USER MOD reduce.3.24.130724 H: found=0, std=0, add=395, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 398 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= -0.963 X(o=-0.96,f=-0.62) USER MOD Single : A 23 ASN : amide:sc= -0.442 X(o=-0.44,f=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot -55:sc= -0.584 USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 GLN : amide:sc= -1.25 K(o=-1.2,f=-3.2!) USER MOD Single : A 35 SER OG : rot 12:sc= 1.07 USER MOD Single : A 36 SER OG : rot -84:sc= 0.528 USER MOD Single : A 41 ASN : amide:sc= -1.8 K(o=-1.8,f=-4.5!) USER MOD Single : A 44 GLN : amide:sc= -0.277 X(o=-0.28,f=-0.016) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 ASN : amide:sc= -1.35 X(o=-1.4,f=-0.98!) USER MOD Single : A 52 LYS NZ :NH3+ -153:sc= -0.411 (180deg=-1.59!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ -109:sc= -0.289 (180deg=-1.42!) USER MOD Single : A 58 LYS NZ :NH3+ 169:sc= -0.0187 (180deg=-0.16) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 16 -12.457 9.528 -17.001 1.00 0.00 N ATOM 2 CA ALA A 16 -12.322 9.722 -15.534 1.00 0.00 C ATOM 3 C ALA A 16 -12.596 8.424 -14.781 1.00 0.00 C ATOM 4 O ALA A 16 -13.026 7.433 -15.371 1.00 0.00 O ATOM 5 CB ALA A 16 -13.267 10.816 -15.058 1.00 0.00 C ATOM 0 HA ALA A 16 -11.296 10.024 -15.326 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -13.158 10.948 -13.982 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -13.026 11.751 -15.564 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -14.295 10.534 -15.287 1.00 0.00 H new ATOM 13 N LYS A 17 -12.343 8.438 -13.477 1.00 0.00 N ATOM 14 CA LYS A 17 -12.564 7.261 -12.644 1.00 0.00 C ATOM 15 C LYS A 17 -13.414 7.609 -11.426 1.00 0.00 C ATOM 16 O LYS A 17 -13.269 8.682 -10.841 1.00 0.00 O ATOM 17 CB LYS A 17 -11.226 6.671 -12.194 1.00 0.00 C ATOM 18 CG LYS A 17 -11.250 5.158 -12.040 1.00 0.00 C ATOM 19 CD LYS A 17 -10.196 4.488 -12.906 1.00 0.00 C ATOM 20 CE LYS A 17 -10.535 3.031 -13.173 1.00 0.00 C ATOM 21 NZ LYS A 17 -11.115 2.835 -14.531 1.00 0.00 N ATOM 0 H LYS A 17 -11.985 9.250 -12.974 1.00 0.00 H new ATOM 0 HA LYS A 17 -13.099 6.520 -13.239 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -10.457 6.942 -12.917 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -10.942 7.120 -11.243 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -11.083 4.896 -10.995 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -12.236 4.780 -12.310 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -10.109 5.021 -13.853 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -9.225 4.552 -12.414 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -9.635 2.425 -13.072 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -11.242 2.679 -12.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -11.332 1.828 -14.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -11.988 3.394 -14.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -10.430 3.146 -15.249 1.00 0.00 H new ATOM 35 N ARG A 18 -14.301 6.693 -11.051 1.00 0.00 N ATOM 36 CA ARG A 18 -15.176 6.902 -9.903 1.00 0.00 C ATOM 37 C ARG A 18 -14.364 7.079 -8.624 1.00 0.00 C ATOM 38 O ARG A 18 -14.783 7.782 -7.703 1.00 0.00 O ATOM 39 CB ARG A 18 -16.142 5.725 -9.749 1.00 0.00 C ATOM 40 CG ARG A 18 -17.112 5.882 -8.589 1.00 0.00 C ATOM 41 CD ARG A 18 -17.901 4.605 -8.347 1.00 0.00 C ATOM 42 NE ARG A 18 -19.227 4.876 -7.798 1.00 0.00 N ATOM 43 CZ ARG A 18 -19.455 5.157 -6.517 1.00 0.00 C ATOM 44 NH1 ARG A 18 -18.451 5.207 -5.652 1.00 0.00 N ATOM 45 NH2 ARG A 18 -20.692 5.392 -6.101 1.00 0.00 N ATOM 0 H ARG A 18 -14.433 5.799 -11.525 1.00 0.00 H new ATOM 0 HA ARG A 18 -15.749 7.813 -10.077 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -16.709 5.608 -10.673 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -15.567 4.810 -9.610 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -16.562 6.148 -7.686 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -17.799 6.702 -8.796 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -18.002 4.058 -9.284 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -17.349 3.963 -7.661 1.00 0.00 H new ATOM 0 HE ARG A 18 -20.025 4.848 -8.433 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -17.497 5.030 -5.967 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -18.633 5.423 -4.672 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -21.468 5.357 -6.762 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -20.868 5.607 -5.120 1.00 0.00 H new ATOM 59 N GLU A 19 -13.201 6.437 -8.571 1.00 0.00 N ATOM 60 CA GLU A 19 -12.333 6.523 -7.404 1.00 0.00 C ATOM 61 C GLU A 19 -10.864 6.481 -7.811 1.00 0.00 C ATOM 62 O GLU A 19 -10.533 6.145 -8.949 1.00 0.00 O ATOM 63 CB GLU A 19 -12.639 5.383 -6.429 1.00 0.00 C ATOM 64 CG GLU A 19 -12.761 5.835 -4.983 1.00 0.00 C ATOM 65 CD GLU A 19 -14.157 6.310 -4.636 1.00 0.00 C ATOM 66 OE1 GLU A 19 -15.025 5.455 -4.361 1.00 0.00 O ATOM 67 OE2 GLU A 19 -14.384 7.539 -4.640 1.00 0.00 O ATOM 0 H GLU A 19 -12.839 5.852 -9.324 1.00 0.00 H new ATOM 0 HA GLU A 19 -12.525 7.475 -6.910 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -13.568 4.899 -6.729 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -11.851 4.633 -6.501 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -12.488 5.011 -4.324 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -12.051 6.640 -4.797 1.00 0.00 H new ATOM 74 N PHE A 20 -9.985 6.822 -6.874 1.00 0.00 N ATOM 75 CA PHE A 20 -8.549 6.823 -7.132 1.00 0.00 C ATOM 76 C PHE A 20 -8.072 5.439 -7.556 1.00 0.00 C ATOM 77 O PHE A 20 -8.872 4.519 -7.726 1.00 0.00 O ATOM 78 CB PHE A 20 -7.786 7.272 -5.883 1.00 0.00 C ATOM 79 CG PHE A 20 -8.120 6.472 -4.656 1.00 0.00 C ATOM 80 CD1 PHE A 20 -7.778 5.131 -4.572 1.00 0.00 C ATOM 81 CD2 PHE A 20 -8.774 7.061 -3.586 1.00 0.00 C ATOM 82 CE1 PHE A 20 -8.085 4.394 -3.444 1.00 0.00 C ATOM 83 CE2 PHE A 20 -9.083 6.329 -2.456 1.00 0.00 C ATOM 84 CZ PHE A 20 -8.738 4.994 -2.385 1.00 0.00 C ATOM 0 H PHE A 20 -10.242 7.102 -5.927 1.00 0.00 H new ATOM 0 HA PHE A 20 -8.352 7.523 -7.944 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -6.716 7.198 -6.075 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -8.004 8.323 -5.692 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -7.266 4.657 -5.397 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -9.046 8.105 -3.636 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -7.815 3.350 -3.391 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -9.594 6.800 -1.629 1.00 0.00 H new ATOM 0 HZ PHE A 20 -8.978 4.420 -1.503 1.00 0.00 H new ATOM 94 N ASN A 21 -6.761 5.298 -7.718 1.00 0.00 N ATOM 95 CA ASN A 21 -6.170 4.026 -8.112 1.00 0.00 C ATOM 96 C ASN A 21 -6.038 3.100 -6.907 1.00 0.00 C ATOM 97 O ASN A 21 -5.462 3.472 -5.887 1.00 0.00 O ATOM 98 CB ASN A 21 -4.800 4.259 -8.753 1.00 0.00 C ATOM 99 CG ASN A 21 -4.829 4.084 -10.258 1.00 0.00 C ATOM 100 OD1 ASN A 21 -4.342 4.935 -11.004 1.00 0.00 O ATOM 101 ND2 ASN A 21 -5.401 2.975 -10.713 1.00 0.00 N ATOM 0 H ASN A 21 -6.087 6.051 -7.582 1.00 0.00 H new ATOM 0 HA ASN A 21 -6.825 3.550 -8.842 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -4.456 5.265 -8.514 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -4.078 3.565 -8.323 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -5.450 2.801 -11.717 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -5.792 2.297 -10.059 1.00 0.00 H new ATOM 108 N GLU A 22 -6.580 1.893 -7.029 1.00 0.00 N ATOM 109 CA GLU A 22 -6.523 0.918 -5.945 1.00 0.00 C ATOM 110 C GLU A 22 -5.326 -0.012 -6.113 1.00 0.00 C ATOM 111 O GLU A 22 -5.318 -0.876 -6.989 1.00 0.00 O ATOM 112 CB GLU A 22 -7.819 0.105 -5.892 1.00 0.00 C ATOM 113 CG GLU A 22 -8.683 0.423 -4.683 1.00 0.00 C ATOM 114 CD GLU A 22 -9.344 -0.811 -4.099 1.00 0.00 C ATOM 115 OE1 GLU A 22 -9.433 -1.831 -4.813 1.00 0.00 O ATOM 116 OE2 GLU A 22 -9.773 -0.756 -2.927 1.00 0.00 O ATOM 0 H GLU A 22 -7.063 1.566 -7.866 1.00 0.00 H new ATOM 0 HA GLU A 22 -6.407 1.460 -5.006 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -8.394 0.292 -6.799 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -7.573 -0.957 -5.884 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -8.070 0.899 -3.918 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -9.451 1.142 -4.969 1.00 0.00 H new ATOM 123 N ASN A 23 -4.315 0.175 -5.269 1.00 0.00 N ATOM 124 CA ASN A 23 -3.109 -0.644 -5.323 1.00 0.00 C ATOM 125 C ASN A 23 -2.392 -0.461 -6.651 1.00 0.00 C ATOM 126 O ASN A 23 -1.860 -1.407 -7.232 1.00 0.00 O ATOM 127 CB ASN A 23 -3.453 -2.110 -5.128 1.00 0.00 C ATOM 128 CG ASN A 23 -3.468 -2.519 -3.667 1.00 0.00 C ATOM 129 OD1 ASN A 23 -2.939 -3.568 -3.299 1.00 0.00 O ATOM 130 ND2 ASN A 23 -4.074 -1.690 -2.825 1.00 0.00 N ATOM 0 H ASN A 23 -4.308 0.887 -4.539 1.00 0.00 H new ATOM 0 HA ASN A 23 -2.448 -0.322 -4.518 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -4.430 -2.311 -5.567 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -2.730 -2.723 -5.665 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -4.114 -1.912 -1.830 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -4.500 -0.831 -3.173 1.00 0.00 H new ATOM 137 N ARG A 24 -2.390 0.770 -7.112 1.00 0.00 N ATOM 138 CA ARG A 24 -1.749 1.130 -8.372 1.00 0.00 C ATOM 139 C ARG A 24 -1.027 2.469 -8.244 1.00 0.00 C ATOM 140 O ARG A 24 0.111 2.625 -8.691 1.00 0.00 O ATOM 141 CB ARG A 24 -2.796 1.207 -9.485 1.00 0.00 C ATOM 142 CG ARG A 24 -3.641 -0.049 -9.607 1.00 0.00 C ATOM 143 CD ARG A 24 -2.888 -1.165 -10.313 1.00 0.00 C ATOM 144 NE ARG A 24 -3.340 -1.345 -11.691 1.00 0.00 N ATOM 145 CZ ARG A 24 -3.129 -2.450 -12.403 1.00 0.00 C ATOM 146 NH1 ARG A 24 -2.473 -3.475 -11.872 1.00 0.00 N ATOM 147 NH2 ARG A 24 -3.575 -2.530 -13.649 1.00 0.00 N ATOM 0 H ARG A 24 -2.830 1.554 -6.630 1.00 0.00 H new ATOM 0 HA ARG A 24 -1.016 0.363 -8.620 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -3.450 2.059 -9.300 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -2.293 1.391 -10.434 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -3.941 -0.384 -8.614 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -4.554 0.178 -10.157 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -1.821 -0.942 -10.308 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -3.022 -2.097 -9.763 1.00 0.00 H new ATOM 0 HE ARG A 24 -3.847 -0.579 -12.134 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -2.128 -3.418 -10.914 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -2.314 -4.319 -12.422 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -4.079 -1.745 -14.062 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -3.414 -3.376 -14.195 1.00 0.00 H new ATOM 161 N TYR A 25 -1.709 3.428 -7.635 1.00 0.00 N ATOM 162 CA TYR A 25 -1.172 4.769 -7.433 1.00 0.00 C ATOM 163 C TYR A 25 0.182 4.745 -6.731 1.00 0.00 C ATOM 164 O TYR A 25 1.121 5.423 -7.148 1.00 0.00 O ATOM 165 CB TYR A 25 -2.156 5.597 -6.604 1.00 0.00 C ATOM 166 CG TYR A 25 -2.335 5.083 -5.189 1.00 0.00 C ATOM 167 CD1 TYR A 25 -2.939 3.854 -4.947 1.00 0.00 C ATOM 168 CD2 TYR A 25 -1.895 5.820 -4.096 1.00 0.00 C ATOM 169 CE1 TYR A 25 -3.100 3.376 -3.661 1.00 0.00 C ATOM 170 CE2 TYR A 25 -2.053 5.348 -2.806 1.00 0.00 C ATOM 171 CZ TYR A 25 -2.655 4.126 -2.594 1.00 0.00 C ATOM 172 OH TYR A 25 -2.815 3.654 -1.312 1.00 0.00 O ATOM 0 H TYR A 25 -2.651 3.300 -7.266 1.00 0.00 H new ATOM 0 HA TYR A 25 -1.031 5.218 -8.416 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -1.808 6.629 -6.566 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -3.124 5.605 -7.105 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -3.289 3.262 -5.780 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -1.422 6.777 -4.257 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -3.572 2.419 -3.493 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -1.706 5.934 -1.968 1.00 0.00 H new ATOM 0 HH TYR A 25 -2.447 4.303 -0.676 1.00 0.00 H new ATOM 182 N LEU A 26 0.266 3.984 -5.645 1.00 0.00 N ATOM 183 CA LEU A 26 1.494 3.900 -4.866 1.00 0.00 C ATOM 184 C LEU A 26 1.959 2.455 -4.719 1.00 0.00 C ATOM 185 O LEU A 26 3.150 2.165 -4.807 1.00 0.00 O ATOM 186 CB LEU A 26 1.257 4.531 -3.487 1.00 0.00 C ATOM 187 CG LEU A 26 1.955 3.852 -2.302 1.00 0.00 C ATOM 188 CD1 LEU A 26 2.096 4.830 -1.146 1.00 0.00 C ATOM 189 CD2 LEU A 26 1.183 2.612 -1.865 1.00 0.00 C ATOM 0 H LEU A 26 -0.502 3.417 -5.285 1.00 0.00 H new ATOM 0 HA LEU A 26 2.281 4.444 -5.389 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.582 5.571 -3.526 1.00 0.00 H new ATOM 0 HB3 LEU A 26 0.184 4.539 -3.294 1.00 0.00 H new ATOM 0 HG LEU A 26 2.951 3.540 -2.616 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.593 4.337 -0.311 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.688 5.688 -1.465 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.108 5.168 -0.832 1.00 0.00 H new ATOM 0 HD21 LEU A 26 1.693 2.144 -1.023 1.00 0.00 H new ATOM 0 HD22 LEU A 26 0.175 2.898 -1.565 1.00 0.00 H new ATOM 0 HD23 LEU A 26 1.128 1.907 -2.694 1.00 0.00 H new ATOM 201 N THR A 27 1.009 1.558 -4.482 1.00 0.00 N ATOM 202 CA THR A 27 1.306 0.141 -4.306 1.00 0.00 C ATOM 203 C THR A 27 2.347 -0.352 -5.314 1.00 0.00 C ATOM 204 O THR A 27 3.423 -0.801 -4.933 1.00 0.00 O ATOM 205 CB THR A 27 0.014 -0.673 -4.428 1.00 0.00 C ATOM 206 OG1 THR A 27 -0.663 -0.725 -3.184 1.00 0.00 O ATOM 207 CG2 THR A 27 0.220 -2.100 -4.894 1.00 0.00 C ATOM 0 H THR A 27 0.018 1.790 -4.407 1.00 0.00 H new ATOM 0 HA THR A 27 1.731 0.004 -3.312 1.00 0.00 H new ATOM 0 HB THR A 27 -0.571 -0.152 -5.186 1.00 0.00 H new ATOM 0 HG1 THR A 27 -0.056 -1.068 -2.495 1.00 0.00 H new ATOM 0 HG21 THR A 27 -0.744 -2.606 -4.953 1.00 0.00 H new ATOM 0 HG22 THR A 27 0.690 -2.097 -5.878 1.00 0.00 H new ATOM 0 HG23 THR A 27 0.862 -2.625 -4.187 1.00 0.00 H new ATOM 215 N GLU A 28 2.012 -0.275 -6.596 1.00 0.00 N ATOM 216 CA GLU A 28 2.912 -0.728 -7.655 1.00 0.00 C ATOM 217 C GLU A 28 4.293 -0.082 -7.551 1.00 0.00 C ATOM 218 O GLU A 28 5.312 -0.770 -7.612 1.00 0.00 O ATOM 219 CB GLU A 28 2.304 -0.432 -9.027 1.00 0.00 C ATOM 220 CG GLU A 28 1.375 -1.525 -9.530 1.00 0.00 C ATOM 221 CD GLU A 28 2.022 -2.399 -10.587 1.00 0.00 C ATOM 222 OE1 GLU A 28 3.269 -2.414 -10.662 1.00 0.00 O ATOM 223 OE2 GLU A 28 1.283 -3.068 -11.339 1.00 0.00 O ATOM 0 H GLU A 28 1.123 0.097 -6.930 1.00 0.00 H new ATOM 0 HA GLU A 28 3.039 -1.804 -7.534 1.00 0.00 H new ATOM 0 HB2 GLU A 28 1.752 0.507 -8.976 1.00 0.00 H new ATOM 0 HB3 GLU A 28 3.109 -0.290 -9.749 1.00 0.00 H new ATOM 0 HG2 GLU A 28 1.063 -2.147 -8.691 1.00 0.00 H new ATOM 0 HG3 GLU A 28 0.474 -1.070 -9.942 1.00 0.00 H new ATOM 230 N ARG A 29 4.325 1.238 -7.410 1.00 0.00 N ATOM 231 CA ARG A 29 5.588 1.965 -7.315 1.00 0.00 C ATOM 232 C ARG A 29 6.347 1.604 -6.042 1.00 0.00 C ATOM 233 O ARG A 29 7.545 1.323 -6.081 1.00 0.00 O ATOM 234 CB ARG A 29 5.333 3.473 -7.360 1.00 0.00 C ATOM 235 CG ARG A 29 5.344 4.050 -8.766 1.00 0.00 C ATOM 236 CD ARG A 29 6.696 3.863 -9.435 1.00 0.00 C ATOM 237 NE ARG A 29 7.798 4.275 -8.567 1.00 0.00 N ATOM 238 CZ ARG A 29 9.062 3.898 -8.746 1.00 0.00 C ATOM 239 NH1 ARG A 29 9.389 3.104 -9.756 1.00 0.00 N ATOM 240 NH2 ARG A 29 10.002 4.318 -7.910 1.00 0.00 N ATOM 0 H ARG A 29 3.494 1.827 -7.359 1.00 0.00 H new ATOM 0 HA ARG A 29 6.203 1.676 -8.167 1.00 0.00 H new ATOM 0 HB2 ARG A 29 4.369 3.684 -6.897 1.00 0.00 H new ATOM 0 HB3 ARG A 29 6.091 3.979 -6.762 1.00 0.00 H new ATOM 0 HG2 ARG A 29 4.571 3.568 -9.364 1.00 0.00 H new ATOM 0 HG3 ARG A 29 5.100 5.112 -8.727 1.00 0.00 H new ATOM 0 HD2 ARG A 29 6.823 2.816 -9.710 1.00 0.00 H new ATOM 0 HD3 ARG A 29 6.726 4.441 -10.359 1.00 0.00 H new ATOM 0 HE ARG A 29 7.586 4.887 -7.779 1.00 0.00 H new ATOM 0 HH11 ARG A 29 8.670 2.778 -10.402 1.00 0.00 H new ATOM 0 HH12 ARG A 29 10.360 2.819 -9.887 1.00 0.00 H new ATOM 0 HH21 ARG A 29 9.756 4.929 -7.131 1.00 0.00 H new ATOM 0 HH22 ARG A 29 10.971 4.030 -8.046 1.00 0.00 H new ATOM 254 N ARG A 30 5.646 1.624 -4.916 1.00 0.00 N ATOM 255 CA ARG A 30 6.252 1.308 -3.628 1.00 0.00 C ATOM 256 C ARG A 30 6.522 -0.188 -3.487 1.00 0.00 C ATOM 257 O ARG A 30 7.381 -0.600 -2.708 1.00 0.00 O ATOM 258 CB ARG A 30 5.348 1.781 -2.489 1.00 0.00 C ATOM 259 CG ARG A 30 6.108 2.235 -1.254 1.00 0.00 C ATOM 260 CD ARG A 30 5.179 2.847 -0.219 1.00 0.00 C ATOM 261 NE ARG A 30 5.504 2.412 1.137 1.00 0.00 N ATOM 262 CZ ARG A 30 4.664 2.499 2.166 1.00 0.00 C ATOM 263 NH1 ARG A 30 3.449 3.005 1.998 1.00 0.00 N ATOM 264 NH2 ARG A 30 5.040 2.078 3.366 1.00 0.00 N ATOM 0 H ARG A 30 4.654 1.856 -4.868 1.00 0.00 H new ATOM 0 HA ARG A 30 7.207 1.830 -3.575 1.00 0.00 H new ATOM 0 HB2 ARG A 30 4.729 2.604 -2.846 1.00 0.00 H new ATOM 0 HB3 ARG A 30 4.673 0.971 -2.212 1.00 0.00 H new ATOM 0 HG2 ARG A 30 6.632 1.386 -0.816 1.00 0.00 H new ATOM 0 HG3 ARG A 30 6.866 2.964 -1.540 1.00 0.00 H new ATOM 0 HD2 ARG A 30 5.240 3.934 -0.275 1.00 0.00 H new ATOM 0 HD3 ARG A 30 4.149 2.574 -0.450 1.00 0.00 H new ATOM 0 HE ARG A 30 6.430 2.018 1.305 1.00 0.00 H new ATOM 0 HH11 ARG A 30 3.155 3.330 1.077 1.00 0.00 H new ATOM 0 HH12 ARG A 30 2.809 3.069 2.790 1.00 0.00 H new ATOM 0 HH21 ARG A 30 5.973 1.688 3.500 1.00 0.00 H new ATOM 0 HH22 ARG A 30 4.397 2.145 4.155 1.00 0.00 H new ATOM 278 N ARG A 31 5.783 -0.998 -4.237 1.00 0.00 N ATOM 279 CA ARG A 31 5.944 -2.446 -4.183 1.00 0.00 C ATOM 280 C ARG A 31 7.356 -2.852 -4.588 1.00 0.00 C ATOM 281 O ARG A 31 7.968 -3.717 -3.963 1.00 0.00 O ATOM 282 CB ARG A 31 4.922 -3.131 -5.095 1.00 0.00 C ATOM 283 CG ARG A 31 3.681 -3.618 -4.365 1.00 0.00 C ATOM 284 CD ARG A 31 3.071 -4.829 -5.052 1.00 0.00 C ATOM 285 NE ARG A 31 2.670 -4.536 -6.426 1.00 0.00 N ATOM 286 CZ ARG A 31 1.810 -5.277 -7.122 1.00 0.00 C ATOM 287 NH1 ARG A 31 1.260 -6.355 -6.576 1.00 0.00 N ATOM 288 NH2 ARG A 31 1.499 -4.940 -8.365 1.00 0.00 N ATOM 0 H ARG A 31 5.067 -0.677 -4.889 1.00 0.00 H new ATOM 0 HA ARG A 31 5.774 -2.766 -3.155 1.00 0.00 H new ATOM 0 HB2 ARG A 31 4.622 -2.434 -5.878 1.00 0.00 H new ATOM 0 HB3 ARG A 31 5.399 -3.978 -5.588 1.00 0.00 H new ATOM 0 HG2 ARG A 31 3.939 -3.873 -3.337 1.00 0.00 H new ATOM 0 HG3 ARG A 31 2.945 -2.815 -4.320 1.00 0.00 H new ATOM 0 HD2 ARG A 31 3.791 -5.647 -5.051 1.00 0.00 H new ATOM 0 HD3 ARG A 31 2.203 -5.168 -4.486 1.00 0.00 H new ATOM 0 HE ARG A 31 3.073 -3.715 -6.879 1.00 0.00 H new ATOM 0 HH11 ARG A 31 1.496 -6.619 -5.619 1.00 0.00 H new ATOM 0 HH12 ARG A 31 0.602 -6.919 -7.113 1.00 0.00 H new ATOM 0 HH21 ARG A 31 1.918 -4.113 -8.789 1.00 0.00 H new ATOM 0 HH22 ARG A 31 0.840 -5.508 -8.898 1.00 0.00 H new ATOM 302 N GLN A 32 7.866 -2.223 -5.640 1.00 0.00 N ATOM 303 CA GLN A 32 9.205 -2.519 -6.131 1.00 0.00 C ATOM 304 C GLN A 32 10.266 -2.072 -5.131 1.00 0.00 C ATOM 305 O GLN A 32 11.281 -2.744 -4.945 1.00 0.00 O ATOM 306 CB GLN A 32 9.440 -1.835 -7.480 1.00 0.00 C ATOM 307 CG GLN A 32 10.776 -2.187 -8.115 1.00 0.00 C ATOM 308 CD GLN A 32 10.633 -2.689 -9.539 1.00 0.00 C ATOM 309 OE1 GLN A 32 11.083 -2.043 -10.486 1.00 0.00 O ATOM 310 NE2 GLN A 32 10.002 -3.847 -9.697 1.00 0.00 N ATOM 0 H GLN A 32 7.372 -1.505 -6.169 1.00 0.00 H new ATOM 0 HA GLN A 32 9.285 -3.599 -6.259 1.00 0.00 H new ATOM 0 HB2 GLN A 32 8.638 -2.113 -8.164 1.00 0.00 H new ATOM 0 HB3 GLN A 32 9.384 -0.755 -7.345 1.00 0.00 H new ATOM 0 HG2 GLN A 32 11.420 -1.308 -8.107 1.00 0.00 H new ATOM 0 HG3 GLN A 32 11.270 -2.950 -7.513 1.00 0.00 H new ATOM 0 HE21 GLN A 32 9.645 -4.349 -8.884 1.00 0.00 H new ATOM 0 HE22 GLN A 32 9.874 -4.235 -10.632 1.00 0.00 H new ATOM 319 N GLN A 33 10.026 -0.932 -4.492 1.00 0.00 N ATOM 320 CA GLN A 33 10.963 -0.395 -3.512 1.00 0.00 C ATOM 321 C GLN A 33 10.891 -1.167 -2.199 1.00 0.00 C ATOM 322 O GLN A 33 11.919 -1.495 -1.607 1.00 0.00 O ATOM 323 CB GLN A 33 10.679 1.088 -3.263 1.00 0.00 C ATOM 324 CG GLN A 33 11.057 1.984 -4.431 1.00 0.00 C ATOM 325 CD GLN A 33 10.125 3.170 -4.581 1.00 0.00 C ATOM 326 OE1 GLN A 33 9.427 3.303 -5.587 1.00 0.00 O ATOM 327 NE2 GLN A 33 10.106 4.040 -3.577 1.00 0.00 N ATOM 0 H GLN A 33 9.192 -0.363 -4.635 1.00 0.00 H new ATOM 0 HA GLN A 33 11.969 -0.504 -3.916 1.00 0.00 H new ATOM 0 HB2 GLN A 33 9.618 1.215 -3.047 1.00 0.00 H new ATOM 0 HB3 GLN A 33 11.226 1.410 -2.377 1.00 0.00 H new ATOM 0 HG2 GLN A 33 12.077 2.343 -4.293 1.00 0.00 H new ATOM 0 HG3 GLN A 33 11.046 1.399 -5.351 1.00 0.00 H new ATOM 0 HE21 GLN A 33 10.701 3.891 -2.762 1.00 0.00 H new ATOM 0 HE22 GLN A 33 9.497 4.857 -3.621 1.00 0.00 H new ATOM 336 N LEU A 34 9.675 -1.454 -1.748 1.00 0.00 N ATOM 337 CA LEU A 34 9.482 -2.188 -0.503 1.00 0.00 C ATOM 338 C LEU A 34 10.044 -3.599 -0.619 1.00 0.00 C ATOM 339 O LEU A 34 10.655 -4.114 0.318 1.00 0.00 O ATOM 340 CB LEU A 34 7.998 -2.237 -0.136 1.00 0.00 C ATOM 341 CG LEU A 34 7.556 -1.196 0.893 1.00 0.00 C ATOM 342 CD1 LEU A 34 6.066 -0.927 0.778 1.00 0.00 C ATOM 343 CD2 LEU A 34 7.910 -1.654 2.300 1.00 0.00 C ATOM 0 H LEU A 34 8.812 -1.191 -2.223 1.00 0.00 H new ATOM 0 HA LEU A 34 10.020 -1.666 0.289 1.00 0.00 H new ATOM 0 HB2 LEU A 34 7.409 -2.103 -1.043 1.00 0.00 H new ATOM 0 HB3 LEU A 34 7.766 -3.230 0.250 1.00 0.00 H new ATOM 0 HG LEU A 34 8.087 -0.266 0.690 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.772 -0.184 1.519 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.840 -0.553 -0.221 1.00 0.00 H new ATOM 0 HD13 LEU A 34 5.515 -1.851 0.953 1.00 0.00 H new ATOM 0 HD21 LEU A 34 7.588 -0.901 3.019 1.00 0.00 H new ATOM 0 HD22 LEU A 34 7.407 -2.597 2.513 1.00 0.00 H new ATOM 0 HD23 LEU A 34 8.988 -1.792 2.377 1.00 0.00 H new ATOM 355 N SER A 35 9.839 -4.217 -1.776 1.00 0.00 N ATOM 356 CA SER A 35 10.332 -5.566 -2.017 1.00 0.00 C ATOM 357 C SER A 35 11.853 -5.608 -1.913 1.00 0.00 C ATOM 358 O SER A 35 12.414 -6.458 -1.224 1.00 0.00 O ATOM 359 CB SER A 35 9.887 -6.056 -3.396 1.00 0.00 C ATOM 360 OG SER A 35 9.957 -7.469 -3.482 1.00 0.00 O ATOM 0 H SER A 35 9.335 -3.805 -2.561 1.00 0.00 H new ATOM 0 HA SER A 35 9.913 -6.225 -1.256 1.00 0.00 H new ATOM 0 HB2 SER A 35 8.866 -5.727 -3.590 1.00 0.00 H new ATOM 0 HB3 SER A 35 10.518 -5.610 -4.165 1.00 0.00 H new ATOM 0 HG SER A 35 10.089 -7.845 -2.587 1.00 0.00 H new ATOM 366 N SER A 36 12.513 -4.683 -2.603 1.00 0.00 N ATOM 367 CA SER A 36 13.970 -4.611 -2.588 1.00 0.00 C ATOM 368 C SER A 36 14.486 -4.188 -1.216 1.00 0.00 C ATOM 369 O SER A 36 15.511 -4.683 -0.747 1.00 0.00 O ATOM 370 CB SER A 36 14.463 -3.631 -3.655 1.00 0.00 C ATOM 371 OG SER A 36 13.845 -2.364 -3.509 1.00 0.00 O ATOM 0 H SER A 36 12.062 -3.973 -3.180 1.00 0.00 H new ATOM 0 HA SER A 36 14.358 -5.606 -2.808 1.00 0.00 H new ATOM 0 HB2 SER A 36 15.545 -3.522 -3.581 1.00 0.00 H new ATOM 0 HB3 SER A 36 14.250 -4.031 -4.646 1.00 0.00 H new ATOM 0 HG SER A 36 12.973 -2.372 -3.955 1.00 0.00 H new ATOM 377 N GLU A 37 13.774 -3.262 -0.580 1.00 0.00 N ATOM 378 CA GLU A 37 14.164 -2.762 0.735 1.00 0.00 C ATOM 379 C GLU A 37 13.967 -3.822 1.815 1.00 0.00 C ATOM 380 O GLU A 37 14.835 -4.020 2.665 1.00 0.00 O ATOM 381 CB GLU A 37 13.358 -1.509 1.085 1.00 0.00 C ATOM 382 CG GLU A 37 14.053 -0.213 0.699 1.00 0.00 C ATOM 383 CD GLU A 37 14.818 0.405 1.853 1.00 0.00 C ATOM 384 OE1 GLU A 37 14.371 0.253 3.010 1.00 0.00 O ATOM 385 OE2 GLU A 37 15.863 1.039 1.601 1.00 0.00 O ATOM 0 H GLU A 37 12.923 -2.842 -0.954 1.00 0.00 H new ATOM 0 HA GLU A 37 15.224 -2.511 0.694 1.00 0.00 H new ATOM 0 HB2 GLU A 37 12.391 -1.557 0.584 1.00 0.00 H new ATOM 0 HB3 GLU A 37 13.161 -1.501 2.157 1.00 0.00 H new ATOM 0 HG2 GLU A 37 14.739 -0.405 -0.126 1.00 0.00 H new ATOM 0 HG3 GLU A 37 13.311 0.499 0.337 1.00 0.00 H new ATOM 392 N LEU A 38 12.823 -4.496 1.782 1.00 0.00 N ATOM 393 CA LEU A 38 12.519 -5.528 2.768 1.00 0.00 C ATOM 394 C LEU A 38 13.114 -6.874 2.362 1.00 0.00 C ATOM 395 O LEU A 38 13.307 -7.754 3.200 1.00 0.00 O ATOM 396 CB LEU A 38 11.006 -5.657 2.947 1.00 0.00 C ATOM 397 CG LEU A 38 10.317 -4.431 3.549 1.00 0.00 C ATOM 398 CD1 LEU A 38 8.806 -4.559 3.437 1.00 0.00 C ATOM 399 CD2 LEU A 38 10.734 -4.246 5.000 1.00 0.00 C ATOM 0 H LEU A 38 12.092 -4.348 1.086 1.00 0.00 H new ATOM 0 HA LEU A 38 12.969 -5.231 3.715 1.00 0.00 H new ATOM 0 HB2 LEU A 38 10.557 -5.866 1.976 1.00 0.00 H new ATOM 0 HB3 LEU A 38 10.803 -6.518 3.584 1.00 0.00 H new ATOM 0 HG LEU A 38 10.627 -3.550 2.988 1.00 0.00 H new ATOM 0 HD11 LEU A 38 8.333 -3.678 3.870 1.00 0.00 H new ATOM 0 HD12 LEU A 38 8.525 -4.642 2.387 1.00 0.00 H new ATOM 0 HD13 LEU A 38 8.476 -5.449 3.973 1.00 0.00 H new ATOM 0 HD21 LEU A 38 10.235 -3.369 5.413 1.00 0.00 H new ATOM 0 HD22 LEU A 38 10.453 -5.128 5.575 1.00 0.00 H new ATOM 0 HD23 LEU A 38 11.814 -4.107 5.053 1.00 0.00 H new ATOM 411 N GLY A 39 13.406 -7.029 1.074 1.00 0.00 N ATOM 412 CA GLY A 39 13.981 -8.269 0.588 1.00 0.00 C ATOM 413 C GLY A 39 12.996 -9.421 0.615 1.00 0.00 C ATOM 414 O GLY A 39 13.395 -10.583 0.697 1.00 0.00 O ATOM 0 H GLY A 39 13.254 -6.318 0.359 1.00 0.00 H new ATOM 0 HA2 GLY A 39 14.337 -8.124 -0.432 1.00 0.00 H new ATOM 0 HA3 GLY A 39 14.849 -8.525 1.195 1.00 0.00 H new ATOM 418 N LEU A 40 11.707 -9.103 0.544 1.00 0.00 N ATOM 419 CA LEU A 40 10.669 -10.129 0.558 1.00 0.00 C ATOM 420 C LEU A 40 10.044 -10.293 -0.820 1.00 0.00 C ATOM 421 O LEU A 40 10.186 -9.432 -1.689 1.00 0.00 O ATOM 422 CB LEU A 40 9.577 -9.791 1.579 1.00 0.00 C ATOM 423 CG LEU A 40 9.401 -8.306 1.887 1.00 0.00 C ATOM 424 CD1 LEU A 40 8.978 -7.552 0.635 1.00 0.00 C ATOM 425 CD2 LEU A 40 8.380 -8.115 2.999 1.00 0.00 C ATOM 0 H LEU A 40 11.357 -8.147 0.476 1.00 0.00 H new ATOM 0 HA LEU A 40 11.143 -11.068 0.844 1.00 0.00 H new ATOM 0 HB2 LEU A 40 8.628 -10.183 1.213 1.00 0.00 H new ATOM 0 HB3 LEU A 40 9.800 -10.313 2.509 1.00 0.00 H new ATOM 0 HG LEU A 40 10.356 -7.903 2.224 1.00 0.00 H new ATOM 0 HD11 LEU A 40 8.857 -6.495 0.871 1.00 0.00 H new ATOM 0 HD12 LEU A 40 9.742 -7.667 -0.134 1.00 0.00 H new ATOM 0 HD13 LEU A 40 8.032 -7.953 0.271 1.00 0.00 H new ATOM 0 HD21 LEU A 40 8.265 -7.052 3.208 1.00 0.00 H new ATOM 0 HD22 LEU A 40 7.421 -8.530 2.688 1.00 0.00 H new ATOM 0 HD23 LEU A 40 8.722 -8.627 3.899 1.00 0.00 H new ATOM 437 N ASN A 41 9.345 -11.404 -1.005 1.00 0.00 N ATOM 438 CA ASN A 41 8.684 -11.694 -2.270 1.00 0.00 C ATOM 439 C ASN A 41 7.343 -10.971 -2.346 1.00 0.00 C ATOM 440 O ASN A 41 6.687 -10.749 -1.328 1.00 0.00 O ATOM 441 CB ASN A 41 8.484 -13.205 -2.422 1.00 0.00 C ATOM 442 CG ASN A 41 7.673 -13.572 -3.652 1.00 0.00 C ATOM 443 OD1 ASN A 41 6.715 -14.339 -3.570 1.00 0.00 O ATOM 444 ND2 ASN A 41 8.057 -13.027 -4.799 1.00 0.00 N ATOM 0 H ASN A 41 9.221 -12.122 -0.292 1.00 0.00 H new ATOM 0 HA ASN A 41 9.314 -11.339 -3.085 1.00 0.00 H new ATOM 0 HB2 ASN A 41 9.458 -13.692 -2.476 1.00 0.00 H new ATOM 0 HB3 ASN A 41 7.983 -13.591 -1.534 1.00 0.00 H new ATOM 0 HD21 ASN A 41 7.551 -13.239 -5.659 1.00 0.00 H new ATOM 0 HD22 ASN A 41 8.858 -12.396 -4.821 1.00 0.00 H new ATOM 451 N GLU A 42 6.936 -10.611 -3.560 1.00 0.00 N ATOM 452 CA GLU A 42 5.669 -9.919 -3.772 1.00 0.00 C ATOM 453 C GLU A 42 4.531 -10.672 -3.094 1.00 0.00 C ATOM 454 O GLU A 42 3.540 -10.079 -2.670 1.00 0.00 O ATOM 455 CB GLU A 42 5.383 -9.801 -5.266 1.00 0.00 C ATOM 456 CG GLU A 42 6.463 -9.061 -6.037 1.00 0.00 C ATOM 457 CD GLU A 42 5.927 -8.372 -7.277 1.00 0.00 C ATOM 458 OE1 GLU A 42 5.269 -9.050 -8.095 1.00 0.00 O ATOM 459 OE2 GLU A 42 6.164 -7.155 -7.430 1.00 0.00 O ATOM 0 H GLU A 42 7.467 -10.788 -4.413 1.00 0.00 H new ATOM 0 HA GLU A 42 5.743 -8.922 -3.337 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.270 -10.801 -5.685 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.432 -9.287 -5.406 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.926 -8.320 -5.386 1.00 0.00 H new ATOM 0 HG3 GLU A 42 7.244 -9.764 -6.326 1.00 0.00 H new ATOM 466 N ALA A 43 4.689 -11.986 -2.984 1.00 0.00 N ATOM 467 CA ALA A 43 3.678 -12.819 -2.341 1.00 0.00 C ATOM 468 C ALA A 43 3.468 -12.345 -0.909 1.00 0.00 C ATOM 469 O ALA A 43 2.347 -12.328 -0.399 1.00 0.00 O ATOM 470 CB ALA A 43 4.097 -14.281 -2.370 1.00 0.00 C ATOM 0 H ALA A 43 5.502 -12.496 -3.329 1.00 0.00 H new ATOM 0 HA ALA A 43 2.738 -12.729 -2.885 1.00 0.00 H new ATOM 0 HB1 ALA A 43 3.332 -14.888 -1.886 1.00 0.00 H new ATOM 0 HB2 ALA A 43 4.217 -14.605 -3.404 1.00 0.00 H new ATOM 0 HB3 ALA A 43 5.042 -14.399 -1.840 1.00 0.00 H new ATOM 476 N GLN A 44 4.560 -11.914 -0.288 1.00 0.00 N ATOM 477 CA GLN A 44 4.524 -11.377 1.064 1.00 0.00 C ATOM 478 C GLN A 44 4.001 -9.949 1.015 1.00 0.00 C ATOM 479 O GLN A 44 3.390 -9.458 1.961 1.00 0.00 O ATOM 480 CB GLN A 44 5.925 -11.381 1.669 1.00 0.00 C ATOM 481 CG GLN A 44 6.352 -12.729 2.226 1.00 0.00 C ATOM 482 CD GLN A 44 6.325 -12.771 3.743 1.00 0.00 C ATOM 483 OE1 GLN A 44 7.196 -13.368 4.373 1.00 0.00 O ATOM 484 NE2 GLN A 44 5.321 -12.133 4.337 1.00 0.00 N ATOM 0 H GLN A 44 5.490 -11.927 -0.706 1.00 0.00 H new ATOM 0 HA GLN A 44 3.871 -11.995 1.680 1.00 0.00 H new ATOM 0 HB2 GLN A 44 6.640 -11.071 0.907 1.00 0.00 H new ATOM 0 HB3 GLN A 44 5.968 -10.639 2.467 1.00 0.00 H new ATOM 0 HG2 GLN A 44 5.694 -13.505 1.833 1.00 0.00 H new ATOM 0 HG3 GLN A 44 7.359 -12.959 1.878 1.00 0.00 H new ATOM 0 HE21 GLN A 44 4.620 -11.650 3.775 1.00 0.00 H new ATOM 0 HE22 GLN A 44 5.252 -12.126 5.355 1.00 0.00 H new ATOM 493 N ILE A 45 4.258 -9.298 -0.116 1.00 0.00 N ATOM 494 CA ILE A 45 3.832 -7.927 -0.338 1.00 0.00 C ATOM 495 C ILE A 45 2.310 -7.843 -0.382 1.00 0.00 C ATOM 496 O ILE A 45 1.716 -6.943 0.209 1.00 0.00 O ATOM 497 CB ILE A 45 4.433 -7.378 -1.654 1.00 0.00 C ATOM 498 CG1 ILE A 45 5.944 -7.191 -1.496 1.00 0.00 C ATOM 499 CG2 ILE A 45 3.776 -6.070 -2.069 1.00 0.00 C ATOM 500 CD1 ILE A 45 6.321 -6.046 -0.580 1.00 0.00 C ATOM 0 H ILE A 45 4.766 -9.708 -0.900 1.00 0.00 H new ATOM 0 HA ILE A 45 4.193 -7.318 0.491 1.00 0.00 H new ATOM 0 HB ILE A 45 4.240 -8.105 -2.443 1.00 0.00 H new ATOM 0 HG12 ILE A 45 6.377 -8.113 -1.108 1.00 0.00 H new ATOM 0 HG13 ILE A 45 6.385 -7.020 -2.478 1.00 0.00 H new ATOM 0 HG21 ILE A 45 4.225 -5.716 -2.997 1.00 0.00 H new ATOM 0 HG22 ILE A 45 2.709 -6.231 -2.220 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.923 -5.325 -1.287 1.00 0.00 H new ATOM 0 HD11 ILE A 45 7.407 -5.974 -0.516 1.00 0.00 H new ATOM 0 HD12 ILE A 45 5.918 -5.114 -0.977 1.00 0.00 H new ATOM 0 HD13 ILE A 45 5.910 -6.225 0.414 1.00 0.00 H new ATOM 512 N LYS A 46 1.677 -8.798 -1.056 1.00 0.00 N ATOM 513 CA LYS A 46 0.220 -8.826 -1.133 1.00 0.00 C ATOM 514 C LYS A 46 -0.354 -8.878 0.277 1.00 0.00 C ATOM 515 O LYS A 46 -1.271 -8.130 0.622 1.00 0.00 O ATOM 516 CB LYS A 46 -0.253 -10.035 -1.943 1.00 0.00 C ATOM 517 CG LYS A 46 -1.585 -9.817 -2.640 1.00 0.00 C ATOM 518 CD LYS A 46 -1.395 -9.429 -4.098 1.00 0.00 C ATOM 519 CE LYS A 46 -2.719 -9.393 -4.842 1.00 0.00 C ATOM 520 NZ LYS A 46 -2.760 -8.300 -5.852 1.00 0.00 N ATOM 0 H LYS A 46 2.145 -9.556 -1.553 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.130 -7.924 -1.636 1.00 0.00 H new ATOM 0 HB2 LYS A 46 0.502 -10.280 -2.690 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -0.336 -10.896 -1.280 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -2.182 -10.727 -2.580 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -2.143 -9.035 -2.124 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -0.917 -8.451 -4.156 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -0.725 -10.140 -4.580 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -2.883 -10.350 -5.337 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -3.532 -9.259 -4.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -3.680 -8.310 -6.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -2.629 -7.384 -5.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -2.000 -8.442 -6.548 1.00 0.00 H new ATOM 534 N ILE A 47 0.224 -9.751 1.092 1.00 0.00 N ATOM 535 CA ILE A 47 -0.178 -9.906 2.483 1.00 0.00 C ATOM 536 C ILE A 47 0.210 -8.664 3.271 1.00 0.00 C ATOM 537 O ILE A 47 -0.531 -8.181 4.126 1.00 0.00 O ATOM 538 CB ILE A 47 0.522 -11.134 3.118 1.00 0.00 C ATOM 539 CG1 ILE A 47 -0.251 -12.426 2.828 1.00 0.00 C ATOM 540 CG2 ILE A 47 0.718 -10.943 4.620 1.00 0.00 C ATOM 541 CD1 ILE A 47 -1.741 -12.317 3.052 1.00 0.00 C ATOM 0 H ILE A 47 0.983 -10.370 0.808 1.00 0.00 H new ATOM 0 HA ILE A 47 -1.258 -10.049 2.513 1.00 0.00 H new ATOM 0 HB ILE A 47 1.507 -11.223 2.660 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -0.070 -12.720 1.794 1.00 0.00 H new ATOM 0 HG13 ILE A 47 0.143 -13.222 3.460 1.00 0.00 H new ATOM 0 HG21 ILE A 47 1.211 -11.821 5.037 1.00 0.00 H new ATOM 0 HG22 ILE A 47 1.334 -10.062 4.797 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -0.252 -10.810 5.099 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -2.214 -13.272 2.825 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -1.934 -12.055 4.092 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -2.151 -11.545 2.401 1.00 0.00 H new ATOM 553 N TRP A 48 1.399 -8.176 2.968 1.00 0.00 N ATOM 554 CA TRP A 48 1.965 -7.009 3.617 1.00 0.00 C ATOM 555 C TRP A 48 1.088 -5.788 3.395 1.00 0.00 C ATOM 556 O TRP A 48 0.729 -5.085 4.340 1.00 0.00 O ATOM 557 CB TRP A 48 3.358 -6.795 3.025 1.00 0.00 C ATOM 558 CG TRP A 48 4.138 -5.646 3.573 1.00 0.00 C ATOM 559 CD1 TRP A 48 5.220 -5.721 4.395 1.00 0.00 C ATOM 560 CD2 TRP A 48 3.937 -4.255 3.304 1.00 0.00 C ATOM 561 NE1 TRP A 48 5.703 -4.466 4.648 1.00 0.00 N ATOM 562 CE2 TRP A 48 4.933 -3.550 3.997 1.00 0.00 C ATOM 563 CE3 TRP A 48 3.014 -3.537 2.549 1.00 0.00 C ATOM 564 CZ2 TRP A 48 5.035 -2.165 3.954 1.00 0.00 C ATOM 565 CZ3 TRP A 48 3.114 -2.162 2.506 1.00 0.00 C ATOM 566 CH2 TRP A 48 4.118 -1.490 3.203 1.00 0.00 C ATOM 0 H TRP A 48 2.005 -8.584 2.256 1.00 0.00 H new ATOM 0 HA TRP A 48 2.027 -7.162 4.695 1.00 0.00 H new ATOM 0 HB2 TRP A 48 3.938 -7.706 3.176 1.00 0.00 H new ATOM 0 HB3 TRP A 48 3.255 -6.657 1.949 1.00 0.00 H new ATOM 0 HD1 TRP A 48 5.636 -6.636 4.790 1.00 0.00 H new ATOM 0 HE1 TRP A 48 6.511 -4.251 5.232 1.00 0.00 H new ATOM 0 HE3 TRP A 48 2.233 -4.048 2.006 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 5.811 -1.643 4.495 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 2.403 -1.596 1.923 1.00 0.00 H new ATOM 0 HH2 TRP A 48 4.170 -0.413 3.147 1.00 0.00 H new ATOM 577 N PHE A 49 0.743 -5.549 2.142 1.00 0.00 N ATOM 578 CA PHE A 49 -0.102 -4.418 1.791 1.00 0.00 C ATOM 579 C PHE A 49 -1.517 -4.614 2.291 1.00 0.00 C ATOM 580 O PHE A 49 -2.136 -3.689 2.814 1.00 0.00 O ATOM 581 CB PHE A 49 -0.061 -4.159 0.289 1.00 0.00 C ATOM 582 CG PHE A 49 1.101 -3.290 -0.064 1.00 0.00 C ATOM 583 CD1 PHE A 49 0.971 -1.915 -0.076 1.00 0.00 C ATOM 584 CD2 PHE A 49 2.337 -3.850 -0.318 1.00 0.00 C ATOM 585 CE1 PHE A 49 2.064 -1.108 -0.335 1.00 0.00 C ATOM 586 CE2 PHE A 49 3.431 -3.054 -0.588 1.00 0.00 C ATOM 587 CZ PHE A 49 3.297 -1.683 -0.591 1.00 0.00 C ATOM 0 H PHE A 49 1.034 -6.122 1.350 1.00 0.00 H new ATOM 0 HA PHE A 49 0.292 -3.531 2.288 1.00 0.00 H new ATOM 0 HB2 PHE A 49 0.010 -5.106 -0.247 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -0.988 -3.682 -0.028 1.00 0.00 H new ATOM 0 HD1 PHE A 49 0.008 -1.466 0.118 1.00 0.00 H new ATOM 0 HD2 PHE A 49 2.449 -4.924 -0.305 1.00 0.00 H new ATOM 0 HE1 PHE A 49 1.956 -0.033 -0.338 1.00 0.00 H new ATOM 0 HE2 PHE A 49 4.390 -3.505 -0.796 1.00 0.00 H new ATOM 0 HZ PHE A 49 4.154 -1.057 -0.793 1.00 0.00 H new ATOM 597 N GLN A 50 -2.026 -5.824 2.129 1.00 0.00 N ATOM 598 CA GLN A 50 -3.370 -6.128 2.570 1.00 0.00 C ATOM 599 C GLN A 50 -3.465 -6.049 4.091 1.00 0.00 C ATOM 600 O GLN A 50 -4.513 -5.710 4.641 1.00 0.00 O ATOM 601 CB GLN A 50 -3.797 -7.515 2.087 1.00 0.00 C ATOM 602 CG GLN A 50 -4.117 -7.572 0.602 1.00 0.00 C ATOM 603 CD GLN A 50 -5.529 -8.048 0.326 1.00 0.00 C ATOM 604 OE1 GLN A 50 -6.502 -7.417 0.740 1.00 0.00 O ATOM 605 NE2 GLN A 50 -5.649 -9.170 -0.376 1.00 0.00 N ATOM 0 H GLN A 50 -1.530 -6.604 1.698 1.00 0.00 H new ATOM 0 HA GLN A 50 -4.044 -5.388 2.138 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -3.002 -8.227 2.306 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -4.674 -7.833 2.651 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -3.980 -6.582 0.167 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -3.410 -8.238 0.107 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -4.815 -9.661 -0.699 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -6.575 -9.540 -0.591 1.00 0.00 H new ATOM 614 N ASN A 51 -2.361 -6.367 4.771 1.00 0.00 N ATOM 615 CA ASN A 51 -2.329 -6.331 6.229 1.00 0.00 C ATOM 616 C ASN A 51 -2.163 -4.900 6.736 1.00 0.00 C ATOM 617 O ASN A 51 -2.819 -4.492 7.694 1.00 0.00 O ATOM 618 CB ASN A 51 -1.190 -7.205 6.757 1.00 0.00 C ATOM 619 CG ASN A 51 -1.586 -8.665 6.865 1.00 0.00 C ATOM 620 OD1 ASN A 51 -1.905 -9.310 5.866 1.00 0.00 O ATOM 621 ND2 ASN A 51 -1.567 -9.194 8.083 1.00 0.00 N ATOM 0 H ASN A 51 -1.483 -6.650 4.335 1.00 0.00 H new ATOM 0 HA ASN A 51 -3.278 -6.720 6.597 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -0.328 -7.113 6.096 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -0.881 -6.842 7.737 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -1.823 -10.172 8.218 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -1.296 -8.622 8.883 1.00 0.00 H new ATOM 628 N LYS A 52 -1.283 -4.146 6.087 1.00 0.00 N ATOM 629 CA LYS A 52 -1.031 -2.761 6.472 1.00 0.00 C ATOM 630 C LYS A 52 -2.274 -1.901 6.259 1.00 0.00 C ATOM 631 O LYS A 52 -2.483 -0.912 6.961 1.00 0.00 O ATOM 632 CB LYS A 52 0.144 -2.194 5.673 1.00 0.00 C ATOM 633 CG LYS A 52 1.222 -1.566 6.542 1.00 0.00 C ATOM 634 CD LYS A 52 1.782 -0.301 5.910 1.00 0.00 C ATOM 635 CE LYS A 52 2.109 0.749 6.960 1.00 0.00 C ATOM 636 NZ LYS A 52 0.962 0.993 7.877 1.00 0.00 N ATOM 0 H LYS A 52 -0.732 -4.470 5.292 1.00 0.00 H new ATOM 0 HA LYS A 52 -0.780 -2.744 7.533 1.00 0.00 H new ATOM 0 HB2 LYS A 52 0.587 -2.992 5.078 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -0.230 -1.446 4.974 1.00 0.00 H new ATOM 0 HG2 LYS A 52 0.809 -1.331 7.523 1.00 0.00 H new ATOM 0 HG3 LYS A 52 2.028 -2.283 6.699 1.00 0.00 H new ATOM 0 HD2 LYS A 52 2.681 -0.543 5.344 1.00 0.00 H new ATOM 0 HD3 LYS A 52 1.059 0.104 5.202 1.00 0.00 H new ATOM 0 HE2 LYS A 52 2.974 0.426 7.539 1.00 0.00 H new ATOM 0 HE3 LYS A 52 2.385 1.681 6.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 1.018 1.961 8.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 0.070 0.874 7.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 0.996 0.314 8.664 1.00 0.00 H new ATOM 650 N ARG A 53 -3.092 -2.282 5.283 1.00 0.00 N ATOM 651 CA ARG A 53 -4.313 -1.544 4.976 1.00 0.00 C ATOM 652 C ARG A 53 -5.511 -2.103 5.743 1.00 0.00 C ATOM 653 O ARG A 53 -6.659 -1.836 5.393 1.00 0.00 O ATOM 654 CB ARG A 53 -4.594 -1.596 3.475 1.00 0.00 C ATOM 655 CG ARG A 53 -3.852 -0.536 2.678 1.00 0.00 C ATOM 656 CD ARG A 53 -4.534 0.819 2.786 1.00 0.00 C ATOM 657 NE ARG A 53 -3.595 1.922 2.593 1.00 0.00 N ATOM 658 CZ ARG A 53 -3.964 3.165 2.290 1.00 0.00 C ATOM 659 NH1 ARG A 53 -5.248 3.467 2.145 1.00 0.00 N ATOM 660 NH2 ARG A 53 -3.045 4.108 2.131 1.00 0.00 N ATOM 0 H ARG A 53 -2.932 -3.097 4.691 1.00 0.00 H new ATOM 0 HA ARG A 53 -4.163 -0.509 5.285 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -4.320 -2.581 3.097 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -5.665 -1.478 3.310 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -2.827 -0.459 3.039 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -3.799 -0.836 1.631 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -5.328 0.885 2.043 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -5.005 0.911 3.765 1.00 0.00 H new ATOM 0 HE ARG A 53 -2.599 1.728 2.696 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -5.958 2.745 2.266 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -5.524 4.421 1.913 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -2.057 3.881 2.241 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -3.327 5.061 1.899 1.00 0.00 H new ATOM 674 N ALA A 54 -5.237 -2.876 6.789 1.00 0.00 N ATOM 675 CA ALA A 54 -6.295 -3.468 7.598 1.00 0.00 C ATOM 676 C ALA A 54 -6.615 -2.603 8.815 1.00 0.00 C ATOM 677 O ALA A 54 -7.077 -3.104 9.840 1.00 0.00 O ATOM 678 CB ALA A 54 -5.899 -4.869 8.038 1.00 0.00 C ATOM 0 H ALA A 54 -4.292 -3.107 7.096 1.00 0.00 H new ATOM 0 HA ALA A 54 -7.193 -3.528 6.984 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -6.698 -5.300 8.642 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -5.731 -5.492 7.160 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -4.984 -4.820 8.629 1.00 0.00 H new ATOM 684 N LYS A 55 -6.367 -1.302 8.696 1.00 0.00 N ATOM 685 CA LYS A 55 -6.631 -0.369 9.786 1.00 0.00 C ATOM 686 C LYS A 55 -6.296 1.061 9.372 1.00 0.00 C ATOM 687 O LYS A 55 -7.032 1.997 9.684 1.00 0.00 O ATOM 688 CB LYS A 55 -5.823 -0.756 11.027 1.00 0.00 C ATOM 689 CG LYS A 55 -4.327 -0.854 10.774 1.00 0.00 C ATOM 690 CD LYS A 55 -3.554 -1.033 12.072 1.00 0.00 C ATOM 691 CE LYS A 55 -2.235 -1.752 11.839 1.00 0.00 C ATOM 692 NZ LYS A 55 -1.175 -0.825 11.356 1.00 0.00 N ATOM 0 H LYS A 55 -5.983 -0.870 7.855 1.00 0.00 H new ATOM 0 HA LYS A 55 -7.694 -0.420 10.024 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -6.003 -0.021 11.811 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -6.183 -1.715 11.400 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -4.123 -1.693 10.109 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -3.983 0.047 10.265 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -3.364 -0.058 12.521 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -4.158 -1.599 12.782 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -1.910 -2.224 12.766 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -2.380 -2.549 11.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -0.292 -1.354 11.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -1.474 -0.394 10.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -1.018 -0.079 12.063 1.00 0.00 H new ATOM 706 N ILE A 56 -5.181 1.220 8.666 1.00 0.00 N ATOM 707 CA ILE A 56 -4.747 2.535 8.207 1.00 0.00 C ATOM 708 C ILE A 56 -4.616 3.512 9.372 1.00 0.00 C ATOM 709 O ILE A 56 -5.610 4.053 9.856 1.00 0.00 O ATOM 710 CB ILE A 56 -5.724 3.119 7.169 1.00 0.00 C ATOM 711 CG1 ILE A 56 -6.040 2.079 6.092 1.00 0.00 C ATOM 712 CG2 ILE A 56 -5.142 4.379 6.545 1.00 0.00 C ATOM 713 CD1 ILE A 56 -7.352 1.359 6.314 1.00 0.00 C ATOM 0 H ILE A 56 -4.562 0.455 8.399 1.00 0.00 H new ATOM 0 HA ILE A 56 -3.771 2.399 7.741 1.00 0.00 H new ATOM 0 HB ILE A 56 -6.653 3.384 7.674 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -6.065 2.571 5.120 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -5.234 1.346 6.058 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -5.844 4.780 5.814 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -4.964 5.122 7.323 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -4.201 4.139 6.051 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -7.511 0.637 5.513 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -7.324 0.838 7.271 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -8.168 2.082 6.318 1.00 0.00 H new ATOM 725 N LYS A 57 -3.383 3.733 9.817 1.00 0.00 N ATOM 726 CA LYS A 57 -3.123 4.644 10.925 1.00 0.00 C ATOM 727 C LYS A 57 -2.482 5.937 10.427 1.00 0.00 C ATOM 728 O LYS A 57 -1.337 5.940 9.976 1.00 0.00 O ATOM 729 CB LYS A 57 -2.213 3.977 11.960 1.00 0.00 C ATOM 730 CG LYS A 57 -2.917 2.922 12.798 1.00 0.00 C ATOM 731 CD LYS A 57 -2.043 2.454 13.950 1.00 0.00 C ATOM 732 CE LYS A 57 -1.909 3.527 15.019 1.00 0.00 C ATOM 733 NZ LYS A 57 -0.661 4.323 14.853 1.00 0.00 N ATOM 0 H LYS A 57 -2.549 3.294 9.427 1.00 0.00 H new ATOM 0 HA LYS A 57 -4.077 4.888 11.393 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -1.368 3.517 11.447 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -1.806 4.742 12.621 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -3.850 3.329 13.189 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -3.179 2.071 12.169 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -2.470 1.553 14.389 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -1.055 2.188 13.574 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -2.772 4.192 14.977 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -1.914 3.061 16.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 0.007 4.084 15.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -0.229 4.104 13.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -0.888 5.337 14.897 1.00 0.00 H new ATOM 747 N LYS A 58 -3.230 7.032 10.512 1.00 0.00 N ATOM 748 CA LYS A 58 -2.736 8.332 10.069 1.00 0.00 C ATOM 749 C LYS A 58 -2.687 9.319 11.231 1.00 0.00 C ATOM 750 O LYS A 58 -1.628 9.853 11.560 1.00 0.00 O ATOM 751 CB LYS A 58 -3.624 8.881 8.949 1.00 0.00 C ATOM 752 CG LYS A 58 -2.855 9.260 7.694 1.00 0.00 C ATOM 753 CD LYS A 58 -2.850 8.126 6.683 1.00 0.00 C ATOM 754 CE LYS A 58 -2.232 8.560 5.363 1.00 0.00 C ATOM 755 NZ LYS A 58 -0.852 9.092 5.543 1.00 0.00 N ATOM 0 H LYS A 58 -4.180 7.046 10.883 1.00 0.00 H new ATOM 0 HA LYS A 58 -1.723 8.201 9.688 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -4.375 8.134 8.693 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -4.158 9.757 9.316 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -3.302 10.147 7.246 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -1.830 9.519 7.958 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -2.293 7.280 7.086 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -3.871 7.784 6.513 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -2.208 7.713 4.678 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -2.858 9.324 4.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -0.398 9.202 4.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -0.895 10.016 6.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -0.298 8.430 6.123 1.00 0.00 H new ATOM 769 N SER A 59 -3.839 9.557 11.848 1.00 0.00 N ATOM 770 CA SER A 59 -3.927 10.481 12.974 1.00 0.00 C ATOM 771 C SER A 59 -3.708 9.752 14.294 1.00 0.00 C ATOM 772 O SER A 59 -4.642 9.058 14.750 1.00 0.00 O ATOM 773 CB SER A 59 -5.289 11.178 12.983 1.00 0.00 C ATOM 774 OG SER A 59 -5.238 12.390 13.715 1.00 0.00 O ATOM 775 OXT SER A 59 -2.603 9.879 14.862 1.00 0.00 O ATOM 0 H SER A 59 -4.725 9.123 11.588 1.00 0.00 H new ATOM 0 HA SER A 59 -3.144 11.230 12.859 1.00 0.00 H new ATOM 0 HB2 SER A 59 -5.604 11.381 11.959 1.00 0.00 H new ATOM 0 HB3 SER A 59 -6.036 10.516 13.421 1.00 0.00 H new ATOM 0 HG SER A 59 -6.120 12.816 13.704 1.00 0.00 H new TER 781 SER A 59