USER MOD reduce.3.24.130724 H: found=0, std=0, add=453, rem=0, adj=13 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 31 GLN : amide:sc= -0.0122 K(o=0.86,f=-1.1!) USER MOD Set 1.2: A 33 TYR OH : rot -16:sc= 0.875 USER MOD Set 2.1: A 2 SER OG : rot 106:sc= 0.288 USER MOD Set 2.2: A 51 HIS :FLIP no HD1:sc= -4.95 F(o=-6.1!,f=-4.7) USER MOD Set 3.1: A 1 ASP N :NH3+ 142:sc= -1.54 (180deg=1.05) USER MOD Set 3.2: A 4 MET CE :methyl -124:sc= -1.96 (180deg=-1.19) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot 173:sc= -0.583 USER MOD Single : A 16 TYR OH : rot 174:sc= -1.67! USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 170:sc= -0.479 USER MOD Single : A 34 ASN : amide:sc= -0.324 X(o=-0.32,f=-0.6) USER MOD Single : A 35 ASN : amide:sc= -7.57! C(o=-7.6!,f=-21!) USER MOD Single : A 38 MET CE :methyl -153:sc= -0.177 (180deg=-1.23) USER MOD Single : A 41 HIS : no HD1:sc= -0.371 K(o=-0.37,f=-5.2!) USER MOD Single : A 43 ASN : amide:sc= -3.06 K(o=-3.1,f=-4.2!) USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 48 THR OG1 : rot 180:sc=-0.00224 USER MOD Single : A 49 ASN : amide:sc=-0.00693 K(o=-0.0069,f=-1.7!) USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.819 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 0.950 -27.968 3.072 1.00 0.00 N ATOM 2 CA ASP A 1 1.788 -27.149 3.992 1.00 0.00 C ATOM 3 C ASP A 1 3.256 -27.271 3.590 1.00 0.00 C ATOM 4 O ASP A 1 3.592 -27.904 2.609 1.00 0.00 O ATOM 5 CB ASP A 1 1.618 -27.654 5.425 1.00 0.00 C ATOM 6 CG ASP A 1 1.751 -29.178 5.446 1.00 0.00 C ATOM 7 OD1 ASP A 1 2.094 -29.737 4.416 1.00 0.00 O ATOM 8 OD2 ASP A 1 1.508 -29.761 6.490 1.00 0.00 O ATOM 0 H1 ASP A 1 0.182 -28.418 3.610 1.00 0.00 H new ATOM 0 H2 ASP A 1 0.545 -27.357 2.335 1.00 0.00 H new ATOM 0 H3 ASP A 1 1.538 -28.702 2.628 1.00 0.00 H new ATOM 0 HA ASP A 1 1.476 -26.107 3.931 1.00 0.00 H new ATOM 0 HB2 ASP A 1 2.370 -27.203 6.073 1.00 0.00 H new ATOM 0 HB3 ASP A 1 0.644 -27.358 5.814 1.00 0.00 H new ATOM 15 N SER A 2 4.135 -26.673 4.345 1.00 0.00 N ATOM 16 CA SER A 2 5.583 -26.756 4.012 1.00 0.00 C ATOM 17 C SER A 2 5.997 -28.225 3.928 1.00 0.00 C ATOM 18 O SER A 2 6.910 -28.583 3.210 1.00 0.00 O ATOM 19 CB SER A 2 6.394 -26.065 5.108 1.00 0.00 C ATOM 20 OG SER A 2 6.412 -24.664 4.873 1.00 0.00 O ATOM 0 H SER A 2 3.912 -26.130 5.179 1.00 0.00 H new ATOM 0 HA SER A 2 5.768 -26.267 3.056 1.00 0.00 H new ATOM 0 HB2 SER A 2 5.958 -26.275 6.085 1.00 0.00 H new ATOM 0 HB3 SER A 2 7.412 -26.455 5.123 1.00 0.00 H new ATOM 0 HG SER A 2 5.820 -24.217 5.513 1.00 0.00 H new ATOM 26 N GLU A 3 5.329 -29.081 4.653 1.00 0.00 N ATOM 27 CA GLU A 3 5.683 -30.525 4.610 1.00 0.00 C ATOM 28 C GLU A 3 5.687 -30.989 3.156 1.00 0.00 C ATOM 29 O GLU A 3 6.372 -31.925 2.792 1.00 0.00 O ATOM 30 CB GLU A 3 4.655 -31.331 5.407 1.00 0.00 C ATOM 31 CG GLU A 3 5.242 -31.690 6.774 1.00 0.00 C ATOM 32 CD GLU A 3 4.193 -32.436 7.598 1.00 0.00 C ATOM 33 OE1 GLU A 3 3.347 -33.081 7.001 1.00 0.00 O ATOM 34 OE2 GLU A 3 4.255 -32.352 8.814 1.00 0.00 O ATOM 0 H GLU A 3 4.555 -28.841 5.272 1.00 0.00 H new ATOM 0 HA GLU A 3 6.669 -30.677 5.048 1.00 0.00 H new ATOM 0 HB2 GLU A 3 3.740 -30.752 5.532 1.00 0.00 H new ATOM 0 HB3 GLU A 3 4.387 -32.237 4.864 1.00 0.00 H new ATOM 0 HG2 GLU A 3 6.130 -32.310 6.649 1.00 0.00 H new ATOM 0 HG3 GLU A 3 5.555 -30.786 7.296 1.00 0.00 H new ATOM 41 N MET A 4 4.934 -30.333 2.317 1.00 0.00 N ATOM 42 CA MET A 4 4.903 -30.727 0.882 1.00 0.00 C ATOM 43 C MET A 4 6.251 -30.383 0.248 1.00 0.00 C ATOM 44 O MET A 4 6.674 -30.993 -0.713 1.00 0.00 O ATOM 45 CB MET A 4 3.787 -29.964 0.164 1.00 0.00 C ATOM 46 CG MET A 4 2.429 -30.494 0.628 1.00 0.00 C ATOM 47 SD MET A 4 1.123 -29.813 -0.424 1.00 0.00 S ATOM 48 CE MET A 4 1.381 -28.070 -0.008 1.00 0.00 C ATOM 0 H MET A 4 4.339 -29.542 2.564 1.00 0.00 H new ATOM 0 HA MET A 4 4.715 -31.797 0.795 1.00 0.00 H new ATOM 0 HB2 MET A 4 3.865 -28.898 0.376 1.00 0.00 H new ATOM 0 HB3 MET A 4 3.887 -30.082 -0.915 1.00 0.00 H new ATOM 0 HG2 MET A 4 2.417 -31.583 0.582 1.00 0.00 H new ATOM 0 HG3 MET A 4 2.255 -30.217 1.668 1.00 0.00 H new ATOM 0 HE1 MET A 4 0.450 -27.643 0.365 1.00 0.00 H new ATOM 0 HE2 MET A 4 2.150 -27.989 0.760 1.00 0.00 H new ATOM 0 HE3 MET A 4 1.698 -27.527 -0.898 1.00 0.00 H new ATOM 58 N CYS A 5 6.930 -29.406 0.788 1.00 0.00 N ATOM 59 CA CYS A 5 8.254 -29.016 0.228 1.00 0.00 C ATOM 60 C CYS A 5 9.331 -29.969 0.753 1.00 0.00 C ATOM 61 O CYS A 5 10.417 -30.054 0.213 1.00 0.00 O ATOM 62 CB CYS A 5 8.585 -27.586 0.658 1.00 0.00 C ATOM 63 SG CYS A 5 7.196 -26.503 0.271 1.00 0.00 S ATOM 0 H CYS A 5 6.623 -28.861 1.594 1.00 0.00 H new ATOM 0 HA CYS A 5 8.220 -29.071 -0.860 1.00 0.00 H new ATOM 0 HB2 CYS A 5 8.796 -27.556 1.727 1.00 0.00 H new ATOM 0 HB3 CYS A 5 9.483 -27.240 0.146 1.00 0.00 H new ATOM 68 N LYS A 6 9.038 -30.688 1.801 1.00 0.00 N ATOM 69 CA LYS A 6 10.043 -31.635 2.360 1.00 0.00 C ATOM 70 C LYS A 6 10.047 -32.928 1.540 1.00 0.00 C ATOM 71 O LYS A 6 10.671 -33.901 1.909 1.00 0.00 O ATOM 72 CB LYS A 6 9.686 -31.962 3.811 1.00 0.00 C ATOM 73 CG LYS A 6 9.448 -30.666 4.586 1.00 0.00 C ATOM 74 CD LYS A 6 9.578 -30.941 6.086 1.00 0.00 C ATOM 75 CE LYS A 6 9.411 -29.634 6.864 1.00 0.00 C ATOM 76 NZ LYS A 6 9.253 -29.938 8.315 1.00 0.00 N ATOM 0 H LYS A 6 8.146 -30.661 2.295 1.00 0.00 H new ATOM 0 HA LYS A 6 11.030 -31.174 2.319 1.00 0.00 H new ATOM 0 HB2 LYS A 6 8.793 -32.587 3.844 1.00 0.00 H new ATOM 0 HB3 LYS A 6 10.491 -32.532 4.274 1.00 0.00 H new ATOM 0 HG2 LYS A 6 10.169 -29.908 4.280 1.00 0.00 H new ATOM 0 HG3 LYS A 6 8.457 -30.272 4.362 1.00 0.00 H new ATOM 0 HD2 LYS A 6 8.824 -31.662 6.400 1.00 0.00 H new ATOM 0 HD3 LYS A 6 10.551 -31.383 6.302 1.00 0.00 H new ATOM 0 HE2 LYS A 6 10.278 -28.992 6.708 1.00 0.00 H new ATOM 0 HE3 LYS A 6 8.541 -29.089 6.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 9.139 -29.051 8.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 8.413 -30.535 8.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 10.096 -30.441 8.658 1.00 0.00 H new ATOM 90 N ASP A 7 9.350 -32.955 0.438 1.00 0.00 N ATOM 91 CA ASP A 7 9.318 -34.198 -0.381 1.00 0.00 C ATOM 92 C ASP A 7 9.435 -33.855 -1.870 1.00 0.00 C ATOM 93 O ASP A 7 9.239 -34.697 -2.722 1.00 0.00 O ATOM 94 CB ASP A 7 8.003 -34.936 -0.130 1.00 0.00 C ATOM 95 CG ASP A 7 7.984 -35.473 1.303 1.00 0.00 C ATOM 96 OD1 ASP A 7 9.051 -35.589 1.884 1.00 0.00 O ATOM 97 OD2 ASP A 7 6.905 -35.760 1.793 1.00 0.00 O ATOM 0 H ASP A 7 8.804 -32.175 0.071 1.00 0.00 H new ATOM 0 HA ASP A 7 10.158 -34.832 -0.097 1.00 0.00 H new ATOM 0 HB2 ASP A 7 7.160 -34.263 -0.289 1.00 0.00 H new ATOM 0 HB3 ASP A 7 7.893 -35.757 -0.839 1.00 0.00 H new ATOM 102 N TYR A 8 9.754 -32.631 -2.197 1.00 0.00 N ATOM 103 CA TYR A 8 9.880 -32.267 -3.637 1.00 0.00 C ATOM 104 C TYR A 8 11.295 -31.740 -3.912 1.00 0.00 C ATOM 105 O TYR A 8 11.937 -31.179 -3.048 1.00 0.00 O ATOM 106 CB TYR A 8 8.823 -31.205 -4.000 1.00 0.00 C ATOM 107 CG TYR A 8 9.387 -29.808 -3.849 1.00 0.00 C ATOM 108 CD1 TYR A 8 9.744 -29.329 -2.585 1.00 0.00 C ATOM 109 CD2 TYR A 8 9.553 -28.996 -4.978 1.00 0.00 C ATOM 110 CE1 TYR A 8 10.266 -28.038 -2.447 1.00 0.00 C ATOM 111 CE2 TYR A 8 10.074 -27.705 -4.841 1.00 0.00 C ATOM 112 CZ TYR A 8 10.431 -27.225 -3.575 1.00 0.00 C ATOM 113 OH TYR A 8 10.944 -25.952 -3.440 1.00 0.00 O ATOM 0 H TYR A 8 9.931 -31.875 -1.536 1.00 0.00 H new ATOM 0 HA TYR A 8 9.710 -33.149 -4.254 1.00 0.00 H new ATOM 0 HB2 TYR A 8 8.486 -31.357 -5.026 1.00 0.00 H new ATOM 0 HB3 TYR A 8 7.950 -31.321 -3.358 1.00 0.00 H new ATOM 0 HD1 TYR A 8 9.617 -29.956 -1.715 1.00 0.00 H new ATOM 0 HD2 TYR A 8 9.279 -29.367 -5.955 1.00 0.00 H new ATOM 0 HE1 TYR A 8 10.542 -27.669 -1.470 1.00 0.00 H new ATOM 0 HE2 TYR A 8 10.201 -27.079 -5.712 1.00 0.00 H new ATOM 0 HH TYR A 8 11.097 -25.565 -4.327 1.00 0.00 H new ATOM 123 N ARG A 9 11.776 -31.914 -5.111 1.00 0.00 N ATOM 124 CA ARG A 9 13.142 -31.421 -5.446 1.00 0.00 C ATOM 125 C ARG A 9 13.089 -30.646 -6.764 1.00 0.00 C ATOM 126 O ARG A 9 12.477 -31.074 -7.722 1.00 0.00 O ATOM 127 CB ARG A 9 14.097 -32.611 -5.585 1.00 0.00 C ATOM 128 CG ARG A 9 14.486 -33.116 -4.193 1.00 0.00 C ATOM 129 CD ARG A 9 15.506 -34.250 -4.324 1.00 0.00 C ATOM 130 NE ARG A 9 15.531 -35.046 -3.063 1.00 0.00 N ATOM 131 CZ ARG A 9 15.647 -36.345 -3.112 1.00 0.00 C ATOM 132 NH1 ARG A 9 14.707 -37.103 -2.615 1.00 0.00 N ATOM 133 NH2 ARG A 9 16.702 -36.888 -3.655 1.00 0.00 N ATOM 0 H ARG A 9 11.282 -32.377 -5.874 1.00 0.00 H new ATOM 0 HA ARG A 9 13.500 -30.765 -4.652 1.00 0.00 H new ATOM 0 HB2 ARG A 9 13.620 -33.410 -6.154 1.00 0.00 H new ATOM 0 HB3 ARG A 9 14.988 -32.314 -6.138 1.00 0.00 H new ATOM 0 HG2 ARG A 9 14.907 -32.301 -3.604 1.00 0.00 H new ATOM 0 HG3 ARG A 9 13.601 -33.469 -3.663 1.00 0.00 H new ATOM 0 HD2 ARG A 9 15.246 -34.891 -5.166 1.00 0.00 H new ATOM 0 HD3 ARG A 9 16.496 -33.841 -4.528 1.00 0.00 H new ATOM 0 HE ARG A 9 15.457 -34.575 -2.161 1.00 0.00 H new ATOM 0 HH11 ARG A 9 13.883 -36.680 -2.189 1.00 0.00 H new ATOM 0 HH12 ARG A 9 14.797 -38.118 -2.653 1.00 0.00 H new ATOM 0 HH21 ARG A 9 17.438 -36.297 -4.042 1.00 0.00 H new ATOM 0 HH22 ARG A 9 16.791 -37.903 -3.692 1.00 0.00 H new ATOM 147 N VAL A 10 13.722 -29.505 -6.820 1.00 0.00 N ATOM 148 CA VAL A 10 13.697 -28.705 -8.076 1.00 0.00 C ATOM 149 C VAL A 10 15.127 -28.417 -8.536 1.00 0.00 C ATOM 150 O VAL A 10 16.035 -28.291 -7.738 1.00 0.00 O ATOM 151 CB VAL A 10 12.968 -27.385 -7.822 1.00 0.00 C ATOM 152 CG1 VAL A 10 13.132 -26.471 -9.040 1.00 0.00 C ATOM 153 CG2 VAL A 10 11.482 -27.659 -7.587 1.00 0.00 C ATOM 0 H VAL A 10 14.253 -29.094 -6.052 1.00 0.00 H new ATOM 0 HA VAL A 10 13.177 -29.268 -8.851 1.00 0.00 H new ATOM 0 HB VAL A 10 13.391 -26.900 -6.942 1.00 0.00 H new ATOM 0 HG11 VAL A 10 12.613 -25.529 -8.861 1.00 0.00 H new ATOM 0 HG12 VAL A 10 14.191 -26.275 -9.208 1.00 0.00 H new ATOM 0 HG13 VAL A 10 12.709 -26.957 -9.919 1.00 0.00 H new ATOM 0 HG21 VAL A 10 10.963 -26.718 -7.406 1.00 0.00 H new ATOM 0 HG22 VAL A 10 11.058 -28.144 -8.466 1.00 0.00 H new ATOM 0 HG23 VAL A 10 11.365 -28.311 -6.721 1.00 0.00 H new ATOM 163 N LEU A 11 15.330 -28.310 -9.820 1.00 0.00 N ATOM 164 CA LEU A 11 16.696 -28.027 -10.341 1.00 0.00 C ATOM 165 C LEU A 11 16.630 -26.853 -11.320 1.00 0.00 C ATOM 166 O LEU A 11 15.565 -26.358 -11.633 1.00 0.00 O ATOM 167 CB LEU A 11 17.230 -29.267 -11.060 1.00 0.00 C ATOM 168 CG LEU A 11 18.408 -29.842 -10.271 1.00 0.00 C ATOM 169 CD1 LEU A 11 17.882 -30.567 -9.030 1.00 0.00 C ATOM 170 CD2 LEU A 11 19.183 -30.826 -11.149 1.00 0.00 C ATOM 0 H LEU A 11 14.606 -28.407 -10.532 1.00 0.00 H new ATOM 0 HA LEU A 11 17.360 -27.773 -9.515 1.00 0.00 H new ATOM 0 HB2 LEU A 11 16.442 -30.014 -11.155 1.00 0.00 H new ATOM 0 HB3 LEU A 11 17.546 -29.008 -12.070 1.00 0.00 H new ATOM 0 HG LEU A 11 19.071 -29.032 -9.966 1.00 0.00 H new ATOM 0 HD11 LEU A 11 18.720 -30.978 -8.466 1.00 0.00 H new ATOM 0 HD12 LEU A 11 17.333 -29.864 -8.404 1.00 0.00 H new ATOM 0 HD13 LEU A 11 17.219 -31.376 -9.335 1.00 0.00 H new ATOM 0 HD21 LEU A 11 20.022 -31.234 -10.585 1.00 0.00 H new ATOM 0 HD22 LEU A 11 18.523 -31.637 -11.456 1.00 0.00 H new ATOM 0 HD23 LEU A 11 19.557 -30.309 -12.032 1.00 0.00 H new ATOM 182 N PRO A 12 17.792 -26.399 -11.812 1.00 0.00 N ATOM 183 CA PRO A 12 17.868 -25.278 -12.759 1.00 0.00 C ATOM 184 C PRO A 12 17.246 -25.634 -14.112 1.00 0.00 C ATOM 185 O PRO A 12 16.858 -24.772 -14.875 1.00 0.00 O ATOM 186 CB PRO A 12 19.371 -25.044 -12.914 1.00 0.00 C ATOM 187 CG PRO A 12 19.989 -26.354 -12.568 1.00 0.00 C ATOM 188 CD PRO A 12 19.123 -26.941 -11.491 1.00 0.00 C ATOM 0 HA PRO A 12 17.323 -24.403 -12.405 1.00 0.00 H new ATOM 0 HB2 PRO A 12 19.623 -24.742 -13.931 1.00 0.00 H new ATOM 0 HB3 PRO A 12 19.720 -24.253 -12.251 1.00 0.00 H new ATOM 0 HG2 PRO A 12 20.030 -27.009 -13.438 1.00 0.00 H new ATOM 0 HG3 PRO A 12 21.013 -26.223 -12.219 1.00 0.00 H new ATOM 0 HD2 PRO A 12 19.132 -28.031 -11.513 1.00 0.00 H new ATOM 0 HD3 PRO A 12 19.454 -26.640 -10.497 1.00 0.00 H new ATOM 196 N ARG A 13 17.149 -26.898 -14.411 1.00 0.00 N ATOM 197 CA ARG A 13 16.552 -27.316 -15.712 1.00 0.00 C ATOM 198 C ARG A 13 15.128 -27.830 -15.480 1.00 0.00 C ATOM 199 O ARG A 13 14.282 -27.752 -16.347 1.00 0.00 O ATOM 200 CB ARG A 13 17.400 -28.429 -16.325 1.00 0.00 C ATOM 201 CG ARG A 13 18.756 -27.863 -16.749 1.00 0.00 C ATOM 202 CD ARG A 13 19.606 -28.981 -17.351 1.00 0.00 C ATOM 203 NE ARG A 13 19.052 -29.365 -18.680 1.00 0.00 N ATOM 204 CZ ARG A 13 19.758 -29.173 -19.761 1.00 0.00 C ATOM 205 NH1 ARG A 13 20.315 -28.014 -19.980 1.00 0.00 N ATOM 206 NH2 ARG A 13 19.906 -30.142 -20.624 1.00 0.00 N ATOM 0 H ARG A 13 17.458 -27.663 -13.810 1.00 0.00 H new ATOM 0 HA ARG A 13 16.524 -26.463 -16.390 1.00 0.00 H new ATOM 0 HB2 ARG A 13 17.540 -29.234 -15.603 1.00 0.00 H new ATOM 0 HB3 ARG A 13 16.888 -28.858 -17.186 1.00 0.00 H new ATOM 0 HG2 ARG A 13 18.617 -27.064 -17.477 1.00 0.00 H new ATOM 0 HG3 ARG A 13 19.265 -27.426 -15.890 1.00 0.00 H new ATOM 0 HD2 ARG A 13 20.639 -28.650 -17.458 1.00 0.00 H new ATOM 0 HD3 ARG A 13 19.615 -29.844 -16.686 1.00 0.00 H new ATOM 0 HE ARG A 13 18.121 -29.778 -18.745 1.00 0.00 H new ATOM 0 HH11 ARG A 13 20.199 -27.257 -19.306 1.00 0.00 H new ATOM 0 HH12 ARG A 13 20.867 -27.865 -20.825 1.00 0.00 H new ATOM 0 HH21 ARG A 13 19.470 -31.048 -20.453 1.00 0.00 H new ATOM 0 HH22 ARG A 13 20.458 -29.993 -21.469 1.00 0.00 H new ATOM 220 N ILE A 14 14.860 -28.357 -14.317 1.00 0.00 N ATOM 221 CA ILE A 14 13.491 -28.877 -14.033 1.00 0.00 C ATOM 222 C ILE A 14 12.576 -27.718 -13.633 1.00 0.00 C ATOM 223 O ILE A 14 11.469 -27.592 -14.118 1.00 0.00 O ATOM 224 CB ILE A 14 13.556 -29.893 -12.889 1.00 0.00 C ATOM 225 CG1 ILE A 14 14.393 -31.098 -13.321 1.00 0.00 C ATOM 226 CG2 ILE A 14 12.140 -30.358 -12.542 1.00 0.00 C ATOM 227 CD1 ILE A 14 14.740 -31.943 -12.093 1.00 0.00 C ATOM 0 H ILE A 14 15.528 -28.450 -13.552 1.00 0.00 H new ATOM 0 HA ILE A 14 13.096 -29.360 -14.926 1.00 0.00 H new ATOM 0 HB ILE A 14 14.013 -29.427 -12.016 1.00 0.00 H new ATOM 0 HG12 ILE A 14 13.841 -31.698 -14.044 1.00 0.00 H new ATOM 0 HG13 ILE A 14 15.305 -30.763 -13.815 1.00 0.00 H new ATOM 0 HG21 ILE A 14 12.184 -31.081 -11.728 1.00 0.00 H new ATOM 0 HG22 ILE A 14 11.541 -29.501 -12.234 1.00 0.00 H new ATOM 0 HG23 ILE A 14 11.685 -30.823 -13.417 1.00 0.00 H new ATOM 0 HD11 ILE A 14 15.337 -32.802 -12.399 1.00 0.00 H new ATOM 0 HD12 ILE A 14 15.309 -31.340 -11.385 1.00 0.00 H new ATOM 0 HD13 ILE A 14 13.822 -32.289 -11.618 1.00 0.00 H new ATOM 239 N GLY A 15 13.028 -26.870 -12.750 1.00 0.00 N ATOM 240 CA GLY A 15 12.184 -25.719 -12.318 1.00 0.00 C ATOM 241 C GLY A 15 11.148 -26.203 -11.300 1.00 0.00 C ATOM 242 O GLY A 15 11.246 -27.293 -10.773 1.00 0.00 O ATOM 0 H GLY A 15 13.946 -26.924 -12.309 1.00 0.00 H new ATOM 0 HA2 GLY A 15 12.808 -24.941 -11.877 1.00 0.00 H new ATOM 0 HA3 GLY A 15 11.684 -25.276 -13.180 1.00 0.00 H new ATOM 246 N TYR A 16 10.158 -25.402 -11.017 1.00 0.00 N ATOM 247 CA TYR A 16 9.121 -25.823 -10.033 1.00 0.00 C ATOM 248 C TYR A 16 7.911 -26.388 -10.777 1.00 0.00 C ATOM 249 O TYR A 16 7.623 -26.008 -11.895 1.00 0.00 O ATOM 250 CB TYR A 16 8.688 -24.618 -9.196 1.00 0.00 C ATOM 251 CG TYR A 16 8.389 -25.074 -7.788 1.00 0.00 C ATOM 252 CD1 TYR A 16 7.278 -25.887 -7.540 1.00 0.00 C ATOM 253 CD2 TYR A 16 9.224 -24.688 -6.732 1.00 0.00 C ATOM 254 CE1 TYR A 16 7.000 -26.316 -6.236 1.00 0.00 C ATOM 255 CE2 TYR A 16 8.946 -25.118 -5.428 1.00 0.00 C ATOM 256 CZ TYR A 16 7.834 -25.932 -5.180 1.00 0.00 C ATOM 257 OH TYR A 16 7.562 -26.356 -3.896 1.00 0.00 O ATOM 0 H TYR A 16 10.022 -24.476 -11.423 1.00 0.00 H new ATOM 0 HA TYR A 16 9.535 -26.589 -9.377 1.00 0.00 H new ATOM 0 HB2 TYR A 16 9.475 -23.864 -9.188 1.00 0.00 H new ATOM 0 HB3 TYR A 16 7.806 -24.153 -9.636 1.00 0.00 H new ATOM 0 HD1 TYR A 16 6.634 -26.184 -8.355 1.00 0.00 H new ATOM 0 HD2 TYR A 16 10.081 -24.060 -6.923 1.00 0.00 H new ATOM 0 HE1 TYR A 16 6.142 -26.943 -6.045 1.00 0.00 H new ATOM 0 HE2 TYR A 16 9.590 -24.821 -4.613 1.00 0.00 H new ATOM 0 HH TYR A 16 8.290 -26.081 -3.300 1.00 0.00 H new ATOM 267 N LEU A 17 7.200 -27.298 -10.167 1.00 0.00 N ATOM 268 CA LEU A 17 6.009 -27.890 -10.841 1.00 0.00 C ATOM 269 C LEU A 17 4.755 -27.618 -10.005 1.00 0.00 C ATOM 270 O LEU A 17 4.628 -28.081 -8.890 1.00 0.00 O ATOM 271 CB LEU A 17 6.209 -29.401 -10.988 1.00 0.00 C ATOM 272 CG LEU A 17 4.978 -30.019 -11.656 1.00 0.00 C ATOM 273 CD1 LEU A 17 5.026 -29.751 -13.162 1.00 0.00 C ATOM 274 CD2 LEU A 17 4.968 -31.528 -11.409 1.00 0.00 C ATOM 0 H LEU A 17 7.392 -27.657 -9.232 1.00 0.00 H new ATOM 0 HA LEU A 17 5.888 -27.440 -11.826 1.00 0.00 H new ATOM 0 HB2 LEU A 17 7.099 -29.604 -11.584 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.370 -29.854 -10.010 1.00 0.00 H new ATOM 0 HG LEU A 17 4.076 -29.575 -11.236 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.150 -30.191 -13.638 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.034 -28.676 -13.340 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.928 -30.195 -13.582 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.092 -31.969 -11.884 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.871 -31.972 -11.830 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.935 -31.721 -10.337 1.00 0.00 H new ATOM 286 N CYS A 18 3.827 -26.871 -10.538 1.00 0.00 N ATOM 287 CA CYS A 18 2.580 -26.570 -9.781 1.00 0.00 C ATOM 288 C CYS A 18 1.369 -26.925 -10.645 1.00 0.00 C ATOM 289 O CYS A 18 1.456 -26.983 -11.856 1.00 0.00 O ATOM 290 CB CYS A 18 2.538 -25.081 -9.432 1.00 0.00 C ATOM 291 SG CYS A 18 3.987 -24.659 -8.435 1.00 0.00 S ATOM 0 H CYS A 18 3.879 -26.455 -11.468 1.00 0.00 H new ATOM 0 HA CYS A 18 2.561 -27.156 -8.862 1.00 0.00 H new ATOM 0 HB2 CYS A 18 2.522 -24.483 -10.343 1.00 0.00 H new ATOM 0 HB3 CYS A 18 1.625 -24.850 -8.883 1.00 0.00 H new ATOM 296 N PRO A 19 0.217 -27.167 -10.006 1.00 0.00 N ATOM 297 CA PRO A 19 -1.018 -27.517 -10.714 1.00 0.00 C ATOM 298 C PRO A 19 -1.592 -26.320 -11.475 1.00 0.00 C ATOM 299 O PRO A 19 -1.191 -25.192 -11.270 1.00 0.00 O ATOM 300 CB PRO A 19 -1.970 -27.931 -9.593 1.00 0.00 C ATOM 301 CG PRO A 19 -1.460 -27.223 -8.383 1.00 0.00 C ATOM 302 CD PRO A 19 0.030 -27.114 -8.547 1.00 0.00 C ATOM 0 HA PRO A 19 -0.856 -28.295 -11.460 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -2.996 -27.642 -9.818 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -1.968 -29.012 -9.450 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -1.913 -26.236 -8.292 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -1.711 -27.774 -7.477 1.00 0.00 H new ATOM 0 HD2 PRO A 19 0.414 -26.185 -8.126 1.00 0.00 H new ATOM 0 HD3 PRO A 19 0.550 -27.930 -8.045 1.00 0.00 H new ATOM 310 N LYS A 20 -2.525 -26.556 -12.354 1.00 0.00 N ATOM 311 CA LYS A 20 -3.120 -25.429 -13.125 1.00 0.00 C ATOM 312 C LYS A 20 -4.299 -24.844 -12.347 1.00 0.00 C ATOM 313 O LYS A 20 -4.775 -23.766 -12.640 1.00 0.00 O ATOM 314 CB LYS A 20 -3.601 -25.938 -14.486 1.00 0.00 C ATOM 315 CG LYS A 20 -2.399 -26.412 -15.304 1.00 0.00 C ATOM 316 CD LYS A 20 -2.856 -26.793 -16.713 1.00 0.00 C ATOM 317 CE LYS A 20 -1.653 -27.270 -17.528 1.00 0.00 C ATOM 318 NZ LYS A 20 -1.410 -28.714 -17.258 1.00 0.00 N ATOM 0 H LYS A 20 -2.901 -27.479 -12.572 1.00 0.00 H new ATOM 0 HA LYS A 20 -2.368 -24.654 -13.276 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -4.309 -26.756 -14.351 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -4.127 -25.145 -15.018 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -1.647 -25.624 -15.355 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -1.931 -27.268 -14.819 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -3.609 -27.579 -16.662 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -3.322 -25.936 -17.200 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -1.836 -27.114 -18.591 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -0.770 -26.687 -17.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -0.592 -29.038 -17.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -1.218 -28.850 -16.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.251 -29.264 -17.528 1.00 0.00 H new ATOM 332 N ASP A 21 -4.774 -25.546 -11.353 1.00 0.00 N ATOM 333 CA ASP A 21 -5.918 -25.025 -10.556 1.00 0.00 C ATOM 334 C ASP A 21 -5.438 -23.861 -9.686 1.00 0.00 C ATOM 335 O ASP A 21 -4.567 -24.014 -8.854 1.00 0.00 O ATOM 336 CB ASP A 21 -6.470 -26.138 -9.661 1.00 0.00 C ATOM 337 CG ASP A 21 -7.803 -25.691 -9.058 1.00 0.00 C ATOM 338 OD1 ASP A 21 -8.246 -24.604 -9.390 1.00 0.00 O ATOM 339 OD2 ASP A 21 -8.357 -26.444 -8.274 1.00 0.00 O ATOM 0 H ASP A 21 -4.419 -26.456 -11.060 1.00 0.00 H new ATOM 0 HA ASP A 21 -6.704 -24.681 -11.228 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -6.608 -27.051 -10.240 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -5.759 -26.369 -8.868 1.00 0.00 H new ATOM 344 N LEU A 22 -5.995 -22.697 -9.877 1.00 0.00 N ATOM 345 CA LEU A 22 -5.564 -21.525 -9.065 1.00 0.00 C ATOM 346 C LEU A 22 -6.302 -21.525 -7.725 1.00 0.00 C ATOM 347 O LEU A 22 -7.508 -21.394 -7.668 1.00 0.00 O ATOM 348 CB LEU A 22 -5.886 -20.234 -9.820 1.00 0.00 C ATOM 349 CG LEU A 22 -5.458 -19.032 -8.974 1.00 0.00 C ATOM 350 CD1 LEU A 22 -3.978 -19.167 -8.608 1.00 0.00 C ATOM 351 CD2 LEU A 22 -5.670 -17.743 -9.772 1.00 0.00 C ATOM 0 H LEU A 22 -6.729 -22.507 -10.559 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.490 -21.587 -8.887 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -5.368 -20.221 -10.779 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -6.954 -20.181 -10.034 1.00 0.00 H new ATOM 0 HG LEU A 22 -6.057 -18.998 -8.064 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.673 -18.311 -8.006 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.826 -20.084 -8.039 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -3.380 -19.202 -9.518 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -5.365 -16.888 -9.169 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -5.072 -17.777 -10.683 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -6.724 -17.646 -10.033 1.00 0.00 H new ATOM 363 N LYS A 23 -5.584 -21.664 -6.645 1.00 0.00 N ATOM 364 CA LYS A 23 -6.241 -21.663 -5.307 1.00 0.00 C ATOM 365 C LYS A 23 -5.516 -20.674 -4.395 1.00 0.00 C ATOM 366 O LYS A 23 -4.425 -20.932 -3.930 1.00 0.00 O ATOM 367 CB LYS A 23 -6.177 -23.065 -4.701 1.00 0.00 C ATOM 368 CG LYS A 23 -7.346 -23.898 -5.226 1.00 0.00 C ATOM 369 CD LYS A 23 -8.346 -24.145 -4.096 1.00 0.00 C ATOM 370 CE LYS A 23 -9.021 -25.502 -4.298 1.00 0.00 C ATOM 371 NZ LYS A 23 -8.964 -26.281 -3.029 1.00 0.00 N ATOM 0 H LYS A 23 -4.571 -21.778 -6.631 1.00 0.00 H new ATOM 0 HA LYS A 23 -7.285 -21.368 -5.411 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -5.231 -23.542 -4.959 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -6.218 -23.005 -3.613 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -7.834 -23.379 -6.051 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -6.982 -24.848 -5.618 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -7.836 -24.121 -3.133 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -9.095 -23.353 -4.080 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -10.058 -25.362 -4.605 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -8.524 -26.052 -5.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -9.423 -27.204 -3.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -7.971 -26.426 -2.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -9.458 -25.758 -2.278 1.00 0.00 H new ATOM 385 N PRO A 24 -6.141 -19.513 -4.147 1.00 0.00 N ATOM 386 CA PRO A 24 -5.563 -18.458 -3.300 1.00 0.00 C ATOM 387 C PRO A 24 -5.416 -18.899 -1.845 1.00 0.00 C ATOM 388 O PRO A 24 -6.378 -19.232 -1.186 1.00 0.00 O ATOM 389 CB PRO A 24 -6.585 -17.324 -3.403 1.00 0.00 C ATOM 390 CG PRO A 24 -7.860 -18.007 -3.756 1.00 0.00 C ATOM 391 CD PRO A 24 -7.469 -19.138 -4.662 1.00 0.00 C ATOM 0 HA PRO A 24 -4.559 -18.182 -3.622 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -6.672 -16.781 -2.462 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -6.299 -16.599 -4.164 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -8.368 -18.375 -2.865 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -8.547 -17.323 -4.255 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -8.175 -19.966 -4.605 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -7.427 -18.826 -5.706 1.00 0.00 H new ATOM 399 N VAL A 25 -4.214 -18.905 -1.335 1.00 0.00 N ATOM 400 CA VAL A 25 -4.015 -19.322 0.081 1.00 0.00 C ATOM 401 C VAL A 25 -3.444 -18.158 0.890 1.00 0.00 C ATOM 402 O VAL A 25 -2.792 -17.280 0.361 1.00 0.00 O ATOM 403 CB VAL A 25 -3.037 -20.497 0.144 1.00 0.00 C ATOM 404 CG1 VAL A 25 -3.566 -21.657 -0.698 1.00 0.00 C ATOM 405 CG2 VAL A 25 -1.675 -20.053 -0.395 1.00 0.00 C ATOM 0 H VAL A 25 -3.366 -18.640 -1.835 1.00 0.00 H new ATOM 0 HA VAL A 25 -4.977 -19.621 0.497 1.00 0.00 H new ATOM 0 HB VAL A 25 -2.932 -20.824 1.178 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -2.866 -22.491 -0.649 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -4.535 -21.974 -0.313 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.675 -21.335 -1.734 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -0.976 -20.889 -0.351 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -1.782 -19.724 -1.429 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -1.295 -19.230 0.210 1.00 0.00 H new ATOM 415 N CYS A 26 -3.671 -18.154 2.175 1.00 0.00 N ATOM 416 CA CYS A 26 -3.128 -17.058 3.025 1.00 0.00 C ATOM 417 C CYS A 26 -1.805 -17.520 3.637 1.00 0.00 C ATOM 418 O CYS A 26 -1.728 -18.571 4.235 1.00 0.00 O ATOM 419 CB CYS A 26 -4.119 -16.729 4.147 1.00 0.00 C ATOM 420 SG CYS A 26 -3.352 -15.565 5.301 1.00 0.00 S ATOM 0 H CYS A 26 -4.209 -18.863 2.673 1.00 0.00 H new ATOM 0 HA CYS A 26 -2.970 -16.167 2.417 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -5.029 -16.298 3.729 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -4.409 -17.640 4.670 1.00 0.00 H new ATOM 425 N GLY A 27 -0.764 -16.752 3.490 1.00 0.00 N ATOM 426 CA GLY A 27 0.551 -17.158 4.065 1.00 0.00 C ATOM 427 C GLY A 27 0.603 -16.768 5.544 1.00 0.00 C ATOM 428 O GLY A 27 0.188 -15.694 5.928 1.00 0.00 O ATOM 0 H GLY A 27 -0.765 -15.859 2.996 1.00 0.00 H new ATOM 0 HA2 GLY A 27 0.691 -18.233 3.956 1.00 0.00 H new ATOM 0 HA3 GLY A 27 1.363 -16.674 3.522 1.00 0.00 H new ATOM 432 N ASP A 28 1.112 -17.634 6.377 1.00 0.00 N ATOM 433 CA ASP A 28 1.191 -17.315 7.832 1.00 0.00 C ATOM 434 C ASP A 28 2.198 -16.186 8.054 1.00 0.00 C ATOM 435 O ASP A 28 2.318 -15.652 9.139 1.00 0.00 O ATOM 436 CB ASP A 28 1.639 -18.557 8.604 1.00 0.00 C ATOM 437 CG ASP A 28 2.993 -19.027 8.070 1.00 0.00 C ATOM 438 OD1 ASP A 28 3.564 -18.319 7.256 1.00 0.00 O ATOM 439 OD2 ASP A 28 3.435 -20.085 8.483 1.00 0.00 O ATOM 0 H ASP A 28 1.477 -18.549 6.113 1.00 0.00 H new ATOM 0 HA ASP A 28 0.210 -17.001 8.187 1.00 0.00 H new ATOM 0 HB2 ASP A 28 1.714 -18.330 9.667 1.00 0.00 H new ATOM 0 HB3 ASP A 28 0.899 -19.350 8.499 1.00 0.00 H new ATOM 444 N ASP A 29 2.924 -15.815 7.036 1.00 0.00 N ATOM 445 CA ASP A 29 3.921 -14.720 7.192 1.00 0.00 C ATOM 446 C ASP A 29 3.229 -13.370 6.988 1.00 0.00 C ATOM 447 O ASP A 29 3.867 -12.337 6.935 1.00 0.00 O ATOM 448 CB ASP A 29 5.028 -14.888 6.151 1.00 0.00 C ATOM 449 CG ASP A 29 4.416 -14.872 4.749 1.00 0.00 C ATOM 450 OD1 ASP A 29 3.218 -14.665 4.651 1.00 0.00 O ATOM 451 OD2 ASP A 29 5.155 -15.067 3.798 1.00 0.00 O ATOM 0 H ASP A 29 2.870 -16.223 6.103 1.00 0.00 H new ATOM 0 HA ASP A 29 4.353 -14.760 8.192 1.00 0.00 H new ATOM 0 HB2 ASP A 29 5.759 -14.086 6.249 1.00 0.00 H new ATOM 0 HB3 ASP A 29 5.559 -15.825 6.317 1.00 0.00 H new ATOM 456 N GLY A 30 1.929 -13.370 6.871 1.00 0.00 N ATOM 457 CA GLY A 30 1.199 -12.088 6.667 1.00 0.00 C ATOM 458 C GLY A 30 1.089 -11.800 5.170 1.00 0.00 C ATOM 459 O GLY A 30 0.800 -10.693 4.759 1.00 0.00 O ATOM 0 H GLY A 30 1.341 -14.203 6.908 1.00 0.00 H new ATOM 0 HA2 GLY A 30 0.205 -12.148 7.111 1.00 0.00 H new ATOM 0 HA3 GLY A 30 1.724 -11.274 7.168 1.00 0.00 H new ATOM 463 N GLN A 31 1.318 -12.788 4.350 1.00 0.00 N ATOM 464 CA GLN A 31 1.227 -12.572 2.879 1.00 0.00 C ATOM 465 C GLN A 31 0.214 -13.550 2.279 1.00 0.00 C ATOM 466 O GLN A 31 -0.289 -14.426 2.953 1.00 0.00 O ATOM 467 CB GLN A 31 2.598 -12.806 2.242 1.00 0.00 C ATOM 468 CG GLN A 31 3.561 -11.702 2.682 1.00 0.00 C ATOM 469 CD GLN A 31 4.977 -12.043 2.211 1.00 0.00 C ATOM 470 OE1 GLN A 31 5.227 -13.133 1.738 1.00 0.00 O ATOM 471 NE2 GLN A 31 5.920 -11.148 2.321 1.00 0.00 N ATOM 0 H GLN A 31 1.564 -13.736 4.635 1.00 0.00 H new ATOM 0 HA GLN A 31 0.904 -11.549 2.683 1.00 0.00 H new ATOM 0 HB2 GLN A 31 2.986 -13.781 2.537 1.00 0.00 H new ATOM 0 HB3 GLN A 31 2.509 -12.814 1.156 1.00 0.00 H new ATOM 0 HG2 GLN A 31 3.248 -10.745 2.265 1.00 0.00 H new ATOM 0 HG3 GLN A 31 3.542 -11.599 3.767 1.00 0.00 H new ATOM 0 HE21 GLN A 31 5.710 -10.232 2.718 1.00 0.00 H new ATOM 0 HE22 GLN A 31 6.867 -11.364 2.010 1.00 0.00 H new ATOM 480 N THR A 32 -0.084 -13.408 1.018 1.00 0.00 N ATOM 481 CA THR A 32 -1.061 -14.329 0.373 1.00 0.00 C ATOM 482 C THR A 32 -0.491 -14.817 -0.957 1.00 0.00 C ATOM 483 O THR A 32 0.048 -14.052 -1.731 1.00 0.00 O ATOM 484 CB THR A 32 -2.375 -13.587 0.122 1.00 0.00 C ATOM 485 OG1 THR A 32 -2.801 -12.961 1.325 1.00 0.00 O ATOM 486 CG2 THR A 32 -3.440 -14.582 -0.344 1.00 0.00 C ATOM 0 H THR A 32 0.307 -12.693 0.405 1.00 0.00 H new ATOM 0 HA THR A 32 -1.246 -15.181 1.027 1.00 0.00 H new ATOM 0 HB THR A 32 -2.226 -12.829 -0.647 1.00 0.00 H new ATOM 0 HG1 THR A 32 -3.548 -12.357 1.133 1.00 0.00 H new ATOM 0 HG21 THR A 32 -4.377 -14.055 -0.523 1.00 0.00 H new ATOM 0 HG22 THR A 32 -3.111 -15.062 -1.266 1.00 0.00 H new ATOM 0 HG23 THR A 32 -3.591 -15.340 0.425 1.00 0.00 H new ATOM 494 N TYR A 33 -0.602 -16.088 -1.230 1.00 0.00 N ATOM 495 CA TYR A 33 -0.063 -16.622 -2.510 1.00 0.00 C ATOM 496 C TYR A 33 -1.221 -17.082 -3.395 1.00 0.00 C ATOM 497 O TYR A 33 -2.093 -17.809 -2.963 1.00 0.00 O ATOM 498 CB TYR A 33 0.864 -17.801 -2.214 1.00 0.00 C ATOM 499 CG TYR A 33 1.959 -17.347 -1.280 1.00 0.00 C ATOM 500 CD1 TYR A 33 1.686 -17.161 0.080 1.00 0.00 C ATOM 501 CD2 TYR A 33 3.247 -17.108 -1.774 1.00 0.00 C ATOM 502 CE1 TYR A 33 2.700 -16.736 0.946 1.00 0.00 C ATOM 503 CE2 TYR A 33 4.262 -16.684 -0.907 1.00 0.00 C ATOM 504 CZ TYR A 33 3.988 -16.498 0.453 1.00 0.00 C ATOM 505 OH TYR A 33 4.989 -16.081 1.306 1.00 0.00 O ATOM 0 H TYR A 33 -1.042 -16.778 -0.622 1.00 0.00 H new ATOM 0 HA TYR A 33 0.497 -15.844 -3.028 1.00 0.00 H new ATOM 0 HB2 TYR A 33 0.301 -18.618 -1.764 1.00 0.00 H new ATOM 0 HB3 TYR A 33 1.294 -18.183 -3.140 1.00 0.00 H new ATOM 0 HD1 TYR A 33 0.693 -17.345 0.461 1.00 0.00 H new ATOM 0 HD2 TYR A 33 3.458 -17.251 -2.824 1.00 0.00 H new ATOM 0 HE1 TYR A 33 2.488 -16.592 1.995 1.00 0.00 H new ATOM 0 HE2 TYR A 33 5.256 -16.501 -1.288 1.00 0.00 H new ATOM 0 HH TYR A 33 4.593 -15.758 2.142 1.00 0.00 H new ATOM 515 N ASN A 34 -1.240 -16.659 -4.629 1.00 0.00 N ATOM 516 CA ASN A 34 -2.348 -17.069 -5.534 1.00 0.00 C ATOM 517 C ASN A 34 -2.468 -18.594 -5.545 1.00 0.00 C ATOM 518 O ASN A 34 -3.327 -19.158 -4.906 1.00 0.00 O ATOM 519 CB ASN A 34 -2.075 -16.552 -6.950 1.00 0.00 C ATOM 520 CG ASN A 34 -1.534 -15.125 -6.874 1.00 0.00 C ATOM 521 OD1 ASN A 34 -2.030 -14.312 -6.120 1.00 0.00 O ATOM 522 ND2 ASN A 34 -0.526 -14.784 -7.628 1.00 0.00 N ATOM 0 H ASN A 34 -0.538 -16.049 -5.048 1.00 0.00 H new ATOM 0 HA ASN A 34 -3.285 -16.643 -5.175 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -1.356 -17.199 -7.453 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -2.991 -16.574 -7.540 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -0.155 -13.835 -7.584 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -0.109 -15.466 -8.261 1.00 0.00 H new ATOM 529 N ASN A 35 -1.617 -19.265 -6.265 1.00 0.00 N ATOM 530 CA ASN A 35 -1.694 -20.754 -6.309 1.00 0.00 C ATOM 531 C ASN A 35 -0.997 -21.342 -5.079 1.00 0.00 C ATOM 532 O ASN A 35 -0.039 -20.790 -4.576 1.00 0.00 O ATOM 533 CB ASN A 35 -1.015 -21.248 -7.591 1.00 0.00 C ATOM 534 CG ASN A 35 -0.805 -22.761 -7.532 1.00 0.00 C ATOM 535 OD1 ASN A 35 -0.099 -23.255 -6.678 1.00 0.00 O ATOM 536 ND2 ASN A 35 -1.391 -23.522 -8.415 1.00 0.00 N ATOM 0 H ASN A 35 -0.872 -18.851 -6.825 1.00 0.00 H new ATOM 0 HA ASN A 35 -2.736 -21.074 -6.305 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -1.627 -20.993 -8.456 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -0.056 -20.746 -7.719 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -1.256 -24.533 -8.387 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -1.985 -23.106 -9.133 1.00 0.00 H new ATOM 543 N PRO A 36 -1.490 -22.493 -4.589 1.00 0.00 N ATOM 544 CA PRO A 36 -0.916 -23.170 -3.417 1.00 0.00 C ATOM 545 C PRO A 36 0.522 -23.627 -3.672 1.00 0.00 C ATOM 546 O PRO A 36 1.426 -23.289 -2.932 1.00 0.00 O ATOM 547 CB PRO A 36 -1.839 -24.374 -3.215 1.00 0.00 C ATOM 548 CG PRO A 36 -2.437 -24.603 -4.559 1.00 0.00 C ATOM 549 CD PRO A 36 -2.640 -23.232 -5.135 1.00 0.00 C ATOM 0 HA PRO A 36 -0.860 -22.516 -2.547 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -1.285 -25.248 -2.871 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -2.605 -24.168 -2.468 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -1.777 -25.201 -5.187 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -3.381 -25.143 -4.484 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -2.636 -23.244 -6.225 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -3.589 -22.796 -4.824 1.00 0.00 H new ATOM 557 N CYS A 37 0.753 -24.370 -4.719 1.00 0.00 N ATOM 558 CA CYS A 37 2.144 -24.810 -5.009 1.00 0.00 C ATOM 559 C CYS A 37 2.997 -23.563 -5.238 1.00 0.00 C ATOM 560 O CYS A 37 4.187 -23.555 -4.997 1.00 0.00 O ATOM 561 CB CYS A 37 2.159 -25.692 -6.261 1.00 0.00 C ATOM 562 SG CYS A 37 3.861 -25.898 -6.845 1.00 0.00 S ATOM 0 H CYS A 37 0.045 -24.689 -5.380 1.00 0.00 H new ATOM 0 HA CYS A 37 2.541 -25.389 -4.175 1.00 0.00 H new ATOM 0 HB2 CYS A 37 1.721 -26.665 -6.037 1.00 0.00 H new ATOM 0 HB3 CYS A 37 1.549 -25.240 -7.043 1.00 0.00 H new ATOM 567 N MET A 38 2.384 -22.502 -5.690 1.00 0.00 N ATOM 568 CA MET A 38 3.142 -21.242 -5.923 1.00 0.00 C ATOM 569 C MET A 38 3.657 -20.725 -4.581 1.00 0.00 C ATOM 570 O MET A 38 4.564 -19.919 -4.519 1.00 0.00 O ATOM 571 CB MET A 38 2.217 -20.200 -6.558 1.00 0.00 C ATOM 572 CG MET A 38 2.289 -20.315 -8.082 1.00 0.00 C ATOM 573 SD MET A 38 3.962 -19.907 -8.638 1.00 0.00 S ATOM 574 CE MET A 38 3.910 -18.143 -8.241 1.00 0.00 C ATOM 0 H MET A 38 1.389 -22.455 -5.908 1.00 0.00 H new ATOM 0 HA MET A 38 3.981 -21.429 -6.593 1.00 0.00 H new ATOM 0 HB2 MET A 38 1.192 -20.353 -6.219 1.00 0.00 H new ATOM 0 HB3 MET A 38 2.510 -19.198 -6.244 1.00 0.00 H new ATOM 0 HG2 MET A 38 2.027 -21.326 -8.394 1.00 0.00 H new ATOM 0 HG3 MET A 38 1.566 -19.642 -8.543 1.00 0.00 H new ATOM 0 HE1 MET A 38 4.592 -17.602 -8.897 1.00 0.00 H new ATOM 0 HE2 MET A 38 2.896 -17.768 -8.382 1.00 0.00 H new ATOM 0 HE3 MET A 38 4.210 -17.994 -7.204 1.00 0.00 H new ATOM 584 N LEU A 39 3.090 -21.196 -3.502 1.00 0.00 N ATOM 585 CA LEU A 39 3.549 -20.749 -2.159 1.00 0.00 C ATOM 586 C LEU A 39 4.952 -21.299 -1.924 1.00 0.00 C ATOM 587 O LEU A 39 5.895 -20.562 -1.716 1.00 0.00 O ATOM 588 CB LEU A 39 2.596 -21.286 -1.089 1.00 0.00 C ATOM 589 CG LEU A 39 3.184 -21.026 0.299 1.00 0.00 C ATOM 590 CD1 LEU A 39 3.084 -19.536 0.624 1.00 0.00 C ATOM 591 CD2 LEU A 39 2.404 -21.828 1.344 1.00 0.00 C ATOM 0 H LEU A 39 2.327 -21.873 -3.495 1.00 0.00 H new ATOM 0 HA LEU A 39 3.561 -19.660 -2.106 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.623 -20.803 -1.179 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.436 -22.355 -1.233 1.00 0.00 H new ATOM 0 HG LEU A 39 4.230 -21.332 0.312 1.00 0.00 H new ATOM 0 HD11 LEU A 39 3.503 -19.350 1.613 1.00 0.00 H new ATOM 0 HD12 LEU A 39 3.640 -18.964 -0.119 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.038 -19.230 0.610 1.00 0.00 H new ATOM 0 HD21 LEU A 39 2.824 -21.642 2.333 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.358 -21.523 1.331 1.00 0.00 H new ATOM 0 HD23 LEU A 39 2.475 -22.891 1.114 1.00 0.00 H new ATOM 603 N CYS A 40 5.099 -22.592 -1.981 1.00 0.00 N ATOM 604 CA CYS A 40 6.447 -23.190 -1.790 1.00 0.00 C ATOM 605 C CYS A 40 7.392 -22.571 -2.819 1.00 0.00 C ATOM 606 O CYS A 40 8.587 -22.485 -2.615 1.00 0.00 O ATOM 607 CB CYS A 40 6.367 -24.700 -1.995 1.00 0.00 C ATOM 608 SG CYS A 40 7.856 -25.466 -1.323 1.00 0.00 S ATOM 0 H CYS A 40 4.346 -23.259 -2.151 1.00 0.00 H new ATOM 0 HA CYS A 40 6.814 -22.994 -0.782 1.00 0.00 H new ATOM 0 HB2 CYS A 40 5.482 -25.100 -1.500 1.00 0.00 H new ATOM 0 HB3 CYS A 40 6.271 -24.931 -3.056 1.00 0.00 H new ATOM 613 N HIS A 41 6.852 -22.123 -3.921 1.00 0.00 N ATOM 614 CA HIS A 41 7.696 -21.487 -4.971 1.00 0.00 C ATOM 615 C HIS A 41 8.218 -20.155 -4.442 1.00 0.00 C ATOM 616 O HIS A 41 9.408 -19.953 -4.300 1.00 0.00 O ATOM 617 CB HIS A 41 6.847 -21.237 -6.216 1.00 0.00 C ATOM 618 CG HIS A 41 7.735 -20.828 -7.359 1.00 0.00 C ATOM 619 ND1 HIS A 41 8.529 -21.735 -8.042 1.00 0.00 N ATOM 620 CD2 HIS A 41 7.961 -19.610 -7.953 1.00 0.00 C ATOM 621 CE1 HIS A 41 9.190 -21.056 -8.999 1.00 0.00 C ATOM 622 NE2 HIS A 41 8.880 -19.757 -8.987 1.00 0.00 N ATOM 0 H HIS A 41 5.857 -22.171 -4.139 1.00 0.00 H new ATOM 0 HA HIS A 41 8.531 -22.140 -5.224 1.00 0.00 H new ATOM 0 HB2 HIS A 41 6.293 -22.138 -6.477 1.00 0.00 H new ATOM 0 HB3 HIS A 41 6.112 -20.457 -6.017 1.00 0.00 H new ATOM 0 HD2 HIS A 41 7.496 -18.680 -7.662 1.00 0.00 H new ATOM 0 HE1 HIS A 41 9.886 -21.507 -9.691 1.00 0.00 H new ATOM 0 HE2 HIS A 41 9.240 -19.029 -9.604 1.00 0.00 H new ATOM 630 N GLU A 42 7.334 -19.247 -4.134 1.00 0.00 N ATOM 631 CA GLU A 42 7.782 -17.934 -3.597 1.00 0.00 C ATOM 632 C GLU A 42 8.638 -18.191 -2.360 1.00 0.00 C ATOM 633 O GLU A 42 9.419 -17.358 -1.943 1.00 0.00 O ATOM 634 CB GLU A 42 6.561 -17.094 -3.219 1.00 0.00 C ATOM 635 CG GLU A 42 5.784 -16.728 -4.485 1.00 0.00 C ATOM 636 CD GLU A 42 4.797 -15.602 -4.174 1.00 0.00 C ATOM 637 OE1 GLU A 42 4.879 -15.051 -3.087 1.00 0.00 O ATOM 638 OE2 GLU A 42 3.974 -15.308 -5.025 1.00 0.00 O ATOM 0 H GLU A 42 6.325 -19.358 -4.231 1.00 0.00 H new ATOM 0 HA GLU A 42 8.361 -17.394 -4.346 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.921 -17.650 -2.534 1.00 0.00 H new ATOM 0 HB3 GLU A 42 6.875 -16.190 -2.698 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.473 -16.415 -5.269 1.00 0.00 H new ATOM 0 HG3 GLU A 42 5.249 -17.600 -4.861 1.00 0.00 H new ATOM 645 N ASN A 43 8.502 -19.351 -1.777 1.00 0.00 N ATOM 646 CA ASN A 43 9.314 -19.683 -0.574 1.00 0.00 C ATOM 647 C ASN A 43 10.721 -20.072 -1.026 1.00 0.00 C ATOM 648 O ASN A 43 11.707 -19.704 -0.418 1.00 0.00 O ATOM 649 CB ASN A 43 8.674 -20.858 0.168 1.00 0.00 C ATOM 650 CG ASN A 43 7.354 -20.407 0.798 1.00 0.00 C ATOM 651 OD1 ASN A 43 7.141 -19.231 1.017 1.00 0.00 O ATOM 652 ND2 ASN A 43 6.452 -21.301 1.098 1.00 0.00 N ATOM 0 H ASN A 43 7.862 -20.084 -2.083 1.00 0.00 H new ATOM 0 HA ASN A 43 9.360 -18.822 0.093 1.00 0.00 H new ATOM 0 HB2 ASN A 43 8.497 -21.684 -0.521 1.00 0.00 H new ATOM 0 HB3 ASN A 43 9.350 -21.226 0.940 1.00 0.00 H new ATOM 0 HD21 ASN A 43 5.568 -21.013 1.517 1.00 0.00 H new ATOM 0 HD22 ASN A 43 6.631 -22.288 0.914 1.00 0.00 H new ATOM 659 N LEU A 44 10.819 -20.809 -2.100 1.00 0.00 N ATOM 660 CA LEU A 44 12.156 -21.218 -2.608 1.00 0.00 C ATOM 661 C LEU A 44 13.001 -19.965 -2.839 1.00 0.00 C ATOM 662 O LEU A 44 14.202 -19.968 -2.649 1.00 0.00 O ATOM 663 CB LEU A 44 11.987 -21.978 -3.926 1.00 0.00 C ATOM 664 CG LEU A 44 13.354 -22.447 -4.429 1.00 0.00 C ATOM 665 CD1 LEU A 44 14.116 -23.119 -3.285 1.00 0.00 C ATOM 666 CD2 LEU A 44 13.158 -23.449 -5.569 1.00 0.00 C ATOM 0 H LEU A 44 10.027 -21.145 -2.648 1.00 0.00 H new ATOM 0 HA LEU A 44 12.650 -21.865 -1.883 1.00 0.00 H new ATOM 0 HB2 LEU A 44 11.328 -22.834 -3.781 1.00 0.00 H new ATOM 0 HB3 LEU A 44 11.516 -21.335 -4.670 1.00 0.00 H new ATOM 0 HG LEU A 44 13.923 -21.590 -4.790 1.00 0.00 H new ATOM 0 HD11 LEU A 44 15.090 -23.453 -3.643 1.00 0.00 H new ATOM 0 HD12 LEU A 44 14.253 -22.407 -2.472 1.00 0.00 H new ATOM 0 HD13 LEU A 44 13.548 -23.977 -2.924 1.00 0.00 H new ATOM 0 HD21 LEU A 44 14.130 -23.785 -5.929 1.00 0.00 H new ATOM 0 HD22 LEU A 44 12.590 -24.306 -5.207 1.00 0.00 H new ATOM 0 HD23 LEU A 44 12.614 -22.971 -6.384 1.00 0.00 H new ATOM 678 N ILE A 45 12.379 -18.889 -3.238 1.00 0.00 N ATOM 679 CA ILE A 45 13.139 -17.630 -3.473 1.00 0.00 C ATOM 680 C ILE A 45 13.420 -16.960 -2.128 1.00 0.00 C ATOM 681 O ILE A 45 14.540 -16.603 -1.822 1.00 0.00 O ATOM 682 CB ILE A 45 12.313 -16.684 -4.349 1.00 0.00 C ATOM 683 CG1 ILE A 45 11.578 -17.491 -5.422 1.00 0.00 C ATOM 684 CG2 ILE A 45 13.241 -15.670 -5.020 1.00 0.00 C ATOM 685 CD1 ILE A 45 10.962 -16.534 -6.444 1.00 0.00 C ATOM 0 H ILE A 45 11.376 -18.828 -3.411 1.00 0.00 H new ATOM 0 HA ILE A 45 14.078 -17.858 -3.978 1.00 0.00 H new ATOM 0 HB ILE A 45 11.586 -16.158 -3.730 1.00 0.00 H new ATOM 0 HG12 ILE A 45 12.269 -18.173 -5.917 1.00 0.00 H new ATOM 0 HG13 ILE A 45 10.800 -18.102 -4.964 1.00 0.00 H new ATOM 0 HG21 ILE A 45 12.654 -14.996 -5.644 1.00 0.00 H new ATOM 0 HG22 ILE A 45 13.764 -15.094 -4.256 1.00 0.00 H new ATOM 0 HG23 ILE A 45 13.968 -16.196 -5.639 1.00 0.00 H new ATOM 0 HD11 ILE A 45 10.438 -17.107 -7.209 1.00 0.00 H new ATOM 0 HD12 ILE A 45 10.258 -15.870 -5.942 1.00 0.00 H new ATOM 0 HD13 ILE A 45 11.750 -15.942 -6.910 1.00 0.00 H new ATOM 697 N ARG A 46 12.410 -16.792 -1.318 1.00 0.00 N ATOM 698 CA ARG A 46 12.618 -16.149 0.009 1.00 0.00 C ATOM 699 C ARG A 46 13.505 -17.047 0.874 1.00 0.00 C ATOM 700 O ARG A 46 14.130 -16.597 1.814 1.00 0.00 O ATOM 701 CB ARG A 46 11.268 -15.955 0.701 1.00 0.00 C ATOM 702 CG ARG A 46 10.376 -15.055 -0.155 1.00 0.00 C ATOM 703 CD ARG A 46 9.026 -14.871 0.539 1.00 0.00 C ATOM 704 NE ARG A 46 8.107 -14.103 -0.348 1.00 0.00 N ATOM 705 CZ ARG A 46 8.554 -13.076 -1.019 1.00 0.00 C ATOM 706 NH1 ARG A 46 8.464 -11.878 -0.512 1.00 0.00 N ATOM 707 NH2 ARG A 46 9.091 -13.250 -2.195 1.00 0.00 N ATOM 0 H ARG A 46 11.450 -17.073 -1.519 1.00 0.00 H new ATOM 0 HA ARG A 46 13.099 -15.180 -0.129 1.00 0.00 H new ATOM 0 HB2 ARG A 46 10.786 -16.920 0.856 1.00 0.00 H new ATOM 0 HB3 ARG A 46 11.413 -15.510 1.685 1.00 0.00 H new ATOM 0 HG2 ARG A 46 10.855 -14.087 -0.306 1.00 0.00 H new ATOM 0 HG3 ARG A 46 10.233 -15.497 -1.141 1.00 0.00 H new ATOM 0 HD2 ARG A 46 8.592 -15.843 0.775 1.00 0.00 H new ATOM 0 HD3 ARG A 46 9.160 -14.344 1.484 1.00 0.00 H new ATOM 0 HE ARG A 46 7.129 -14.380 -0.431 1.00 0.00 H new ATOM 0 HH11 ARG A 46 8.045 -11.744 0.408 1.00 0.00 H new ATOM 0 HH12 ARG A 46 8.813 -11.075 -1.035 1.00 0.00 H new ATOM 0 HH21 ARG A 46 9.161 -14.188 -2.590 1.00 0.00 H new ATOM 0 HH22 ARG A 46 9.440 -12.448 -2.720 1.00 0.00 H new ATOM 721 N GLN A 47 13.560 -18.313 0.566 1.00 0.00 N ATOM 722 CA GLN A 47 14.401 -19.244 1.369 1.00 0.00 C ATOM 723 C GLN A 47 13.859 -19.311 2.799 1.00 0.00 C ATOM 724 O GLN A 47 14.603 -19.279 3.759 1.00 0.00 O ATOM 725 CB GLN A 47 15.846 -18.740 1.394 1.00 0.00 C ATOM 726 CG GLN A 47 16.387 -18.677 -0.036 1.00 0.00 C ATOM 727 CD GLN A 47 17.845 -18.210 -0.010 1.00 0.00 C ATOM 728 OE1 GLN A 47 18.315 -17.704 0.989 1.00 0.00 O ATOM 729 NE2 GLN A 47 18.584 -18.360 -1.074 1.00 0.00 N ATOM 0 H GLN A 47 13.057 -18.744 -0.210 1.00 0.00 H new ATOM 0 HA GLN A 47 14.373 -20.237 0.920 1.00 0.00 H new ATOM 0 HB2 GLN A 47 15.891 -17.753 1.855 1.00 0.00 H new ATOM 0 HB3 GLN A 47 16.464 -19.403 1.999 1.00 0.00 H new ATOM 0 HG2 GLN A 47 16.316 -19.658 -0.506 1.00 0.00 H new ATOM 0 HG3 GLN A 47 15.785 -17.993 -0.634 1.00 0.00 H new ATOM 0 HE21 GLN A 47 18.190 -18.785 -1.913 1.00 0.00 H new ATOM 0 HE22 GLN A 47 19.556 -18.052 -1.067 1.00 0.00 H new ATOM 738 N THR A 48 12.565 -19.404 2.946 1.00 0.00 N ATOM 739 CA THR A 48 11.971 -19.474 4.310 1.00 0.00 C ATOM 740 C THR A 48 10.967 -20.628 4.369 1.00 0.00 C ATOM 741 O THR A 48 10.605 -21.199 3.358 1.00 0.00 O ATOM 742 CB THR A 48 11.255 -18.157 4.622 1.00 0.00 C ATOM 743 OG1 THR A 48 10.942 -18.107 6.008 1.00 0.00 O ATOM 744 CG2 THR A 48 9.968 -18.066 3.801 1.00 0.00 C ATOM 0 H THR A 48 11.894 -19.434 2.179 1.00 0.00 H new ATOM 0 HA THR A 48 12.760 -19.641 5.043 1.00 0.00 H new ATOM 0 HB THR A 48 11.905 -17.320 4.366 1.00 0.00 H new ATOM 0 HG1 THR A 48 10.485 -17.264 6.210 1.00 0.00 H new ATOM 0 HG21 THR A 48 9.460 -17.128 4.024 1.00 0.00 H new ATOM 0 HG22 THR A 48 10.210 -18.103 2.739 1.00 0.00 H new ATOM 0 HG23 THR A 48 9.315 -18.902 4.054 1.00 0.00 H new ATOM 752 N ASN A 49 10.514 -20.976 5.541 1.00 0.00 N ATOM 753 CA ASN A 49 9.535 -22.094 5.659 1.00 0.00 C ATOM 754 C ASN A 49 8.135 -21.522 5.897 1.00 0.00 C ATOM 755 O ASN A 49 7.530 -21.748 6.926 1.00 0.00 O ATOM 756 CB ASN A 49 9.927 -22.994 6.831 1.00 0.00 C ATOM 757 CG ASN A 49 11.259 -23.680 6.521 1.00 0.00 C ATOM 758 OD1 ASN A 49 11.685 -23.719 5.384 1.00 0.00 O ATOM 759 ND2 ASN A 49 11.939 -24.225 7.492 1.00 0.00 N ATOM 0 H ASN A 49 10.779 -20.535 6.422 1.00 0.00 H new ATOM 0 HA ASN A 49 9.536 -22.678 4.739 1.00 0.00 H new ATOM 0 HB2 ASN A 49 10.013 -22.405 7.744 1.00 0.00 H new ATOM 0 HB3 ASN A 49 9.152 -23.741 7.005 1.00 0.00 H new ATOM 0 HD21 ASN A 49 12.829 -24.684 7.297 1.00 0.00 H new ATOM 0 HD22 ASN A 49 11.581 -24.192 8.447 1.00 0.00 H new ATOM 766 N THR A 50 7.618 -20.782 4.955 1.00 0.00 N ATOM 767 CA THR A 50 6.258 -20.195 5.129 1.00 0.00 C ATOM 768 C THR A 50 5.199 -21.287 4.959 1.00 0.00 C ATOM 769 O THR A 50 5.303 -22.138 4.098 1.00 0.00 O ATOM 770 CB THR A 50 6.035 -19.107 4.077 1.00 0.00 C ATOM 771 OG1 THR A 50 7.098 -18.165 4.138 1.00 0.00 O ATOM 772 CG2 THR A 50 4.704 -18.398 4.346 1.00 0.00 C ATOM 0 H THR A 50 8.078 -20.558 4.072 1.00 0.00 H new ATOM 0 HA THR A 50 6.177 -19.764 6.127 1.00 0.00 H new ATOM 0 HB THR A 50 6.008 -19.560 3.086 1.00 0.00 H new ATOM 0 HG1 THR A 50 6.957 -17.468 3.463 1.00 0.00 H new ATOM 0 HG21 THR A 50 4.546 -17.623 3.596 1.00 0.00 H new ATOM 0 HG22 THR A 50 3.890 -19.121 4.297 1.00 0.00 H new ATOM 0 HG23 THR A 50 4.727 -17.944 5.337 1.00 0.00 H new ATOM 780 N HIS A 51 4.175 -21.262 5.767 1.00 0.00 N ATOM 781 CA HIS A 51 3.102 -22.289 5.649 1.00 0.00 C ATOM 782 C HIS A 51 1.790 -21.599 5.275 1.00 0.00 C ATOM 783 O HIS A 51 1.729 -20.393 5.144 1.00 0.00 O ATOM 784 CB HIS A 51 2.929 -23.011 6.988 1.00 0.00 C ATOM 785 CG HIS A 51 4.267 -23.485 7.487 1.00 0.00 C ATOM 786 ND1 HIS A 51 4.872 -24.717 7.459 1.00 0.00 N flip ATOM 787 CD2 HIS A 51 5.162 -22.638 8.121 1.00 0.00 C flip ATOM 788 CE1 HIS A 51 6.121 -24.640 8.067 1.00 0.00 C flip ATOM 789 NE2 HIS A 51 6.247 -23.367 8.448 1.00 0.00 N flip ATOM 0 H HIS A 51 4.035 -20.573 6.506 1.00 0.00 H new ATOM 0 HA HIS A 51 3.374 -23.013 4.881 1.00 0.00 H new ATOM 0 HB2 HIS A 51 2.475 -22.340 7.718 1.00 0.00 H new ATOM 0 HB3 HIS A 51 2.253 -23.858 6.870 1.00 0.00 H new ATOM 0 HD2 HIS A 51 5.016 -21.586 8.317 1.00 0.00 H new ATOM 0 HE1 HIS A 51 6.835 -25.439 8.202 1.00 0.00 H new ATOM 0 HE2 HIS A 51 7.065 -22.992 8.928 1.00 0.00 H new ATOM 797 N ILE A 52 0.735 -22.349 5.106 1.00 0.00 N ATOM 798 CA ILE A 52 -0.569 -21.723 4.746 1.00 0.00 C ATOM 799 C ILE A 52 -1.312 -21.328 6.022 1.00 0.00 C ATOM 800 O ILE A 52 -1.547 -22.139 6.896 1.00 0.00 O ATOM 801 CB ILE A 52 -1.419 -22.717 3.956 1.00 0.00 C ATOM 802 CG1 ILE A 52 -0.700 -23.087 2.656 1.00 0.00 C ATOM 803 CG2 ILE A 52 -2.770 -22.073 3.633 1.00 0.00 C ATOM 804 CD1 ILE A 52 -1.618 -23.952 1.791 1.00 0.00 C ATOM 0 H ILE A 52 0.719 -23.364 5.201 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.386 -20.838 4.136 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.575 -23.620 4.547 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.418 -22.184 2.115 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.221 -23.626 2.878 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -3.383 -22.776 3.069 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -3.279 -21.811 4.560 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.611 -21.173 3.039 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -1.105 -24.215 0.866 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -1.878 -24.861 2.333 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.527 -23.397 1.557 1.00 0.00 H new ATOM 816 N ARG A 53 -1.684 -20.087 6.128 1.00 0.00 N ATOM 817 CA ARG A 53 -2.418 -19.619 7.336 1.00 0.00 C ATOM 818 C ARG A 53 -3.889 -20.003 7.212 1.00 0.00 C ATOM 819 O ARG A 53 -4.489 -20.527 8.129 1.00 0.00 O ATOM 820 CB ARG A 53 -2.310 -18.097 7.430 1.00 0.00 C ATOM 821 CG ARG A 53 -2.989 -17.615 8.712 1.00 0.00 C ATOM 822 CD ARG A 53 -2.740 -16.117 8.889 1.00 0.00 C ATOM 823 NE ARG A 53 -3.374 -15.655 10.157 1.00 0.00 N ATOM 824 CZ ARG A 53 -4.531 -15.051 10.127 1.00 0.00 C ATOM 825 NH1 ARG A 53 -4.626 -13.803 10.496 1.00 0.00 N ATOM 826 NH2 ARG A 53 -5.593 -15.697 9.729 1.00 0.00 N ATOM 0 H ARG A 53 -1.511 -19.369 5.425 1.00 0.00 H new ATOM 0 HA ARG A 53 -1.989 -20.079 8.226 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -1.263 -17.795 7.425 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -2.779 -17.634 6.562 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -4.060 -17.813 8.666 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -2.600 -18.163 9.570 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -1.669 -15.915 8.911 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -3.151 -15.567 8.043 1.00 0.00 H new ATOM 0 HE ARG A 53 -2.903 -15.811 11.048 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -3.796 -13.299 10.808 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -5.530 -13.332 10.472 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -5.519 -16.673 9.442 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -6.497 -15.226 9.705 1.00 0.00 H new ATOM 840 N SER A 54 -4.471 -19.735 6.081 1.00 0.00 N ATOM 841 CA SER A 54 -5.905 -20.067 5.879 1.00 0.00 C ATOM 842 C SER A 54 -6.178 -20.239 4.385 1.00 0.00 C ATOM 843 O SER A 54 -5.504 -19.667 3.552 1.00 0.00 O ATOM 844 CB SER A 54 -6.767 -18.929 6.427 1.00 0.00 C ATOM 845 OG SER A 54 -6.864 -17.898 5.455 1.00 0.00 O ATOM 0 H SER A 54 -4.012 -19.297 5.282 1.00 0.00 H new ATOM 0 HA SER A 54 -6.146 -20.992 6.402 1.00 0.00 H new ATOM 0 HB2 SER A 54 -7.760 -19.300 6.679 1.00 0.00 H new ATOM 0 HB3 SER A 54 -6.330 -18.537 7.346 1.00 0.00 H new ATOM 0 HG SER A 54 -7.418 -17.169 5.805 1.00 0.00 H new ATOM 851 N THR A 55 -7.161 -21.021 4.036 1.00 0.00 N ATOM 852 CA THR A 55 -7.468 -21.223 2.593 1.00 0.00 C ATOM 853 C THR A 55 -8.092 -19.949 2.023 1.00 0.00 C ATOM 854 O THR A 55 -8.810 -19.239 2.698 1.00 0.00 O ATOM 855 CB THR A 55 -8.449 -22.388 2.437 1.00 0.00 C ATOM 856 OG1 THR A 55 -9.723 -22.003 2.934 1.00 0.00 O ATOM 857 CG2 THR A 55 -7.938 -23.597 3.222 1.00 0.00 C ATOM 0 H THR A 55 -7.763 -21.527 4.685 1.00 0.00 H new ATOM 0 HA THR A 55 -6.548 -21.450 2.054 1.00 0.00 H new ATOM 0 HB THR A 55 -8.534 -22.652 1.383 1.00 0.00 H new ATOM 0 HG1 THR A 55 -10.352 -22.748 2.833 1.00 0.00 H new ATOM 0 HG21 THR A 55 -8.637 -24.426 3.110 1.00 0.00 H new ATOM 0 HG22 THR A 55 -6.961 -23.893 2.840 1.00 0.00 H new ATOM 0 HG23 THR A 55 -7.851 -23.336 4.277 1.00 0.00 H new ATOM 865 N GLY A 56 -7.819 -19.652 0.783 1.00 0.00 N ATOM 866 CA GLY A 56 -8.389 -18.423 0.166 1.00 0.00 C ATOM 867 C GLY A 56 -7.446 -17.247 0.410 1.00 0.00 C ATOM 868 O GLY A 56 -6.568 -17.302 1.247 1.00 0.00 O ATOM 0 H GLY A 56 -7.224 -20.209 0.169 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -8.531 -18.573 -0.904 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -9.370 -18.211 0.591 1.00 0.00 H new ATOM 872 N LYS A 57 -7.627 -16.184 -0.318 1.00 0.00 N ATOM 873 CA LYS A 57 -6.747 -14.995 -0.140 1.00 0.00 C ATOM 874 C LYS A 57 -6.954 -14.413 1.260 1.00 0.00 C ATOM 875 O LYS A 57 -8.051 -14.403 1.782 1.00 0.00 O ATOM 876 CB LYS A 57 -7.102 -13.934 -1.184 1.00 0.00 C ATOM 877 CG LYS A 57 -6.864 -14.497 -2.587 1.00 0.00 C ATOM 878 CD LYS A 57 -6.822 -13.347 -3.595 1.00 0.00 C ATOM 879 CE LYS A 57 -6.657 -13.914 -5.007 1.00 0.00 C ATOM 880 NZ LYS A 57 -7.979 -13.927 -5.695 1.00 0.00 N ATOM 0 H LYS A 57 -8.349 -16.085 -1.032 1.00 0.00 H new ATOM 0 HA LYS A 57 -5.706 -15.295 -0.263 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -8.144 -13.634 -1.073 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -6.495 -13.041 -1.031 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -5.927 -15.053 -2.614 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -7.657 -15.197 -2.850 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -7.738 -12.760 -3.532 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -5.996 -12.675 -3.362 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -5.947 -13.310 -5.572 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -6.250 -14.924 -4.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -7.867 -14.312 -6.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -8.644 -14.521 -5.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -8.350 -12.957 -5.752 1.00 0.00 H new ATOM 894 N CYS A 58 -5.910 -13.925 1.870 1.00 0.00 N ATOM 895 CA CYS A 58 -6.051 -13.341 3.231 1.00 0.00 C ATOM 896 C CYS A 58 -6.673 -11.948 3.124 1.00 0.00 C ATOM 897 O CYS A 58 -6.517 -11.264 2.132 1.00 0.00 O ATOM 898 CB CYS A 58 -4.675 -13.239 3.891 1.00 0.00 C ATOM 899 SG CYS A 58 -4.710 -14.083 5.492 1.00 0.00 S ATOM 0 H CYS A 58 -4.966 -13.906 1.484 1.00 0.00 H new ATOM 0 HA CYS A 58 -6.694 -13.981 3.836 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -3.917 -13.687 3.248 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -4.401 -12.193 4.025 1.00 0.00 H new ATOM 904 N GLU A 59 -7.377 -11.523 4.135 1.00 0.00 N ATOM 905 CA GLU A 59 -8.010 -10.175 4.087 1.00 0.00 C ATOM 906 C GLU A 59 -7.514 -9.336 5.265 1.00 0.00 C ATOM 907 O GLU A 59 -6.344 -8.992 5.271 1.00 0.00 O ATOM 908 CB GLU A 59 -9.531 -10.323 4.169 1.00 0.00 C ATOM 909 CG GLU A 59 -10.037 -11.071 2.935 1.00 0.00 C ATOM 910 CD GLU A 59 -9.686 -10.275 1.676 1.00 0.00 C ATOM 911 OE1 GLU A 59 -9.387 -9.099 1.806 1.00 0.00 O ATOM 912 OE2 GLU A 59 -9.722 -10.854 0.603 1.00 0.00 O ATOM 913 OXT GLU A 59 -8.314 -9.048 6.141 1.00 0.00 O ATOM 0 H GLU A 59 -7.542 -12.050 4.993 1.00 0.00 H new ATOM 0 HA GLU A 59 -7.743 -9.681 3.153 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -9.806 -10.865 5.074 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -10.000 -9.341 4.230 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -9.587 -12.063 2.888 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -11.116 -11.213 3.000 1.00 0.00 H new TER 920 GLU A 59