 PHE A 111 -11.146 -1.718 -3.122 1.00 0.00 C ATOM 1711 CD2 PHE A 111 -9.641 -0.445 -4.464 1.00 0.00 C ATOM 1712 CE1 PHE A 111 -11.808 -2.141 -4.259 1.00 0.00 C ATOM 1713 CE2 PHE A 111 -10.299 -0.865 -5.604 1.00 0.00 C ATOM 1714 CZ PHE A 111 -11.383 -1.715 -5.502 1.00 0.00 C ATOM 0 H PHE A 111 -9.618 -2.540 -0.318 1.00 0.00 H new ATOM 0 HA PHE A 111 -7.598 -1.626 -2.285 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -10.071 -0.236 -1.183 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -8.858 0.548 -2.175 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -11.482 -2.056 -2.153 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -8.793 0.219 -4.550 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -12.657 -2.804 -4.176 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -9.966 -0.529 -6.575 1.00 0.00 H new ATOM 0 HZ PHE A 111 -11.897 -2.046 -6.392 1.00 0.00 H new ATOM 1724 N VAL A 112 -6.287 -0.327 -0.622 1.00 0.00 N ATOM 1725 CA VAL A 112 -5.430 0.285 0.386 1.00 0.00 C ATOM 1726 C VAL A 112 -4.733 1.525 -0.163 1.00 0.00 C ATOM 1727 O VAL A 112 -3.836 1.426 -1.000 1.00 0.00 O ATOM 1728 CB VAL A 112 -4.365 -0.706 0.894 1.00 0.00 C ATOM 1729 CG1 VAL A 112 -3.459 -0.039 1.917 1.00 0.00 C ATOM 1730 CG2 VAL A 112 -5.027 -1.943 1.481 1.00 0.00 C ATOM 0 H VAL A 112 -5.877 -0.368 -1.555 1.00 0.00 H new ATOM 0 HA VAL A 112 -6.075 0.572 1.217 1.00 0.00 H new ATOM 0 HB VAL A 112 -3.750 -1.017 0.049 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -2.714 -0.754 2.264 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -2.958 0.813 1.458 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -4.055 0.303 2.763 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -4.261 -2.632 1.835 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -5.667 -1.653 2.314 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -5.629 -2.432 0.715 1.00 0.00 H new ATOM 1740 N SER A 113 -5.153 2.692 0.312 1.00 0.00 N ATOM 1741 CA SER A 113 -4.572 3.953 -0.134 1.00 0.00 C ATOM 1742 C SER A 113 -3.052 3.925 -0.010 1.00 0.00 C ATOM 1743 O SER A 113 -2.496 3.169 0.788 1.00 0.00 O ATOM 1744 CB SER A 113 -5.140 5.117 0.681 1.00 0.00 C ATOM 1745 OG SER A 113 -6.419 5.497 0.205 1.00 0.00 O ATOM 0 H SER A 113 -5.894 2.791 1.006 1.00 0.00 H new ATOM 0 HA SER A 113 -4.831 4.093 -1.184 1.00 0.00 H new ATOM 0 HB2 SER A 113 -5.210 4.830 1.730 1.00 0.00 H new ATOM 0 HB3 SER A 113 -4.461 5.968 0.627 1.00 0.00 H new ATOM 0 HG SER A 113 -6.761 6.241 0.743 1.00 0.00 H new ATOM 1751 N LEU A 114 -2.385 4.752 -0.807 1.00 0.00 N ATOM 1752 CA LEU A 114 -0.928 4.823 -0.788 1.00 0.00 C ATOM 1753 C LEU A 114 -0.455 6.233 -0.447 1.00 0.00 C ATOM 1754 O LEU A 114 -1.226 7.191 -0.516 1.00 0.00 O ATOM 1755 CB LEU A 114 -0.359 4.396 -2.142 1.00 0.00 C ATOM 1756 CG LEU A 114 -0.376 2.895 -2.433 1.00 0.00 C ATOM 1757 CD1 LEU A 114 -0.048 2.631 -3.895 1.00 0.00 C ATOM 1758 CD2 LEU A 114 0.602 2.164 -1.525 1.00 0.00 C ATOM 0 H LEU A 114 -2.829 5.383 -1.474 1.00 0.00 H new ATOM 0 HA LEU A 114 -0.566 4.142 -0.017 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -0.920 4.904 -2.926 1.00 0.00 H new ATOM 0 HB3 LEU A 114 0.671 4.747 -2.208 1.00 0.00 H new ATOM 0 HG LEU A 114 -1.379 2.517 -2.232 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -0.065 1.558 -4.084 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -0.787 3.122 -4.528 1.00 0.00 H new ATOM 0 HD13 LEU A 114 0.943 3.024 -4.122 1.00 0.00 H new ATOM 0 HD21 LEU A 114 0.576 1.097 -1.746 1.00 0.00 H new ATOM 0 HD22 LEU A 114 1.609 2.545 -1.693 1.00 0.00 H new ATOM 0 HD23 LEU A 114 0.322 2.325 -0.484 1.00 0.00 H new ATOM 1770 N TYR A 115 0.816 6.354 -0.082 1.00 0.00 N ATOM 1771 CA TYR A 115 1.391 7.647 0.269 1.00 0.00 C ATOM 1772 C TYR A 115 2.902 7.648 0.053 1.00 0.00 C ATOM 1773 O TYR A 115 3.512 6.599 -0.153 1.00 0.00 O ATOM 1774 CB TYR A 115 1.073 7.992 1.725 1.00 0.00 C ATOM 1775 CG TYR A 115 -0.076 8.962 1.880 1.00 0.00 C ATOM 1776 CD1 TYR A 115 0.093 10.317 1.621 1.00 0.00 C ATOM 1777 CD2 TYR A 115 -1.331 8.525 2.284 1.00 0.00 C ATOM 1778 CE1 TYR A 115 -0.953 11.207 1.762 1.00 0.00 C ATOM 1779 CE2 TYR A 115 -2.384 9.408 2.426 1.00 0.00 C ATOM 1780 CZ TYR A 115 -2.190 10.748 2.164 1.00 0.00 C ATOM 1781 OH TYR A 115 -3.236 11.631 2.304 1.00 0.00 O ATOM 0 H TYR A 115 1.468 5.572 -0.021 1.00 0.00 H new ATOM 0 HA TYR A 115 0.948 8.401 -0.381 1.00 0.00 H new ATOM 0 HB2 TYR A 115 0.838 7.074 2.264 1.00 0.00 H new ATOM 0 HB3 TYR A 115 1.962 8.417 2.191 1.00 0.00 H new ATOM 0 HD1 TYR A 115 1.059 10.680 1.304 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -1.486 7.476 2.491 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -0.803 12.257 1.559 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -3.354 9.051 2.740 1.00 0.00 H new ATOM 0 HH TYR A 115 -4.037 11.146 2.593 1.00 0.00 H new ATOM 1791 N GLY A 116 3.499 8.834 0.103 1.00 0.00 N ATOM 1792 CA GLY A 116 4.933 8.951 -0.088 1.00 0.00 C ATOM 1793 C GLY A 116 5.376 10.387 -0.289 1.00 0.00 C ATOM 1794 O GLY A 116 5.904 10.739 -1.344 1.00 0.00 O ATOM 0 H GLY A 116 3.016 9.716 0.272 1.00 0.00 H new ATOM 0 HA2 GLY A 116 5.447 8.533 0.778 1.00 0.00 H new ATOM 0 HA3 GLY A 116 5.231 8.358 -0.953 1.00 0.00 H new ATOM 1798 N ALA A 117 5.159 11.219 0.724 1.00 0.00 N ATOM 1799 CA ALA A 117 5.540 12.624 0.654 1.00 0.00 C ATOM 1800 C ALA A 117 6.999 12.778 0.240 1.00 0.00 C ATOM 1801 O ALA A 117 7.908 12.553 1.039 1.00 0.00 O ATOM 1802 CB ALA A 117 5.294 13.305 1.992 1.00 0.00 C ATOM 0 H ALA A 117 4.721 10.944 1.603 1.00 0.00 H new ATOM 0 HA ALA A 117 4.922 13.104 -0.105 1.00 0.00 H new ATOM 0 HB1 ALA A 117 5.583 14.354 1.925 1.00 0.00 H new ATOM 0 HB2 ALA A 117 4.236 13.236 2.247 1.00 0.00 H new ATOM 0 HB3 ALA A 117 5.886 12.814 2.764 1.00 0.00 H new ATOM 1808 N ALA A 118 7.217 13.160 -1.014 1.00 0.00 N ATOM 1809 CA ALA A 118 8.567 13.344 -1.533 1.00 0.00 C ATOM 1810 C ALA A 118 9.120 14.712 -1.150 1.00 0.00 C ATOM 1811 O ALA A 118 8.403 15.551 -0.603 1.00 0.00 O ATOM 1812 CB ALA A 118 8.578 13.173 -3.045 1.00 0.00 C ATOM 0 H ALA A 118 6.476 13.348 -1.689 1.00 0.00 H new ATOM 0 HA ALA A 118 9.208 12.584 -1.087 1.00 0.00 H new ATOM 0 HB1 ALA A 118 9.592 13.313 -3.420 1.00 0.00 H new ATOM 0 HB2 ALA A 118 8.232 12.172 -3.300 1.00 0.00 H new ATOM 0 HB3 ALA A 118 7.918 13.912 -3.500 1.00 0.00 H new ATOM 1818 N ILE A 119 10.399 14.930 -1.438 1.00 0.00 N ATOM 1819 CA ILE A 119 11.048 16.197 -1.124 1.00 0.00 C ATOM 1820 C ILE A 119 12.245 16.443 -2.035 1.00 0.00 C ATOM 1821 O ILE A 119 13.035 15.535 -2.298 1.00 0.00 O ATOM 1822 CB ILE A 119 11.515 16.241 0.343 1.00 0.00 C ATOM 1823 CG1 ILE A 119 12.225 14.937 0.714 1.00 0.00 C ATOM 1824 CG2 ILE A 119 10.333 16.488 1.269 1.00 0.00 C ATOM 1825 CD1 ILE A 119 13.724 14.988 0.515 1.00 0.00 C ATOM 0 H ILE A 119 11.006 14.245 -1.888 1.00 0.00 H new ATOM 0 HA ILE A 119 10.307 16.980 -1.285 1.00 0.00 H new ATOM 0 HB ILE A 119 12.221 17.064 0.459 1.00 0.00 H new ATOM 0 HG12 ILE A 119 12.013 14.701 1.757 1.00 0.00 H new ATOM 0 HG13 ILE A 119 11.814 14.125 0.114 1.00 0.00 H new ATOM 0 HG21 ILE A 119 10.680 16.516 2.302 1.00 0.00 H new ATOM 0 HG22 ILE A 119 9.866 17.440 1.017 1.00 0.00 H new ATOM 0 HG23 ILE A 119 9.605 15.685 1.152 1.00 0.00 H new ATOM 0 HD11 ILE A 119 14.161 14.030 0.798 1.00 0.00 H new ATOM 0 HD12 ILE A 119 13.945 15.193 -0.532 1.00 0.00 H new ATOM 0 HD13 ILE A 119 14.147 15.777 1.136 1.00 0.00 H new ATOM 1837 N ASP A 120 12.375 17.675 -2.513 1.00 0.00 N ATOM 1838 CA ASP A 120 13.478 18.042 -3.393 1.00 0.00 C ATOM 1839 C ASP A 120 14.766 18.237 -2.598 1.00 0.00 C ATOM 1840 O ASP A 120 15.771 18.704 -3.132 1.00 0.00 O ATOM 1841 CB ASP A 120 13.141 19.319 -4.163 1.00 0.00 C ATOM 1842 CG ASP A 120 14.228 19.706 -5.147 1.00 0.00 C ATOM 1843 OD1 ASP A 120 14.367 19.016 -6.179 1.00 0.00 O ATOM 1844 OD2 ASP A 120 14.939 20.698 -4.886 1.00 0.00 O ATOM 0 H ASP A 120 11.730 18.437 -2.306 1.00 0.00 H new ATOM 0 HA ASP A 120 13.630 17.229 -4.103 1.00 0.00 H new ATOM 0 HB2 ASP A 120 12.202 19.179 -4.699 1.00 0.00 H new ATOM 0 HB3 ASP A 120 12.986 20.135 -3.457 1.00 0.00 H new ATOM 1849 N MET A 121 14.725 17.878 -1.319 1.00 0.00 N ATOM 1850 CA MET A 121 15.889 18.014 -0.450 1.00 0.00 C ATOM 1851 C MET A 121 16.350 19.466 -0.383 1.00 0.00 C ATOM 1852 O MET A 121 17.541 19.744 -0.249 1.00 0.00 O ATOM 1853 CB MET A 121 17.031 17.127 -0.950 1.00 0.00 C ATOM 1854 CG MET A 121 16.821 15.649 -0.666 1.00 0.00 C ATOM 1855 SD MET A 121 18.374 14.746 -0.499 1.00 0.00 S ATOM 1856 CE MET A 121 18.288 14.240 1.217 1.00 0.00 C ATOM 0 H MET A 121 13.900 17.491 -0.862 1.00 0.00 H new ATOM 0 HA MET A 121 15.603 17.695 0.552 1.00 0.00 H new ATOM 0 HB2 MET A 121 17.147 17.269 -2.024 1.00 0.00 H new ATOM 0 HB3 MET A 121 17.962 17.450 -0.483 1.00 0.00 H new ATOM 0 HG2 MET A 121 16.240 15.538 0.250 1.00 0.00 H new ATOM 0 HG3 MET A 121 16.234 15.208 -1.471 1.00 0.00 H new ATOM 0 HE1 MET A 121 19.181 13.669 1.473 1.00 0.00 H new ATOM 0 HE2 MET A 121 18.226 15.122 1.854 1.00 0.00 H new ATOM 0 HE3 MET A 121 17.405 13.620 1.370 1.00 0.00 H new ATOM 1866 N ASN A 122 15.398 20.390 -0.475 1.00 0.00 N ATOM 1867 CA ASN A 122 15.708 21.814 -0.425 1.00 0.00 C ATOM 1868 C ASN A 122 16.854 22.088 0.544 1.00 0.00 C ATOM 1869 O ASN A 122 17.096 23.232 0.926 1.00 0.00 O ATOM 1870 CB ASN A 122 14.470 22.612 -0.008 1.00 0.00 C ATOM 1871 CG ASN A 122 14.554 24.067 -0.425 1.00 0.00 C ATOM 1872 OD1 ASN A 122 13.560 24.524 -1.179 1.00 0.00 O flip ATOM 1873 ND2 ASN A 122 15.499 24.772 -0.073 1.00 0.00 N flip ATOM 0 H ASN A 122 14.406 20.178 -0.584 1.00 0.00 H new ATOM 0 HA ASN A 122 16.016 22.129 -1.422 1.00 0.00 H new ATOM 0 HB2 ASN A 122 13.583 22.160 -0.452 1.00 0.00 H new ATOM 0 HB3 ASN A 122 14.350 22.553 1.074 1.00 0.00 H new ATOM 0 HD21 ASN A 122 16.241 24.379 0.506 1.00 0.00 H new ATOM 0 HD22 ASN A 122 15.541 25.750 -0.361 1.00 0.00 H new TER 1880 ASN A 122