USER MOD reduce.3.24.130724 H: found=0, std=0, add=453, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 451 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 48 THR OG1 : rot 102:sc= -1.05 USER MOD Set 1.2: A 50 THR OG1 : rot 180:sc= 0.0691 USER MOD Set 2.1: A 34 ASN : amide:sc= -0.989! C(o=-1.7!,f=-6!) USER MOD Set 2.2: A 38 MET CE :methyl -118:sc= -0.674 (180deg=-1.08) USER MOD Set 3.1: A 31 GLN : amide:sc= 0.0715 K(o=0.96,f=-2!) USER MOD Set 3.2: A 33 TYR OH : rot -93:sc= 0.885 USER MOD Single : A 1 ASP N :NH3+ -139:sc= 0.0493 (180deg=-0.59) USER MOD Single : A 2 SER OG : rot 64:sc= 0.565 USER MOD Single : A 4 MET CE :methyl -146:sc= -0.467 (180deg=-2.68!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot -125:sc= -0.625 USER MOD Single : A 16 TYR OH : rot 165:sc= -1.34! USER MOD Single : A 20 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00603) USER MOD Single : A 23 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0524) USER MOD Single : A 32 THR OG1 : rot -15:sc= 0.862 USER MOD Single : A 35 ASN : amide:sc= -9.76! C(o=-9.8!,f=-23!) USER MOD Single : A 41 HIS : no HD1:sc= -0.267 K(o=-0.27,f=-2) USER MOD Single : A 43 ASN : amide:sc= -4.3 K(o=-4.3,f=-6.3!) USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 49 ASN : amide:sc= 0 K(o=0,f=-1.5) USER MOD Single : A 51 HIS : no HE2:sc= -6.62! C(o=-6.6!,f=-8!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 1.363 -27.144 2.472 1.00 0.00 N ATOM 2 CA ASP A 1 2.211 -26.484 3.504 1.00 0.00 C ATOM 3 C ASP A 1 3.683 -26.778 3.220 1.00 0.00 C ATOM 4 O ASP A 1 4.016 -27.525 2.322 1.00 0.00 O ATOM 5 CB ASP A 1 1.843 -27.023 4.887 1.00 0.00 C ATOM 6 CG ASP A 1 0.400 -26.636 5.216 1.00 0.00 C ATOM 7 OD1 ASP A 1 -0.145 -25.804 4.509 1.00 0.00 O ATOM 8 OD2 ASP A 1 -0.135 -27.178 6.169 1.00 0.00 O ATOM 0 H1 ASP A 1 0.593 -26.503 2.193 1.00 0.00 H new ATOM 0 H2 ASP A 1 1.943 -27.371 1.639 1.00 0.00 H new ATOM 0 H3 ASP A 1 0.960 -28.020 2.862 1.00 0.00 H new ATOM 0 HA ASP A 1 2.043 -25.407 3.476 1.00 0.00 H new ATOM 0 HB2 ASP A 1 1.954 -28.107 4.908 1.00 0.00 H new ATOM 0 HB3 ASP A 1 2.520 -26.618 5.639 1.00 0.00 H new ATOM 15 N SER A 2 4.568 -26.194 3.979 1.00 0.00 N ATOM 16 CA SER A 2 6.018 -26.440 3.755 1.00 0.00 C ATOM 17 C SER A 2 6.297 -27.941 3.830 1.00 0.00 C ATOM 18 O SER A 2 7.192 -28.449 3.185 1.00 0.00 O ATOM 19 CB SER A 2 6.828 -25.718 4.832 1.00 0.00 C ATOM 20 OG SER A 2 7.028 -24.366 4.448 1.00 0.00 O ATOM 0 H SER A 2 4.349 -25.557 4.745 1.00 0.00 H new ATOM 0 HA SER A 2 6.303 -26.066 2.772 1.00 0.00 H new ATOM 0 HB2 SER A 2 6.304 -25.762 5.787 1.00 0.00 H new ATOM 0 HB3 SER A 2 7.789 -26.213 4.972 1.00 0.00 H new ATOM 0 HG SER A 2 6.164 -23.906 4.407 1.00 0.00 H new ATOM 26 N GLU A 3 5.536 -28.655 4.613 1.00 0.00 N ATOM 27 CA GLU A 3 5.758 -30.123 4.726 1.00 0.00 C ATOM 28 C GLU A 3 5.678 -30.753 3.335 1.00 0.00 C ATOM 29 O GLU A 3 6.236 -31.802 3.084 1.00 0.00 O ATOM 30 CB GLU A 3 4.685 -30.735 5.628 1.00 0.00 C ATOM 31 CG GLU A 3 5.272 -30.984 7.020 1.00 0.00 C ATOM 32 CD GLU A 3 4.189 -31.561 7.934 1.00 0.00 C ATOM 33 OE1 GLU A 3 3.257 -32.152 7.415 1.00 0.00 O ATOM 34 OE2 GLU A 3 4.310 -31.402 9.137 1.00 0.00 O ATOM 0 H GLU A 3 4.772 -28.286 5.178 1.00 0.00 H new ATOM 0 HA GLU A 3 6.741 -30.312 5.157 1.00 0.00 H new ATOM 0 HB2 GLU A 3 3.828 -30.066 5.697 1.00 0.00 H new ATOM 0 HB3 GLU A 3 4.325 -31.671 5.200 1.00 0.00 H new ATOM 0 HG2 GLU A 3 6.113 -31.674 6.954 1.00 0.00 H new ATOM 0 HG3 GLU A 3 5.656 -30.053 7.436 1.00 0.00 H new ATOM 41 N MET A 4 4.989 -30.115 2.429 1.00 0.00 N ATOM 42 CA MET A 4 4.876 -30.670 1.051 1.00 0.00 C ATOM 43 C MET A 4 6.198 -30.452 0.315 1.00 0.00 C ATOM 44 O MET A 4 6.529 -31.161 -0.614 1.00 0.00 O ATOM 45 CB MET A 4 3.749 -29.954 0.305 1.00 0.00 C ATOM 46 CG MET A 4 2.464 -30.025 1.130 1.00 0.00 C ATOM 47 SD MET A 4 1.788 -31.702 1.049 1.00 0.00 S ATOM 48 CE MET A 4 1.585 -31.778 -0.748 1.00 0.00 C ATOM 0 H MET A 4 4.500 -29.234 2.584 1.00 0.00 H new ATOM 0 HA MET A 4 4.655 -31.736 1.099 1.00 0.00 H new ATOM 0 HB2 MET A 4 4.021 -28.914 0.125 1.00 0.00 H new ATOM 0 HB3 MET A 4 3.593 -30.416 -0.670 1.00 0.00 H new ATOM 0 HG2 MET A 4 2.668 -29.753 2.166 1.00 0.00 H new ATOM 0 HG3 MET A 4 1.735 -29.309 0.750 1.00 0.00 H new ATOM 0 HE1 MET A 4 0.704 -32.372 -0.990 1.00 0.00 H new ATOM 0 HE2 MET A 4 1.462 -30.770 -1.143 1.00 0.00 H new ATOM 0 HE3 MET A 4 2.467 -32.238 -1.195 1.00 0.00 H new ATOM 58 N CYS A 5 6.958 -29.476 0.731 1.00 0.00 N ATOM 59 CA CYS A 5 8.262 -29.208 0.063 1.00 0.00 C ATOM 60 C CYS A 5 9.333 -30.125 0.658 1.00 0.00 C ATOM 61 O CYS A 5 10.297 -30.474 0.007 1.00 0.00 O ATOM 62 CB CYS A 5 8.659 -27.748 0.288 1.00 0.00 C ATOM 63 SG CYS A 5 7.239 -26.681 -0.027 1.00 0.00 S ATOM 0 H CYS A 5 6.731 -28.852 1.506 1.00 0.00 H new ATOM 0 HA CYS A 5 8.171 -29.398 -1.006 1.00 0.00 H new ATOM 0 HB2 CYS A 5 9.011 -27.610 1.310 1.00 0.00 H new ATOM 0 HB3 CYS A 5 9.483 -27.478 -0.373 1.00 0.00 H new ATOM 68 N LYS A 6 9.169 -30.518 1.892 1.00 0.00 N ATOM 69 CA LYS A 6 10.176 -31.412 2.529 1.00 0.00 C ATOM 70 C LYS A 6 10.008 -32.837 1.997 1.00 0.00 C ATOM 71 O LYS A 6 10.751 -33.731 2.349 1.00 0.00 O ATOM 72 CB LYS A 6 9.972 -31.412 4.046 1.00 0.00 C ATOM 73 CG LYS A 6 9.918 -29.971 4.558 1.00 0.00 C ATOM 74 CD LYS A 6 9.954 -29.974 6.088 1.00 0.00 C ATOM 75 CE LYS A 6 10.119 -28.542 6.599 1.00 0.00 C ATOM 76 NZ LYS A 6 10.759 -28.567 7.944 1.00 0.00 N ATOM 0 H LYS A 6 8.381 -30.258 2.486 1.00 0.00 H new ATOM 0 HA LYS A 6 11.177 -31.051 2.294 1.00 0.00 H new ATOM 0 HB2 LYS A 6 9.048 -31.933 4.299 1.00 0.00 H new ATOM 0 HB3 LYS A 6 10.785 -31.951 4.532 1.00 0.00 H new ATOM 0 HG2 LYS A 6 10.760 -29.402 4.164 1.00 0.00 H new ATOM 0 HG3 LYS A 6 9.010 -29.482 4.205 1.00 0.00 H new ATOM 0 HD2 LYS A 6 9.036 -30.408 6.483 1.00 0.00 H new ATOM 0 HD3 LYS A 6 10.778 -30.594 6.441 1.00 0.00 H new ATOM 0 HE2 LYS A 6 10.729 -27.964 5.905 1.00 0.00 H new ATOM 0 HE3 LYS A 6 9.148 -28.050 6.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 10.872 -27.594 8.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 10.160 -29.104 8.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 11.692 -29.021 7.876 1.00 0.00 H new ATOM 90 N ASP A 7 9.035 -33.061 1.155 1.00 0.00 N ATOM 91 CA ASP A 7 8.826 -34.433 0.611 1.00 0.00 C ATOM 92 C ASP A 7 8.883 -34.400 -0.918 1.00 0.00 C ATOM 93 O ASP A 7 8.719 -35.410 -1.574 1.00 0.00 O ATOM 94 CB ASP A 7 7.459 -34.956 1.058 1.00 0.00 C ATOM 95 CG ASP A 7 6.363 -34.012 0.560 1.00 0.00 C ATOM 96 OD1 ASP A 7 6.502 -33.501 -0.539 1.00 0.00 O ATOM 97 OD2 ASP A 7 5.401 -33.816 1.286 1.00 0.00 O ATOM 0 H ASP A 7 8.378 -32.356 0.822 1.00 0.00 H new ATOM 0 HA ASP A 7 9.610 -35.091 0.986 1.00 0.00 H new ATOM 0 HB2 ASP A 7 7.296 -35.959 0.665 1.00 0.00 H new ATOM 0 HB3 ASP A 7 7.424 -35.030 2.145 1.00 0.00 H new ATOM 102 N TYR A 8 9.115 -33.253 -1.494 1.00 0.00 N ATOM 103 CA TYR A 8 9.181 -33.171 -2.979 1.00 0.00 C ATOM 104 C TYR A 8 10.573 -32.681 -3.399 1.00 0.00 C ATOM 105 O TYR A 8 11.253 -32.002 -2.656 1.00 0.00 O ATOM 106 CB TYR A 8 8.074 -32.218 -3.488 1.00 0.00 C ATOM 107 CG TYR A 8 8.652 -30.891 -3.937 1.00 0.00 C ATOM 108 CD1 TYR A 8 9.325 -30.074 -3.022 1.00 0.00 C ATOM 109 CD2 TYR A 8 8.516 -30.485 -5.270 1.00 0.00 C ATOM 110 CE1 TYR A 8 9.863 -28.850 -3.440 1.00 0.00 C ATOM 111 CE2 TYR A 8 9.053 -29.262 -5.687 1.00 0.00 C ATOM 112 CZ TYR A 8 9.727 -28.444 -4.772 1.00 0.00 C ATOM 113 OH TYR A 8 10.259 -27.239 -5.185 1.00 0.00 O ATOM 0 H TYR A 8 9.261 -32.372 -1.002 1.00 0.00 H new ATOM 0 HA TYR A 8 9.017 -34.154 -3.420 1.00 0.00 H new ATOM 0 HB2 TYR A 8 7.543 -32.685 -4.317 1.00 0.00 H new ATOM 0 HB3 TYR A 8 7.344 -32.050 -2.696 1.00 0.00 H new ATOM 0 HD1 TYR A 8 9.430 -30.387 -1.994 1.00 0.00 H new ATOM 0 HD2 TYR A 8 7.997 -31.116 -5.976 1.00 0.00 H new ATOM 0 HE1 TYR A 8 10.383 -28.220 -2.734 1.00 0.00 H new ATOM 0 HE2 TYR A 8 8.948 -28.949 -6.715 1.00 0.00 H new ATOM 0 HH TYR A 8 9.557 -26.697 -5.601 1.00 0.00 H new ATOM 123 N ARG A 9 10.995 -33.015 -4.586 1.00 0.00 N ATOM 124 CA ARG A 9 12.336 -32.563 -5.053 1.00 0.00 C ATOM 125 C ARG A 9 12.215 -32.008 -6.473 1.00 0.00 C ATOM 126 O ARG A 9 11.686 -32.651 -7.358 1.00 0.00 O ATOM 127 CB ARG A 9 13.307 -33.745 -5.043 1.00 0.00 C ATOM 128 CG ARG A 9 13.838 -33.954 -3.624 1.00 0.00 C ATOM 129 CD ARG A 9 14.966 -34.986 -3.648 1.00 0.00 C ATOM 130 NE ARG A 9 15.070 -35.638 -2.312 1.00 0.00 N ATOM 131 CZ ARG A 9 15.998 -36.527 -2.090 1.00 0.00 C ATOM 132 NH1 ARG A 9 17.241 -36.261 -2.387 1.00 0.00 N ATOM 133 NH2 ARG A 9 15.683 -37.683 -1.572 1.00 0.00 N ATOM 0 H ARG A 9 10.470 -33.581 -5.253 1.00 0.00 H new ATOM 0 HA ARG A 9 12.712 -31.785 -4.389 1.00 0.00 H new ATOM 0 HB2 ARG A 9 12.803 -34.647 -5.391 1.00 0.00 H new ATOM 0 HB3 ARG A 9 14.133 -33.557 -5.728 1.00 0.00 H new ATOM 0 HG2 ARG A 9 14.203 -33.010 -3.218 1.00 0.00 H new ATOM 0 HG3 ARG A 9 13.035 -34.293 -2.970 1.00 0.00 H new ATOM 0 HD2 ARG A 9 14.772 -35.735 -4.416 1.00 0.00 H new ATOM 0 HD3 ARG A 9 15.909 -34.504 -3.904 1.00 0.00 H new ATOM 0 HE ARG A 9 14.415 -35.389 -1.571 1.00 0.00 H new ATOM 0 HH11 ARG A 9 17.486 -35.358 -2.793 1.00 0.00 H new ATOM 0 HH12 ARG A 9 17.967 -36.956 -2.213 1.00 0.00 H new ATOM 0 HH21 ARG A 9 14.711 -37.891 -1.341 1.00 0.00 H new ATOM 0 HH22 ARG A 9 16.408 -38.379 -1.398 1.00 0.00 H new ATOM 147 N VAL A 10 12.694 -30.817 -6.695 1.00 0.00 N ATOM 148 CA VAL A 10 12.601 -30.218 -8.056 1.00 0.00 C ATOM 149 C VAL A 10 13.999 -29.824 -8.540 1.00 0.00 C ATOM 150 O VAL A 10 14.825 -29.367 -7.776 1.00 0.00 O ATOM 151 CB VAL A 10 11.699 -28.978 -8.000 1.00 0.00 C ATOM 152 CG1 VAL A 10 12.468 -27.803 -7.387 1.00 0.00 C ATOM 153 CG2 VAL A 10 11.249 -28.606 -9.414 1.00 0.00 C ATOM 0 H VAL A 10 13.146 -30.231 -5.993 1.00 0.00 H new ATOM 0 HA VAL A 10 12.177 -30.944 -8.750 1.00 0.00 H new ATOM 0 HB VAL A 10 10.827 -29.199 -7.385 1.00 0.00 H new ATOM 0 HG11 VAL A 10 11.823 -26.925 -7.350 1.00 0.00 H new ATOM 0 HG12 VAL A 10 12.785 -28.063 -6.377 1.00 0.00 H new ATOM 0 HG13 VAL A 10 13.344 -27.583 -7.997 1.00 0.00 H new ATOM 0 HG21 VAL A 10 10.608 -27.725 -9.372 1.00 0.00 H new ATOM 0 HG22 VAL A 10 12.123 -28.390 -10.029 1.00 0.00 H new ATOM 0 HG23 VAL A 10 10.695 -29.437 -9.850 1.00 0.00 H new ATOM 163 N LEU A 11 14.271 -29.995 -9.806 1.00 0.00 N ATOM 164 CA LEU A 11 15.614 -29.626 -10.333 1.00 0.00 C ATOM 165 C LEU A 11 15.500 -28.331 -11.139 1.00 0.00 C ATOM 166 O LEU A 11 14.418 -27.824 -11.362 1.00 0.00 O ATOM 167 CB LEU A 11 16.133 -30.748 -11.235 1.00 0.00 C ATOM 168 CG LEU A 11 17.258 -31.500 -10.519 1.00 0.00 C ATOM 169 CD1 LEU A 11 16.726 -32.082 -9.208 1.00 0.00 C ATOM 170 CD2 LEU A 11 17.764 -32.634 -11.411 1.00 0.00 C ATOM 0 H LEU A 11 13.622 -30.374 -10.496 1.00 0.00 H new ATOM 0 HA LEU A 11 16.307 -29.480 -9.504 1.00 0.00 H new ATOM 0 HB2 LEU A 11 15.323 -31.434 -11.483 1.00 0.00 H new ATOM 0 HB3 LEU A 11 16.499 -30.334 -12.175 1.00 0.00 H new ATOM 0 HG LEU A 11 18.077 -30.813 -10.307 1.00 0.00 H new ATOM 0 HD11 LEU A 11 17.526 -32.618 -8.697 1.00 0.00 H new ATOM 0 HD12 LEU A 11 16.366 -31.274 -8.571 1.00 0.00 H new ATOM 0 HD13 LEU A 11 15.907 -32.769 -9.421 1.00 0.00 H new ATOM 0 HD21 LEU A 11 18.565 -33.169 -10.900 1.00 0.00 H new ATOM 0 HD22 LEU A 11 16.946 -33.322 -11.624 1.00 0.00 H new ATOM 0 HD23 LEU A 11 18.142 -32.220 -12.346 1.00 0.00 H new ATOM 182 N PRO A 12 16.641 -27.786 -11.586 1.00 0.00 N ATOM 183 CA PRO A 12 16.671 -26.545 -12.371 1.00 0.00 C ATOM 184 C PRO A 12 16.047 -26.731 -13.756 1.00 0.00 C ATOM 185 O PRO A 12 15.509 -25.808 -14.334 1.00 0.00 O ATOM 186 CB PRO A 12 18.165 -26.242 -12.502 1.00 0.00 C ATOM 187 CG PRO A 12 18.827 -27.569 -12.351 1.00 0.00 C ATOM 188 CD PRO A 12 17.991 -28.334 -11.365 1.00 0.00 C ATOM 0 HA PRO A 12 16.101 -25.746 -11.897 1.00 0.00 H new ATOM 0 HB2 PRO A 12 18.396 -25.790 -13.467 1.00 0.00 H new ATOM 0 HB3 PRO A 12 18.497 -25.543 -11.735 1.00 0.00 H new ATOM 0 HG2 PRO A 12 18.880 -28.091 -13.307 1.00 0.00 H new ATOM 0 HG3 PRO A 12 19.850 -27.457 -11.992 1.00 0.00 H new ATOM 0 HD2 PRO A 12 18.027 -29.407 -11.551 1.00 0.00 H new ATOM 0 HD3 PRO A 12 18.329 -28.177 -10.341 1.00 0.00 H new ATOM 196 N ARG A 13 16.113 -27.918 -14.290 1.00 0.00 N ATOM 197 CA ARG A 13 15.520 -28.163 -15.635 1.00 0.00 C ATOM 198 C ARG A 13 14.044 -28.531 -15.479 1.00 0.00 C ATOM 199 O ARG A 13 13.239 -28.287 -16.355 1.00 0.00 O ATOM 200 CB ARG A 13 16.261 -29.313 -16.322 1.00 0.00 C ATOM 201 CG ARG A 13 17.704 -28.891 -16.610 1.00 0.00 C ATOM 202 CD ARG A 13 18.412 -30.001 -17.389 1.00 0.00 C ATOM 203 NE ARG A 13 19.877 -29.738 -17.405 1.00 0.00 N ATOM 204 CZ ARG A 13 20.690 -30.539 -16.771 1.00 0.00 C ATOM 205 NH1 ARG A 13 20.566 -30.708 -15.483 1.00 0.00 N ATOM 206 NH2 ARG A 13 21.625 -31.169 -17.426 1.00 0.00 N ATOM 0 H ARG A 13 16.552 -28.729 -13.854 1.00 0.00 H new ATOM 0 HA ARG A 13 15.611 -27.261 -16.241 1.00 0.00 H new ATOM 0 HB2 ARG A 13 16.250 -30.198 -15.686 1.00 0.00 H new ATOM 0 HB3 ARG A 13 15.757 -29.581 -17.251 1.00 0.00 H new ATOM 0 HG2 ARG A 13 17.716 -27.964 -17.184 1.00 0.00 H new ATOM 0 HG3 ARG A 13 18.230 -28.694 -15.676 1.00 0.00 H new ATOM 0 HD2 ARG A 13 18.210 -30.968 -16.929 1.00 0.00 H new ATOM 0 HD3 ARG A 13 18.029 -30.046 -18.408 1.00 0.00 H new ATOM 0 HE ARG A 13 20.245 -28.933 -17.911 1.00 0.00 H new ATOM 0 HH11 ARG A 13 19.834 -30.214 -14.972 1.00 0.00 H new ATOM 0 HH12 ARG A 13 21.201 -31.334 -14.987 1.00 0.00 H new ATOM 0 HH21 ARG A 13 21.721 -31.036 -18.433 1.00 0.00 H new ATOM 0 HH22 ARG A 13 22.261 -31.795 -16.932 1.00 0.00 H new ATOM 220 N ILE A 14 13.682 -29.116 -14.369 1.00 0.00 N ATOM 221 CA ILE A 14 12.258 -29.497 -14.161 1.00 0.00 C ATOM 222 C ILE A 14 11.481 -28.290 -13.634 1.00 0.00 C ATOM 223 O ILE A 14 10.352 -28.052 -14.013 1.00 0.00 O ATOM 224 CB ILE A 14 12.178 -30.637 -13.142 1.00 0.00 C ATOM 225 CG1 ILE A 14 12.894 -31.870 -13.698 1.00 0.00 C ATOM 226 CG2 ILE A 14 10.712 -30.976 -12.872 1.00 0.00 C ATOM 227 CD1 ILE A 14 12.926 -32.965 -12.630 1.00 0.00 C ATOM 0 H ILE A 14 14.311 -29.346 -13.599 1.00 0.00 H new ATOM 0 HA ILE A 14 11.827 -29.824 -15.107 1.00 0.00 H new ATOM 0 HB ILE A 14 12.657 -30.328 -12.213 1.00 0.00 H new ATOM 0 HG12 ILE A 14 12.381 -32.231 -14.589 1.00 0.00 H new ATOM 0 HG13 ILE A 14 13.909 -31.610 -13.998 1.00 0.00 H new ATOM 0 HG21 ILE A 14 10.654 -31.788 -12.147 1.00 0.00 H new ATOM 0 HG22 ILE A 14 10.203 -30.098 -12.476 1.00 0.00 H new ATOM 0 HG23 ILE A 14 10.233 -31.285 -13.801 1.00 0.00 H new ATOM 0 HD11 ILE A 14 13.436 -33.844 -13.025 1.00 0.00 H new ATOM 0 HD12 ILE A 14 13.459 -32.601 -11.751 1.00 0.00 H new ATOM 0 HD13 ILE A 14 11.906 -33.232 -12.352 1.00 0.00 H new ATOM 239 N GLY A 15 12.079 -27.526 -12.761 1.00 0.00 N ATOM 240 CA GLY A 15 11.375 -26.334 -12.209 1.00 0.00 C ATOM 241 C GLY A 15 10.202 -26.793 -11.342 1.00 0.00 C ATOM 242 O GLY A 15 9.685 -27.880 -11.509 1.00 0.00 O ATOM 0 H GLY A 15 13.024 -27.676 -12.406 1.00 0.00 H new ATOM 0 HA2 GLY A 15 12.065 -25.732 -11.618 1.00 0.00 H new ATOM 0 HA3 GLY A 15 11.016 -25.702 -13.021 1.00 0.00 H new ATOM 246 N TYR A 16 9.780 -25.978 -10.417 1.00 0.00 N ATOM 247 CA TYR A 16 8.644 -26.375 -9.541 1.00 0.00 C ATOM 248 C TYR A 16 7.459 -26.813 -10.404 1.00 0.00 C ATOM 249 O TYR A 16 7.256 -26.322 -11.496 1.00 0.00 O ATOM 250 CB TYR A 16 8.227 -25.190 -8.669 1.00 0.00 C ATOM 251 CG TYR A 16 7.766 -25.701 -7.325 1.00 0.00 C ATOM 252 CD1 TYR A 16 6.593 -26.459 -7.232 1.00 0.00 C ATOM 253 CD2 TYR A 16 8.511 -25.419 -6.174 1.00 0.00 C ATOM 254 CE1 TYR A 16 6.166 -26.937 -5.987 1.00 0.00 C ATOM 255 CE2 TYR A 16 8.084 -25.896 -4.930 1.00 0.00 C ATOM 256 CZ TYR A 16 6.912 -26.656 -4.836 1.00 0.00 C ATOM 257 OH TYR A 16 6.490 -27.127 -3.610 1.00 0.00 O ATOM 0 H TYR A 16 10.172 -25.055 -10.230 1.00 0.00 H new ATOM 0 HA TYR A 16 8.955 -27.202 -8.903 1.00 0.00 H new ATOM 0 HB2 TYR A 16 9.064 -24.503 -8.543 1.00 0.00 H new ATOM 0 HB3 TYR A 16 7.426 -24.631 -9.153 1.00 0.00 H new ATOM 0 HD1 TYR A 16 6.018 -26.675 -8.120 1.00 0.00 H new ATOM 0 HD2 TYR A 16 9.415 -24.833 -6.246 1.00 0.00 H new ATOM 0 HE1 TYR A 16 5.261 -27.522 -5.915 1.00 0.00 H new ATOM 0 HE2 TYR A 16 8.659 -25.678 -4.042 1.00 0.00 H new ATOM 0 HH TYR A 16 7.224 -27.061 -2.964 1.00 0.00 H new ATOM 267 N LEU A 17 6.674 -27.735 -9.918 1.00 0.00 N ATOM 268 CA LEU A 17 5.500 -28.207 -10.704 1.00 0.00 C ATOM 269 C LEU A 17 4.211 -27.849 -9.960 1.00 0.00 C ATOM 270 O LEU A 17 3.926 -28.375 -8.903 1.00 0.00 O ATOM 271 CB LEU A 17 5.583 -29.725 -10.878 1.00 0.00 C ATOM 272 CG LEU A 17 4.420 -30.205 -11.747 1.00 0.00 C ATOM 273 CD1 LEU A 17 4.673 -29.814 -13.205 1.00 0.00 C ATOM 274 CD2 LEU A 17 4.300 -31.726 -11.640 1.00 0.00 C ATOM 0 H LEU A 17 6.795 -28.182 -9.009 1.00 0.00 H new ATOM 0 HA LEU A 17 5.500 -27.727 -11.683 1.00 0.00 H new ATOM 0 HB2 LEU A 17 6.532 -29.997 -11.340 1.00 0.00 H new ATOM 0 HB3 LEU A 17 5.550 -30.215 -9.905 1.00 0.00 H new ATOM 0 HG LEU A 17 3.495 -29.741 -11.404 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.843 -30.157 -13.823 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.759 -28.730 -13.281 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.598 -30.276 -13.550 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.471 -32.070 -12.259 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.225 -32.189 -11.983 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.118 -32.004 -10.602 1.00 0.00 H new ATOM 286 N CYS A 18 3.432 -26.955 -10.504 1.00 0.00 N ATOM 287 CA CYS A 18 2.160 -26.560 -9.831 1.00 0.00 C ATOM 288 C CYS A 18 0.991 -26.782 -10.790 1.00 0.00 C ATOM 289 O CYS A 18 1.155 -26.791 -11.994 1.00 0.00 O ATOM 290 CB CYS A 18 2.230 -25.083 -9.441 1.00 0.00 C ATOM 291 SG CYS A 18 3.691 -24.804 -8.411 1.00 0.00 S ATOM 0 H CYS A 18 3.621 -26.480 -11.387 1.00 0.00 H new ATOM 0 HA CYS A 18 2.015 -27.164 -8.936 1.00 0.00 H new ATOM 0 HB2 CYS A 18 2.277 -24.461 -10.335 1.00 0.00 H new ATOM 0 HB3 CYS A 18 1.329 -24.795 -8.899 1.00 0.00 H new ATOM 296 N PRO A 19 -0.217 -26.965 -10.239 1.00 0.00 N ATOM 297 CA PRO A 19 -1.426 -27.189 -11.039 1.00 0.00 C ATOM 298 C PRO A 19 -1.873 -25.916 -11.762 1.00 0.00 C ATOM 299 O PRO A 19 -1.433 -24.827 -11.452 1.00 0.00 O ATOM 300 CB PRO A 19 -2.472 -27.599 -10.004 1.00 0.00 C ATOM 301 CG PRO A 19 -1.998 -26.999 -8.723 1.00 0.00 C ATOM 302 CD PRO A 19 -0.494 -26.967 -8.793 1.00 0.00 C ATOM 0 HA PRO A 19 -1.267 -27.933 -11.819 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -3.461 -27.227 -10.273 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -2.549 -28.684 -9.928 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -2.401 -25.995 -8.593 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -2.334 -27.590 -7.871 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -0.088 -26.081 -8.305 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -0.051 -27.833 -8.301 1.00 0.00 H new ATOM 310 N LYS A 20 -2.743 -26.046 -12.724 1.00 0.00 N ATOM 311 CA LYS A 20 -3.217 -24.845 -13.469 1.00 0.00 C ATOM 312 C LYS A 20 -4.412 -24.230 -12.738 1.00 0.00 C ATOM 313 O LYS A 20 -4.848 -23.141 -13.049 1.00 0.00 O ATOM 314 CB LYS A 20 -3.638 -25.255 -14.882 1.00 0.00 C ATOM 315 CG LYS A 20 -2.418 -25.774 -15.646 1.00 0.00 C ATOM 316 CD LYS A 20 -2.797 -26.010 -17.109 1.00 0.00 C ATOM 317 CE LYS A 20 -1.622 -26.664 -17.840 1.00 0.00 C ATOM 318 NZ LYS A 20 -0.581 -25.636 -18.127 1.00 0.00 N ATOM 0 H LYS A 20 -3.147 -26.932 -13.027 1.00 0.00 H new ATOM 0 HA LYS A 20 -2.412 -24.113 -13.528 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -4.406 -26.027 -14.835 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -4.073 -24.403 -15.405 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -1.602 -25.054 -15.582 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -2.061 -26.701 -15.197 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -3.678 -26.649 -17.169 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -3.056 -25.065 -17.586 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -1.201 -27.464 -17.231 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -1.965 -27.118 -18.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 0.194 -26.069 -18.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -1.001 -24.862 -18.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -0.210 -25.259 -17.232 1.00 0.00 H new ATOM 332 N ASP A 21 -4.942 -24.920 -11.766 1.00 0.00 N ATOM 333 CA ASP A 21 -6.107 -24.375 -11.015 1.00 0.00 C ATOM 334 C ASP A 21 -5.638 -23.235 -10.110 1.00 0.00 C ATOM 335 O ASP A 21 -4.644 -23.345 -9.419 1.00 0.00 O ATOM 336 CB ASP A 21 -6.723 -25.482 -10.157 1.00 0.00 C ATOM 337 CG ASP A 21 -7.234 -26.604 -11.063 1.00 0.00 C ATOM 338 OD1 ASP A 21 -7.319 -26.381 -12.259 1.00 0.00 O ATOM 339 OD2 ASP A 21 -7.532 -27.668 -10.544 1.00 0.00 O ATOM 0 H ASP A 21 -4.619 -25.838 -11.460 1.00 0.00 H new ATOM 0 HA ASP A 21 -6.851 -24.002 -11.718 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -5.981 -25.872 -9.460 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -7.542 -25.081 -9.560 1.00 0.00 H new ATOM 344 N LEU A 22 -6.343 -22.138 -10.108 1.00 0.00 N ATOM 345 CA LEU A 22 -5.934 -20.994 -9.246 1.00 0.00 C ATOM 346 C LEU A 22 -6.597 -21.128 -7.874 1.00 0.00 C ATOM 347 O LEU A 22 -7.806 -21.125 -7.753 1.00 0.00 O ATOM 348 CB LEU A 22 -6.372 -19.680 -9.900 1.00 0.00 C ATOM 349 CG LEU A 22 -5.722 -18.499 -9.171 1.00 0.00 C ATOM 350 CD1 LEU A 22 -6.365 -18.331 -7.793 1.00 0.00 C ATOM 351 CD2 LEU A 22 -4.226 -18.761 -9.001 1.00 0.00 C ATOM 0 H LEU A 22 -7.183 -21.984 -10.665 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.850 -20.997 -9.127 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -6.086 -19.673 -10.952 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -7.458 -19.589 -9.864 1.00 0.00 H new ATOM 0 HG LEU A 22 -5.869 -17.591 -9.756 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -5.902 -17.491 -7.275 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -7.432 -18.142 -7.910 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -6.220 -19.241 -7.210 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -3.766 -17.920 -8.482 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -4.080 -19.670 -8.418 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -3.764 -18.880 -9.981 1.00 0.00 H new ATOM 363 N LYS A 23 -5.812 -21.241 -6.838 1.00 0.00 N ATOM 364 CA LYS A 23 -6.391 -21.371 -5.472 1.00 0.00 C ATOM 365 C LYS A 23 -5.643 -20.438 -4.521 1.00 0.00 C ATOM 366 O LYS A 23 -4.556 -20.741 -4.070 1.00 0.00 O ATOM 367 CB LYS A 23 -6.247 -22.816 -4.992 1.00 0.00 C ATOM 368 CG LYS A 23 -7.503 -23.604 -5.367 1.00 0.00 C ATOM 369 CD LYS A 23 -7.929 -24.479 -4.187 1.00 0.00 C ATOM 370 CE LYS A 23 -9.457 -24.536 -4.119 1.00 0.00 C ATOM 371 NZ LYS A 23 -9.981 -25.254 -5.314 1.00 0.00 N ATOM 0 H LYS A 23 -4.793 -21.249 -6.879 1.00 0.00 H new ATOM 0 HA LYS A 23 -7.447 -21.103 -5.493 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -5.368 -23.275 -5.444 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -6.099 -22.839 -3.912 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -8.308 -22.920 -5.635 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -7.308 -24.225 -6.242 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -7.522 -25.484 -4.300 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -7.528 -24.075 -3.258 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -9.772 -25.045 -3.208 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -9.868 -23.527 -4.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -10.996 -25.442 -5.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -9.840 -24.667 -6.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -9.473 -26.155 -5.428 1.00 0.00 H new ATOM 385 N PRO A 24 -6.238 -19.274 -4.217 1.00 0.00 N ATOM 386 CA PRO A 24 -5.634 -18.271 -3.326 1.00 0.00 C ATOM 387 C PRO A 24 -5.448 -18.794 -1.900 1.00 0.00 C ATOM 388 O PRO A 24 -6.383 -19.220 -1.255 1.00 0.00 O ATOM 389 CB PRO A 24 -6.649 -17.124 -3.343 1.00 0.00 C ATOM 390 CG PRO A 24 -7.934 -17.780 -3.715 1.00 0.00 C ATOM 391 CD PRO A 24 -7.559 -18.843 -4.706 1.00 0.00 C ATOM 0 HA PRO A 24 -4.636 -17.983 -3.657 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -6.717 -16.638 -2.370 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -6.370 -16.356 -4.064 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -8.424 -18.211 -2.842 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -8.631 -17.064 -4.150 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -8.277 -19.663 -4.714 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -7.509 -18.452 -5.722 1.00 0.00 H new ATOM 399 N VAL A 25 -4.239 -18.765 -1.409 1.00 0.00 N ATOM 400 CA VAL A 25 -3.983 -19.257 -0.025 1.00 0.00 C ATOM 401 C VAL A 25 -3.390 -18.129 0.820 1.00 0.00 C ATOM 402 O VAL A 25 -2.765 -17.221 0.312 1.00 0.00 O ATOM 403 CB VAL A 25 -2.980 -20.411 -0.068 1.00 0.00 C ATOM 404 CG1 VAL A 25 -3.569 -21.582 -0.852 1.00 0.00 C ATOM 405 CG2 VAL A 25 -1.695 -19.935 -0.747 1.00 0.00 C ATOM 0 H VAL A 25 -3.417 -18.422 -1.906 1.00 0.00 H new ATOM 0 HA VAL A 25 -4.923 -19.595 0.410 1.00 0.00 H new ATOM 0 HB VAL A 25 -2.760 -20.738 0.948 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -2.850 -22.400 -0.879 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -4.485 -21.920 -0.368 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.793 -21.262 -1.870 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -0.976 -20.754 -0.780 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -1.920 -19.608 -1.762 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -1.272 -19.104 -0.183 1.00 0.00 H new ATOM 415 N CYS A 26 -3.567 -18.193 2.111 1.00 0.00 N ATOM 416 CA CYS A 26 -2.999 -17.137 2.993 1.00 0.00 C ATOM 417 C CYS A 26 -1.681 -17.646 3.580 1.00 0.00 C ATOM 418 O CYS A 26 -1.570 -18.788 3.978 1.00 0.00 O ATOM 419 CB CYS A 26 -3.981 -16.824 4.124 1.00 0.00 C ATOM 420 SG CYS A 26 -3.377 -15.409 5.077 1.00 0.00 S ATOM 0 H CYS A 26 -4.081 -18.931 2.592 1.00 0.00 H new ATOM 0 HA CYS A 26 -2.823 -16.228 2.418 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -4.967 -16.605 3.713 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -4.092 -17.692 4.774 1.00 0.00 H new ATOM 425 N GLY A 27 -0.677 -16.815 3.627 1.00 0.00 N ATOM 426 CA GLY A 27 0.636 -17.261 4.177 1.00 0.00 C ATOM 427 C GLY A 27 0.726 -16.907 5.664 1.00 0.00 C ATOM 428 O GLY A 27 0.334 -15.836 6.084 1.00 0.00 O ATOM 0 H GLY A 27 -0.708 -15.846 3.309 1.00 0.00 H new ATOM 0 HA2 GLY A 27 0.750 -18.337 4.043 1.00 0.00 H new ATOM 0 HA3 GLY A 27 1.450 -16.784 3.631 1.00 0.00 H new ATOM 432 N ASP A 28 1.243 -17.802 6.462 1.00 0.00 N ATOM 433 CA ASP A 28 1.364 -17.522 7.923 1.00 0.00 C ATOM 434 C ASP A 28 2.341 -16.366 8.143 1.00 0.00 C ATOM 435 O ASP A 28 2.445 -15.826 9.227 1.00 0.00 O ATOM 436 CB ASP A 28 1.883 -18.770 8.640 1.00 0.00 C ATOM 437 CG ASP A 28 3.250 -19.156 8.068 1.00 0.00 C ATOM 438 OD1 ASP A 28 3.769 -18.399 7.265 1.00 0.00 O ATOM 439 OD2 ASP A 28 3.752 -20.203 8.443 1.00 0.00 O ATOM 0 H ASP A 28 1.587 -18.715 6.166 1.00 0.00 H new ATOM 0 HA ASP A 28 0.386 -17.252 8.322 1.00 0.00 H new ATOM 0 HB2 ASP A 28 1.965 -18.580 9.710 1.00 0.00 H new ATOM 0 HB3 ASP A 28 1.179 -19.593 8.516 1.00 0.00 H new ATOM 444 N ASP A 29 3.058 -15.979 7.123 1.00 0.00 N ATOM 445 CA ASP A 29 4.026 -14.857 7.277 1.00 0.00 C ATOM 446 C ASP A 29 3.310 -13.528 7.024 1.00 0.00 C ATOM 447 O ASP A 29 3.933 -12.494 6.889 1.00 0.00 O ATOM 448 CB ASP A 29 5.164 -15.024 6.270 1.00 0.00 C ATOM 449 CG ASP A 29 4.596 -14.988 4.850 1.00 0.00 C ATOM 450 OD1 ASP A 29 3.405 -14.762 4.715 1.00 0.00 O ATOM 451 OD2 ASP A 29 5.362 -15.187 3.921 1.00 0.00 O ATOM 0 H ASP A 29 3.015 -16.391 6.191 1.00 0.00 H new ATOM 0 HA ASP A 29 4.433 -14.863 8.288 1.00 0.00 H new ATOM 0 HB2 ASP A 29 5.899 -14.229 6.400 1.00 0.00 H new ATOM 0 HB3 ASP A 29 5.681 -15.968 6.443 1.00 0.00 H new ATOM 456 N GLY A 30 2.007 -13.548 6.958 1.00 0.00 N ATOM 457 CA GLY A 30 1.255 -12.286 6.712 1.00 0.00 C ATOM 458 C GLY A 30 1.240 -11.987 5.212 1.00 0.00 C ATOM 459 O GLY A 30 1.036 -10.864 4.794 1.00 0.00 O ATOM 0 H GLY A 30 1.431 -14.383 7.064 1.00 0.00 H new ATOM 0 HA2 GLY A 30 0.235 -12.379 7.086 1.00 0.00 H new ATOM 0 HA3 GLY A 30 1.719 -11.462 7.254 1.00 0.00 H new ATOM 463 N GLN A 31 1.454 -12.984 4.398 1.00 0.00 N ATOM 464 CA GLN A 31 1.452 -12.758 2.925 1.00 0.00 C ATOM 465 C GLN A 31 0.399 -13.655 2.272 1.00 0.00 C ATOM 466 O GLN A 31 -0.162 -14.528 2.903 1.00 0.00 O ATOM 467 CB GLN A 31 2.832 -13.098 2.355 1.00 0.00 C ATOM 468 CG GLN A 31 3.841 -12.033 2.790 1.00 0.00 C ATOM 469 CD GLN A 31 5.244 -12.446 2.341 1.00 0.00 C ATOM 470 OE1 GLN A 31 5.439 -13.537 1.843 1.00 0.00 O ATOM 471 NE2 GLN A 31 6.237 -11.613 2.497 1.00 0.00 N ATOM 0 H GLN A 31 1.630 -13.946 4.689 1.00 0.00 H new ATOM 0 HA GLN A 31 1.219 -11.713 2.719 1.00 0.00 H new ATOM 0 HB2 GLN A 31 3.150 -14.080 2.705 1.00 0.00 H new ATOM 0 HB3 GLN A 31 2.786 -13.147 1.267 1.00 0.00 H new ATOM 0 HG2 GLN A 31 3.578 -11.069 2.356 1.00 0.00 H new ATOM 0 HG3 GLN A 31 3.815 -11.913 3.873 1.00 0.00 H new ATOM 0 HE21 GLN A 31 6.073 -10.697 2.915 1.00 0.00 H new ATOM 0 HE22 GLN A 31 7.176 -11.878 2.201 1.00 0.00 H new ATOM 480 N THR A 32 0.127 -13.450 1.013 1.00 0.00 N ATOM 481 CA THR A 32 -0.888 -14.294 0.320 1.00 0.00 C ATOM 482 C THR A 32 -0.292 -14.837 -0.979 1.00 0.00 C ATOM 483 O THR A 32 0.340 -14.121 -1.729 1.00 0.00 O ATOM 484 CB THR A 32 -2.122 -13.450 -0.005 1.00 0.00 C ATOM 485 OG1 THR A 32 -2.661 -12.915 1.195 1.00 0.00 O ATOM 486 CG2 THR A 32 -3.170 -14.325 -0.693 1.00 0.00 C ATOM 0 H THR A 32 0.564 -12.734 0.433 1.00 0.00 H new ATOM 0 HA THR A 32 -1.175 -15.122 0.968 1.00 0.00 H new ATOM 0 HB THR A 32 -1.839 -12.633 -0.669 1.00 0.00 H new ATOM 0 HG1 THR A 32 -2.280 -13.388 1.964 1.00 0.00 H new ATOM 0 HG21 THR A 32 -4.050 -13.725 -0.925 1.00 0.00 H new ATOM 0 HG22 THR A 32 -2.755 -14.732 -1.615 1.00 0.00 H new ATOM 0 HG23 THR A 32 -3.453 -15.143 -0.030 1.00 0.00 H new ATOM 494 N TYR A 33 -0.493 -16.096 -1.255 1.00 0.00 N ATOM 495 CA TYR A 33 0.060 -16.679 -2.510 1.00 0.00 C ATOM 496 C TYR A 33 -1.093 -17.107 -3.419 1.00 0.00 C ATOM 497 O TYR A 33 -1.924 -17.912 -3.047 1.00 0.00 O ATOM 498 CB TYR A 33 0.927 -17.890 -2.169 1.00 0.00 C ATOM 499 CG TYR A 33 2.021 -17.467 -1.217 1.00 0.00 C ATOM 500 CD1 TYR A 33 1.752 -17.355 0.152 1.00 0.00 C ATOM 501 CD2 TYR A 33 3.301 -17.181 -1.705 1.00 0.00 C ATOM 502 CE1 TYR A 33 2.764 -16.960 1.035 1.00 0.00 C ATOM 503 CE2 TYR A 33 4.314 -16.786 -0.822 1.00 0.00 C ATOM 504 CZ TYR A 33 4.045 -16.675 0.547 1.00 0.00 C ATOM 505 OH TYR A 33 5.043 -16.284 1.417 1.00 0.00 O ATOM 0 H TYR A 33 -1.015 -16.745 -0.667 1.00 0.00 H new ATOM 0 HA TYR A 33 0.669 -15.935 -3.024 1.00 0.00 H new ATOM 0 HB2 TYR A 33 0.318 -18.672 -1.717 1.00 0.00 H new ATOM 0 HB3 TYR A 33 1.361 -18.309 -3.077 1.00 0.00 H new ATOM 0 HD1 TYR A 33 0.763 -17.573 0.527 1.00 0.00 H new ATOM 0 HD2 TYR A 33 3.508 -17.265 -2.762 1.00 0.00 H new ATOM 0 HE1 TYR A 33 2.557 -16.875 2.092 1.00 0.00 H new ATOM 0 HE2 TYR A 33 5.303 -16.567 -1.198 1.00 0.00 H new ATOM 0 HH TYR A 33 5.068 -15.306 1.468 1.00 0.00 H new ATOM 515 N ASN A 34 -1.154 -16.567 -4.605 1.00 0.00 N ATOM 516 CA ASN A 34 -2.260 -16.934 -5.536 1.00 0.00 C ATOM 517 C ASN A 34 -2.465 -18.449 -5.525 1.00 0.00 C ATOM 518 O ASN A 34 -3.332 -18.961 -4.852 1.00 0.00 O ATOM 519 CB ASN A 34 -1.914 -16.476 -6.955 1.00 0.00 C ATOM 520 CG ASN A 34 -0.397 -16.503 -7.154 1.00 0.00 C ATOM 521 OD1 ASN A 34 0.328 -15.798 -6.482 1.00 0.00 O ATOM 522 ND2 ASN A 34 0.115 -17.295 -8.056 1.00 0.00 N ATOM 0 H ASN A 34 -0.486 -15.888 -4.970 1.00 0.00 H new ATOM 0 HA ASN A 34 -3.177 -16.443 -5.211 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -2.397 -17.126 -7.685 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -2.294 -15.469 -7.125 1.00 0.00 H new ATOM 0 HD21 ASN A 34 1.125 -17.322 -8.197 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -0.495 -17.887 -8.620 1.00 0.00 H new ATOM 529 N ASN A 35 -1.680 -19.168 -6.271 1.00 0.00 N ATOM 530 CA ASN A 35 -1.835 -20.650 -6.312 1.00 0.00 C ATOM 531 C ASN A 35 -1.164 -21.270 -5.083 1.00 0.00 C ATOM 532 O ASN A 35 -0.170 -20.772 -4.593 1.00 0.00 O ATOM 533 CB ASN A 35 -1.177 -21.178 -7.592 1.00 0.00 C ATOM 534 CG ASN A 35 -1.128 -22.705 -7.570 1.00 0.00 C ATOM 535 OD1 ASN A 35 -0.676 -23.296 -6.610 1.00 0.00 O ATOM 536 ND2 ASN A 35 -1.579 -23.373 -8.596 1.00 0.00 N ATOM 0 H ASN A 35 -0.934 -18.795 -6.858 1.00 0.00 H new ATOM 0 HA ASN A 35 -2.892 -20.916 -6.307 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -1.736 -20.838 -8.464 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -0.168 -20.776 -7.683 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -1.552 -24.393 -8.592 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -1.958 -22.876 -9.402 1.00 0.00 H new ATOM 543 N PRO A 36 -1.720 -22.384 -4.578 1.00 0.00 N ATOM 544 CA PRO A 36 -1.175 -23.083 -3.404 1.00 0.00 C ATOM 545 C PRO A 36 0.236 -23.613 -3.667 1.00 0.00 C ATOM 546 O PRO A 36 1.154 -23.346 -2.917 1.00 0.00 O ATOM 547 CB PRO A 36 -2.158 -24.237 -3.191 1.00 0.00 C ATOM 548 CG PRO A 36 -2.777 -24.439 -4.529 1.00 0.00 C ATOM 549 CD PRO A 36 -2.918 -23.059 -5.103 1.00 0.00 C ATOM 0 HA PRO A 36 -1.081 -22.430 -2.536 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -1.648 -25.137 -2.848 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -2.907 -23.989 -2.439 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -2.152 -25.068 -5.162 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -3.745 -24.933 -4.446 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -2.935 -23.070 -6.193 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -3.837 -22.573 -4.775 1.00 0.00 H new ATOM 557 N CYS A 37 0.427 -24.343 -4.732 1.00 0.00 N ATOM 558 CA CYS A 37 1.791 -24.855 -5.032 1.00 0.00 C ATOM 559 C CYS A 37 2.710 -23.658 -5.265 1.00 0.00 C ATOM 560 O CYS A 37 3.903 -23.721 -5.047 1.00 0.00 O ATOM 561 CB CYS A 37 1.749 -25.730 -6.288 1.00 0.00 C ATOM 562 SG CYS A 37 3.438 -26.063 -6.852 1.00 0.00 S ATOM 0 H CYS A 37 -0.297 -24.605 -5.401 1.00 0.00 H new ATOM 0 HA CYS A 37 2.160 -25.455 -4.201 1.00 0.00 H new ATOM 0 HB2 CYS A 37 1.235 -26.667 -6.074 1.00 0.00 H new ATOM 0 HB3 CYS A 37 1.184 -25.229 -7.074 1.00 0.00 H new ATOM 567 N MET A 38 2.152 -22.559 -5.697 1.00 0.00 N ATOM 568 CA MET A 38 2.975 -21.341 -5.935 1.00 0.00 C ATOM 569 C MET A 38 3.535 -20.855 -4.597 1.00 0.00 C ATOM 570 O MET A 38 4.468 -20.078 -4.546 1.00 0.00 O ATOM 571 CB MET A 38 2.098 -20.251 -6.556 1.00 0.00 C ATOM 572 CG MET A 38 2.159 -20.354 -8.083 1.00 0.00 C ATOM 573 SD MET A 38 3.860 -20.081 -8.639 1.00 0.00 S ATOM 574 CE MET A 38 3.948 -18.319 -8.240 1.00 0.00 C ATOM 0 H MET A 38 1.157 -22.453 -5.896 1.00 0.00 H new ATOM 0 HA MET A 38 3.796 -21.570 -6.615 1.00 0.00 H new ATOM 0 HB2 MET A 38 1.069 -20.359 -6.214 1.00 0.00 H new ATOM 0 HB3 MET A 38 2.439 -19.267 -6.233 1.00 0.00 H new ATOM 0 HG2 MET A 38 1.813 -21.336 -8.406 1.00 0.00 H new ATOM 0 HG3 MET A 38 1.495 -19.617 -8.535 1.00 0.00 H new ATOM 0 HE1 MET A 38 4.115 -17.747 -9.153 1.00 0.00 H new ATOM 0 HE2 MET A 38 3.012 -18.003 -7.780 1.00 0.00 H new ATOM 0 HE3 MET A 38 4.770 -18.144 -7.546 1.00 0.00 H new ATOM 584 N LEU A 39 2.974 -21.319 -3.512 1.00 0.00 N ATOM 585 CA LEU A 39 3.474 -20.900 -2.173 1.00 0.00 C ATOM 586 C LEU A 39 4.878 -21.464 -1.979 1.00 0.00 C ATOM 587 O LEU A 39 5.823 -20.742 -1.731 1.00 0.00 O ATOM 588 CB LEU A 39 2.540 -21.448 -1.090 1.00 0.00 C ATOM 589 CG LEU A 39 3.174 -21.237 0.285 1.00 0.00 C ATOM 590 CD1 LEU A 39 3.134 -19.751 0.640 1.00 0.00 C ATOM 591 CD2 LEU A 39 2.396 -22.033 1.336 1.00 0.00 C ATOM 0 H LEU A 39 2.190 -21.971 -3.497 1.00 0.00 H new ATOM 0 HA LEU A 39 3.501 -19.813 -2.103 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.575 -20.944 -1.138 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.354 -22.509 -1.258 1.00 0.00 H new ATOM 0 HG LEU A 39 4.209 -21.580 0.264 1.00 0.00 H new ATOM 0 HD11 LEU A 39 3.586 -19.599 1.620 1.00 0.00 H new ATOM 0 HD12 LEU A 39 3.689 -19.183 -0.107 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.099 -19.410 0.660 1.00 0.00 H new ATOM 0 HD21 LEU A 39 2.849 -21.882 2.316 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.361 -21.692 1.358 1.00 0.00 H new ATOM 0 HD23 LEU A 39 2.423 -23.093 1.083 1.00 0.00 H new ATOM 603 N CYS A 40 5.023 -22.752 -2.111 1.00 0.00 N ATOM 604 CA CYS A 40 6.368 -23.368 -1.959 1.00 0.00 C ATOM 605 C CYS A 40 7.315 -22.726 -2.972 1.00 0.00 C ATOM 606 O CYS A 40 8.518 -22.718 -2.800 1.00 0.00 O ATOM 607 CB CYS A 40 6.267 -24.867 -2.225 1.00 0.00 C ATOM 608 SG CYS A 40 7.787 -25.671 -1.681 1.00 0.00 S ATOM 0 H CYS A 40 4.267 -23.405 -2.318 1.00 0.00 H new ATOM 0 HA CYS A 40 6.745 -23.209 -0.949 1.00 0.00 H new ATOM 0 HB2 CYS A 40 5.411 -25.285 -1.696 1.00 0.00 H new ATOM 0 HB3 CYS A 40 6.105 -25.050 -3.287 1.00 0.00 H new ATOM 613 N HIS A 41 6.772 -22.179 -4.025 1.00 0.00 N ATOM 614 CA HIS A 41 7.624 -21.523 -5.055 1.00 0.00 C ATOM 615 C HIS A 41 8.149 -20.202 -4.495 1.00 0.00 C ATOM 616 O HIS A 41 9.341 -19.997 -4.375 1.00 0.00 O ATOM 617 CB HIS A 41 6.788 -21.247 -6.304 1.00 0.00 C ATOM 618 CG HIS A 41 7.696 -21.052 -7.487 1.00 0.00 C ATOM 619 ND1 HIS A 41 8.493 -22.070 -7.984 1.00 0.00 N ATOM 620 CD2 HIS A 41 7.940 -19.960 -8.283 1.00 0.00 C ATOM 621 CE1 HIS A 41 9.174 -21.576 -9.034 1.00 0.00 C ATOM 622 NE2 HIS A 41 8.875 -20.294 -9.260 1.00 0.00 N ATOM 0 H HIS A 41 5.770 -22.159 -4.216 1.00 0.00 H new ATOM 0 HA HIS A 41 8.459 -22.174 -5.314 1.00 0.00 H new ATOM 0 HB2 HIS A 41 6.107 -22.078 -6.489 1.00 0.00 H new ATOM 0 HB3 HIS A 41 6.174 -20.359 -6.154 1.00 0.00 H new ATOM 0 HD2 HIS A 41 7.478 -18.991 -8.169 1.00 0.00 H new ATOM 0 HE1 HIS A 41 9.877 -22.147 -9.623 1.00 0.00 H new ATOM 0 HE2 HIS A 41 9.251 -19.690 -9.991 1.00 0.00 H new ATOM 630 N GLU A 42 7.266 -19.308 -4.140 1.00 0.00 N ATOM 631 CA GLU A 42 7.716 -18.007 -3.576 1.00 0.00 C ATOM 632 C GLU A 42 8.554 -18.280 -2.330 1.00 0.00 C ATOM 633 O GLU A 42 9.312 -17.444 -1.879 1.00 0.00 O ATOM 634 CB GLU A 42 6.496 -17.163 -3.201 1.00 0.00 C ATOM 635 CG GLU A 42 5.743 -16.767 -4.473 1.00 0.00 C ATOM 636 CD GLU A 42 4.713 -15.685 -4.140 1.00 0.00 C ATOM 637 OE1 GLU A 42 4.669 -15.270 -2.994 1.00 0.00 O ATOM 638 OE2 GLU A 42 3.986 -15.291 -5.037 1.00 0.00 O ATOM 0 H GLU A 42 6.255 -19.423 -4.217 1.00 0.00 H new ATOM 0 HA GLU A 42 8.310 -17.466 -4.312 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.840 -17.726 -2.537 1.00 0.00 H new ATOM 0 HB3 GLU A 42 6.810 -16.271 -2.658 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.443 -16.399 -5.223 1.00 0.00 H new ATOM 0 HG3 GLU A 42 5.246 -17.638 -4.900 1.00 0.00 H new ATOM 645 N ASN A 43 8.427 -19.455 -1.776 1.00 0.00 N ATOM 646 CA ASN A 43 9.219 -19.797 -0.563 1.00 0.00 C ATOM 647 C ASN A 43 10.657 -20.106 -0.979 1.00 0.00 C ATOM 648 O ASN A 43 11.601 -19.736 -0.311 1.00 0.00 O ATOM 649 CB ASN A 43 8.609 -21.024 0.115 1.00 0.00 C ATOM 650 CG ASN A 43 7.290 -20.636 0.786 1.00 0.00 C ATOM 651 OD1 ASN A 43 7.061 -19.479 1.079 1.00 0.00 O ATOM 652 ND2 ASN A 43 6.405 -21.562 1.040 1.00 0.00 N ATOM 0 H ASN A 43 7.808 -20.193 -2.112 1.00 0.00 H new ATOM 0 HA ASN A 43 9.209 -18.959 0.133 1.00 0.00 H new ATOM 0 HB2 ASN A 43 8.437 -21.811 -0.620 1.00 0.00 H new ATOM 0 HB3 ASN A 43 9.301 -21.425 0.855 1.00 0.00 H new ATOM 0 HD21 ASN A 43 5.521 -21.314 1.485 1.00 0.00 H new ATOM 0 HD22 ASN A 43 6.598 -22.533 0.794 1.00 0.00 H new ATOM 659 N LEU A 44 10.831 -20.776 -2.086 1.00 0.00 N ATOM 660 CA LEU A 44 12.207 -21.100 -2.549 1.00 0.00 C ATOM 661 C LEU A 44 13.007 -19.803 -2.665 1.00 0.00 C ATOM 662 O LEU A 44 14.181 -19.753 -2.360 1.00 0.00 O ATOM 663 CB LEU A 44 12.138 -21.786 -3.915 1.00 0.00 C ATOM 664 CG LEU A 44 13.483 -22.443 -4.228 1.00 0.00 C ATOM 665 CD1 LEU A 44 14.544 -21.360 -4.438 1.00 0.00 C ATOM 666 CD2 LEU A 44 13.896 -23.341 -3.060 1.00 0.00 C ATOM 0 H LEU A 44 10.079 -21.112 -2.688 1.00 0.00 H new ATOM 0 HA LEU A 44 12.691 -21.769 -1.837 1.00 0.00 H new ATOM 0 HB2 LEU A 44 11.347 -22.535 -3.917 1.00 0.00 H new ATOM 0 HB3 LEU A 44 11.889 -21.058 -4.687 1.00 0.00 H new ATOM 0 HG LEU A 44 13.392 -23.043 -5.134 1.00 0.00 H new ATOM 0 HD11 LEU A 44 15.503 -21.828 -4.661 1.00 0.00 H new ATOM 0 HD12 LEU A 44 14.251 -20.720 -5.270 1.00 0.00 H new ATOM 0 HD13 LEU A 44 14.635 -20.760 -3.533 1.00 0.00 H new ATOM 0 HD21 LEU A 44 14.855 -23.810 -3.283 1.00 0.00 H new ATOM 0 HD22 LEU A 44 13.987 -22.741 -2.154 1.00 0.00 H new ATOM 0 HD23 LEU A 44 13.141 -24.113 -2.910 1.00 0.00 H new ATOM 678 N ILE A 45 12.371 -18.747 -3.095 1.00 0.00 N ATOM 679 CA ILE A 45 13.084 -17.446 -3.222 1.00 0.00 C ATOM 680 C ILE A 45 13.275 -16.847 -1.829 1.00 0.00 C ATOM 681 O ILE A 45 14.345 -16.392 -1.476 1.00 0.00 O ATOM 682 CB ILE A 45 12.251 -16.487 -4.076 1.00 0.00 C ATOM 683 CG1 ILE A 45 11.651 -17.249 -5.258 1.00 0.00 C ATOM 684 CG2 ILE A 45 13.144 -15.360 -4.597 1.00 0.00 C ATOM 685 CD1 ILE A 45 11.011 -16.258 -6.231 1.00 0.00 C ATOM 0 H ILE A 45 11.387 -18.730 -3.364 1.00 0.00 H new ATOM 0 HA ILE A 45 14.053 -17.602 -3.696 1.00 0.00 H new ATOM 0 HB ILE A 45 11.449 -16.064 -3.470 1.00 0.00 H new ATOM 0 HG12 ILE A 45 12.426 -17.824 -5.765 1.00 0.00 H new ATOM 0 HG13 ILE A 45 10.905 -17.961 -4.905 1.00 0.00 H new ATOM 0 HG21 ILE A 45 12.551 -14.677 -5.205 1.00 0.00 H new ATOM 0 HG22 ILE A 45 13.573 -14.817 -3.755 1.00 0.00 H new ATOM 0 HG23 ILE A 45 13.946 -15.782 -5.203 1.00 0.00 H new ATOM 0 HD11 ILE A 45 10.583 -16.801 -7.074 1.00 0.00 H new ATOM 0 HD12 ILE A 45 10.225 -15.703 -5.720 1.00 0.00 H new ATOM 0 HD13 ILE A 45 11.769 -15.563 -6.594 1.00 0.00 H new ATOM 697 N ARG A 46 12.242 -16.852 -1.031 1.00 0.00 N ATOM 698 CA ARG A 46 12.359 -16.291 0.344 1.00 0.00 C ATOM 699 C ARG A 46 13.274 -17.189 1.177 1.00 0.00 C ATOM 700 O ARG A 46 13.921 -16.743 2.104 1.00 0.00 O ATOM 701 CB ARG A 46 10.973 -16.232 0.991 1.00 0.00 C ATOM 702 CG ARG A 46 11.036 -15.365 2.250 1.00 0.00 C ATOM 703 CD ARG A 46 9.656 -15.322 2.908 1.00 0.00 C ATOM 704 NE ARG A 46 9.739 -14.561 4.187 1.00 0.00 N ATOM 705 CZ ARG A 46 9.323 -13.324 4.238 1.00 0.00 C ATOM 706 NH1 ARG A 46 10.186 -12.346 4.280 1.00 0.00 N ATOM 707 NH2 ARG A 46 8.044 -13.066 4.248 1.00 0.00 N ATOM 0 H ARG A 46 11.322 -17.221 -1.272 1.00 0.00 H new ATOM 0 HA ARG A 46 12.778 -15.286 0.296 1.00 0.00 H new ATOM 0 HB2 ARG A 46 10.249 -15.820 0.288 1.00 0.00 H new ATOM 0 HB3 ARG A 46 10.635 -17.237 1.245 1.00 0.00 H new ATOM 0 HG2 ARG A 46 11.771 -15.769 2.947 1.00 0.00 H new ATOM 0 HG3 ARG A 46 11.360 -14.356 1.994 1.00 0.00 H new ATOM 0 HD2 ARG A 46 8.936 -14.851 2.238 1.00 0.00 H new ATOM 0 HD3 ARG A 46 9.300 -16.335 3.097 1.00 0.00 H new ATOM 0 HE ARG A 46 10.120 -15.006 5.022 1.00 0.00 H new ATOM 0 HH11 ARG A 46 11.186 -12.547 4.273 1.00 0.00 H new ATOM 0 HH12 ARG A 46 9.861 -11.380 4.320 1.00 0.00 H new ATOM 0 HH21 ARG A 46 7.369 -13.830 4.216 1.00 0.00 H new ATOM 0 HH22 ARG A 46 7.719 -12.100 4.288 1.00 0.00 H new ATOM 721 N GLN A 47 13.333 -18.452 0.852 1.00 0.00 N ATOM 722 CA GLN A 47 14.206 -19.383 1.619 1.00 0.00 C ATOM 723 C GLN A 47 13.722 -19.467 3.067 1.00 0.00 C ATOM 724 O GLN A 47 14.507 -19.471 3.995 1.00 0.00 O ATOM 725 CB GLN A 47 15.648 -18.874 1.587 1.00 0.00 C ATOM 726 CG GLN A 47 16.161 -18.892 0.146 1.00 0.00 C ATOM 727 CD GLN A 47 17.616 -18.419 0.115 1.00 0.00 C ATOM 728 OE1 GLN A 47 18.118 -17.897 1.090 1.00 0.00 O ATOM 729 NE2 GLN A 47 18.318 -18.580 -0.973 1.00 0.00 N ATOM 0 H GLN A 47 12.812 -18.879 0.086 1.00 0.00 H new ATOM 0 HA GLN A 47 14.162 -20.374 1.168 1.00 0.00 H new ATOM 0 HB2 GLN A 47 15.697 -17.862 1.990 1.00 0.00 H new ATOM 0 HB3 GLN A 47 16.280 -19.499 2.218 1.00 0.00 H new ATOM 0 HG2 GLN A 47 16.086 -19.899 -0.265 1.00 0.00 H new ATOM 0 HG3 GLN A 47 15.544 -18.246 -0.479 1.00 0.00 H new ATOM 0 HE21 GLN A 47 17.896 -19.018 -1.792 1.00 0.00 H new ATOM 0 HE22 GLN A 47 19.288 -18.267 -1.005 1.00 0.00 H new ATOM 738 N THR A 48 12.435 -19.542 3.269 1.00 0.00 N ATOM 739 CA THR A 48 11.902 -19.633 4.658 1.00 0.00 C ATOM 740 C THR A 48 10.889 -20.777 4.735 1.00 0.00 C ATOM 741 O THR A 48 10.566 -21.401 3.744 1.00 0.00 O ATOM 742 CB THR A 48 11.216 -18.317 5.035 1.00 0.00 C ATOM 743 OG1 THR A 48 10.119 -18.089 4.161 1.00 0.00 O ATOM 744 CG2 THR A 48 12.213 -17.164 4.914 1.00 0.00 C ATOM 0 H THR A 48 11.729 -19.544 2.532 1.00 0.00 H new ATOM 0 HA THR A 48 12.722 -19.821 5.351 1.00 0.00 H new ATOM 0 HB THR A 48 10.858 -18.377 6.063 1.00 0.00 H new ATOM 0 HG1 THR A 48 9.283 -18.321 4.617 1.00 0.00 H new ATOM 0 HG21 THR A 48 11.722 -16.229 5.183 1.00 0.00 H new ATOM 0 HG22 THR A 48 13.054 -17.338 5.585 1.00 0.00 H new ATOM 0 HG23 THR A 48 12.575 -17.102 3.888 1.00 0.00 H new ATOM 752 N ASN A 49 10.382 -21.056 5.904 1.00 0.00 N ATOM 753 CA ASN A 49 9.388 -22.158 6.040 1.00 0.00 C ATOM 754 C ASN A 49 7.983 -21.560 6.134 1.00 0.00 C ATOM 755 O ASN A 49 7.313 -21.677 7.141 1.00 0.00 O ATOM 756 CB ASN A 49 9.688 -22.965 7.304 1.00 0.00 C ATOM 757 CG ASN A 49 11.076 -23.597 7.187 1.00 0.00 C ATOM 758 OD1 ASN A 49 11.600 -23.741 6.100 1.00 0.00 O ATOM 759 ND2 ASN A 49 11.698 -23.982 8.268 1.00 0.00 N ATOM 0 H ASN A 49 10.613 -20.569 6.770 1.00 0.00 H new ATOM 0 HA ASN A 49 9.448 -22.815 5.172 1.00 0.00 H new ATOM 0 HB2 ASN A 49 9.644 -22.318 8.180 1.00 0.00 H new ATOM 0 HB3 ASN A 49 8.934 -23.740 7.441 1.00 0.00 H new ATOM 0 HD21 ASN A 49 12.624 -24.404 8.201 1.00 0.00 H new ATOM 0 HD22 ASN A 49 11.258 -23.861 9.180 1.00 0.00 H new ATOM 766 N THR A 50 7.536 -20.914 5.093 1.00 0.00 N ATOM 767 CA THR A 50 6.177 -20.301 5.120 1.00 0.00 C ATOM 768 C THR A 50 5.113 -21.383 4.937 1.00 0.00 C ATOM 769 O THR A 50 5.196 -22.207 4.047 1.00 0.00 O ATOM 770 CB THR A 50 6.053 -19.281 3.987 1.00 0.00 C ATOM 771 OG1 THR A 50 7.083 -18.311 4.111 1.00 0.00 O ATOM 772 CG2 THR A 50 4.687 -18.593 4.064 1.00 0.00 C ATOM 0 H THR A 50 8.053 -20.784 4.224 1.00 0.00 H new ATOM 0 HA THR A 50 6.030 -19.807 6.080 1.00 0.00 H new ATOM 0 HB THR A 50 6.147 -19.789 3.027 1.00 0.00 H new ATOM 0 HG1 THR A 50 7.006 -17.658 3.385 1.00 0.00 H new ATOM 0 HG21 THR A 50 4.600 -17.866 3.256 1.00 0.00 H new ATOM 0 HG22 THR A 50 3.898 -19.339 3.968 1.00 0.00 H new ATOM 0 HG23 THR A 50 4.590 -18.083 5.023 1.00 0.00 H new ATOM 780 N HIS A 51 4.106 -21.378 5.763 1.00 0.00 N ATOM 781 CA HIS A 51 3.025 -22.393 5.632 1.00 0.00 C ATOM 782 C HIS A 51 1.719 -21.676 5.290 1.00 0.00 C ATOM 783 O HIS A 51 1.639 -20.465 5.326 1.00 0.00 O ATOM 784 CB HIS A 51 2.861 -23.145 6.954 1.00 0.00 C ATOM 785 CG HIS A 51 4.189 -23.697 7.392 1.00 0.00 C ATOM 786 ND1 HIS A 51 5.147 -22.911 8.013 1.00 0.00 N ATOM 787 CD2 HIS A 51 4.730 -24.955 7.311 1.00 0.00 C ATOM 788 CE1 HIS A 51 6.206 -23.698 8.280 1.00 0.00 C ATOM 789 NE2 HIS A 51 6.004 -24.953 7.870 1.00 0.00 N ATOM 0 H HIS A 51 3.984 -20.712 6.526 1.00 0.00 H new ATOM 0 HA HIS A 51 3.279 -23.104 4.846 1.00 0.00 H new ATOM 0 HB2 HIS A 51 2.465 -22.475 7.718 1.00 0.00 H new ATOM 0 HB3 HIS A 51 2.141 -23.955 6.836 1.00 0.00 H new ATOM 0 HD1 HIS A 51 5.065 -21.917 8.228 1.00 0.00 H new ATOM 0 HD2 HIS A 51 4.241 -25.816 6.879 1.00 0.00 H new ATOM 0 HE1 HIS A 51 7.108 -23.357 8.766 1.00 0.00 H new ATOM 797 N ILE A 52 0.691 -22.409 4.964 1.00 0.00 N ATOM 798 CA ILE A 52 -0.602 -21.751 4.630 1.00 0.00 C ATOM 799 C ILE A 52 -1.317 -21.364 5.923 1.00 0.00 C ATOM 800 O ILE A 52 -1.565 -22.187 6.782 1.00 0.00 O ATOM 801 CB ILE A 52 -1.479 -22.713 3.830 1.00 0.00 C ATOM 802 CG1 ILE A 52 -0.737 -23.147 2.564 1.00 0.00 C ATOM 803 CG2 ILE A 52 -2.777 -22.003 3.442 1.00 0.00 C ATOM 804 CD1 ILE A 52 -1.712 -23.846 1.617 1.00 0.00 C ATOM 0 H ILE A 52 0.690 -23.428 4.915 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.413 -20.859 4.033 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.707 -23.591 4.434 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.295 -22.280 2.073 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.082 -23.819 2.822 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -3.408 -22.684 2.871 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -3.304 -21.690 4.343 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.546 -21.128 2.835 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -1.184 -24.155 0.715 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -2.133 -24.722 2.110 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.515 -23.159 1.350 1.00 0.00 H new ATOM 816 N ARG A 53 -1.646 -20.113 6.070 1.00 0.00 N ATOM 817 CA ARG A 53 -2.342 -19.659 7.305 1.00 0.00 C ATOM 818 C ARG A 53 -3.825 -20.003 7.204 1.00 0.00 C ATOM 819 O ARG A 53 -4.439 -20.455 8.151 1.00 0.00 O ATOM 820 CB ARG A 53 -2.179 -18.145 7.443 1.00 0.00 C ATOM 821 CG ARG A 53 -2.912 -17.663 8.694 1.00 0.00 C ATOM 822 CD ARG A 53 -2.789 -16.142 8.800 1.00 0.00 C ATOM 823 NE ARG A 53 -3.344 -15.688 10.107 1.00 0.00 N ATOM 824 CZ ARG A 53 -2.650 -15.848 11.201 1.00 0.00 C ATOM 825 NH1 ARG A 53 -1.453 -15.338 11.296 1.00 0.00 N ATOM 826 NH2 ARG A 53 -3.156 -16.516 12.201 1.00 0.00 N ATOM 0 H ARG A 53 -1.462 -19.381 5.384 1.00 0.00 H new ATOM 0 HA ARG A 53 -1.912 -20.156 8.175 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -1.122 -17.887 7.507 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -2.577 -17.644 6.560 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -3.962 -17.952 8.648 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -2.490 -18.136 9.581 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -1.744 -15.844 8.713 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -3.325 -15.665 7.980 1.00 0.00 H new ATOM 0 HE ARG A 53 -4.266 -15.253 10.146 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -1.059 -14.814 10.515 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -0.912 -15.464 12.151 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -4.093 -16.913 12.127 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -2.615 -16.642 13.056 1.00 0.00 H new ATOM 840 N SER A 54 -4.400 -19.792 6.058 1.00 0.00 N ATOM 841 CA SER A 54 -5.843 -20.102 5.872 1.00 0.00 C ATOM 842 C SER A 54 -6.133 -20.235 4.378 1.00 0.00 C ATOM 843 O SER A 54 -5.438 -19.681 3.550 1.00 0.00 O ATOM 844 CB SER A 54 -6.691 -18.970 6.455 1.00 0.00 C ATOM 845 OG SER A 54 -7.982 -19.464 6.778 1.00 0.00 O ATOM 0 H SER A 54 -3.930 -19.415 5.235 1.00 0.00 H new ATOM 0 HA SER A 54 -6.087 -21.034 6.382 1.00 0.00 H new ATOM 0 HB2 SER A 54 -6.212 -18.564 7.346 1.00 0.00 H new ATOM 0 HB3 SER A 54 -6.771 -18.154 5.737 1.00 0.00 H new ATOM 0 HG SER A 54 -8.525 -18.740 7.153 1.00 0.00 H new ATOM 851 N THR A 55 -7.153 -20.962 4.022 1.00 0.00 N ATOM 852 CA THR A 55 -7.476 -21.120 2.578 1.00 0.00 C ATOM 853 C THR A 55 -8.021 -19.798 2.038 1.00 0.00 C ATOM 854 O THR A 55 -8.719 -19.077 2.721 1.00 0.00 O ATOM 855 CB THR A 55 -8.524 -22.221 2.405 1.00 0.00 C ATOM 856 OG1 THR A 55 -9.782 -21.753 2.870 1.00 0.00 O ATOM 857 CG2 THR A 55 -8.110 -23.455 3.207 1.00 0.00 C ATOM 0 H THR A 55 -7.775 -21.452 4.665 1.00 0.00 H new ATOM 0 HA THR A 55 -6.576 -21.394 2.028 1.00 0.00 H new ATOM 0 HB THR A 55 -8.601 -22.485 1.350 1.00 0.00 H new ATOM 0 HG1 THR A 55 -10.455 -22.457 2.758 1.00 0.00 H new ATOM 0 HG21 THR A 55 -8.858 -24.238 3.082 1.00 0.00 H new ATOM 0 HG22 THR A 55 -7.145 -23.815 2.849 1.00 0.00 H new ATOM 0 HG23 THR A 55 -8.031 -23.193 4.262 1.00 0.00 H new ATOM 865 N GLY A 56 -7.700 -19.472 0.817 1.00 0.00 N ATOM 866 CA GLY A 56 -8.192 -18.194 0.234 1.00 0.00 C ATOM 867 C GLY A 56 -7.161 -17.095 0.491 1.00 0.00 C ATOM 868 O GLY A 56 -6.235 -17.263 1.260 1.00 0.00 O ATOM 0 H GLY A 56 -7.118 -20.036 0.198 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -8.359 -18.309 -0.837 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -9.149 -17.922 0.679 1.00 0.00 H new ATOM 872 N LYS A 57 -7.315 -15.971 -0.148 1.00 0.00 N ATOM 873 CA LYS A 57 -6.345 -14.858 0.056 1.00 0.00 C ATOM 874 C LYS A 57 -6.459 -14.340 1.492 1.00 0.00 C ATOM 875 O LYS A 57 -7.501 -14.417 2.109 1.00 0.00 O ATOM 876 CB LYS A 57 -6.662 -13.723 -0.921 1.00 0.00 C ATOM 877 CG LYS A 57 -6.520 -14.232 -2.357 1.00 0.00 C ATOM 878 CD LYS A 57 -6.556 -13.046 -3.322 1.00 0.00 C ATOM 879 CE LYS A 57 -6.523 -13.560 -4.763 1.00 0.00 C ATOM 880 NZ LYS A 57 -5.120 -13.539 -5.265 1.00 0.00 N ATOM 0 H LYS A 57 -8.071 -15.773 -0.804 1.00 0.00 H new ATOM 0 HA LYS A 57 -5.332 -15.220 -0.121 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -7.674 -13.356 -0.752 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -5.986 -12.884 -0.753 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -5.584 -14.779 -2.470 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -7.326 -14.928 -2.589 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -7.457 -12.455 -3.156 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -5.706 -12.389 -3.139 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -6.922 -14.573 -4.808 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -7.157 -12.939 -5.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -5.096 -13.888 -6.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -4.755 -12.565 -5.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -4.528 -14.149 -4.666 1.00 0.00 H new ATOM 894 N CYS A 58 -5.392 -13.812 2.028 1.00 0.00 N ATOM 895 CA CYS A 58 -5.441 -13.290 3.422 1.00 0.00 C ATOM 896 C CYS A 58 -6.475 -12.165 3.506 1.00 0.00 C ATOM 897 O CYS A 58 -6.749 -11.488 2.535 1.00 0.00 O ATOM 898 CB CYS A 58 -4.064 -12.747 3.815 1.00 0.00 C ATOM 899 SG CYS A 58 -2.831 -14.065 3.673 1.00 0.00 S ATOM 0 H CYS A 58 -4.490 -13.720 1.561 1.00 0.00 H new ATOM 0 HA CYS A 58 -5.720 -14.095 4.102 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -3.794 -11.911 3.170 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -4.089 -12.367 4.836 1.00 0.00 H new ATOM 904 N GLU A 59 -7.053 -11.961 4.659 1.00 0.00 N ATOM 905 CA GLU A 59 -8.068 -10.881 4.800 1.00 0.00 C ATOM 906 C GLU A 59 -7.406 -9.631 5.383 1.00 0.00 C ATOM 907 O GLU A 59 -6.327 -9.760 5.937 1.00 0.00 O ATOM 908 CB GLU A 59 -9.186 -11.350 5.735 1.00 0.00 C ATOM 909 CG GLU A 59 -10.306 -10.308 5.753 1.00 0.00 C ATOM 910 CD GLU A 59 -11.379 -10.734 6.757 1.00 0.00 C ATOM 911 OE1 GLU A 59 -11.204 -11.768 7.380 1.00 0.00 O ATOM 912 OE2 GLU A 59 -12.360 -10.018 6.885 1.00 0.00 O ATOM 913 OXT GLU A 59 -7.989 -8.566 5.265 1.00 0.00 O ATOM 0 H GLU A 59 -6.866 -12.495 5.507 1.00 0.00 H new ATOM 0 HA GLU A 59 -8.487 -10.647 3.821 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -9.575 -12.312 5.401 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -8.795 -11.497 6.742 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -9.905 -9.331 6.025 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -10.741 -10.208 4.759 1.00 0.00 H new TER 920 GLU A 59