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 109:sc= -1.09! USER MOD Set 1.2: A 50 THR OG1 : rot 180:sc= 0.455 USER MOD Set 2.1: A 31 GLN : amide:sc= 0.375 K(o=-1.5,f=-3.3!) USER MOD Set 2.2: A 33 TYR OH : rot 48:sc= -1.88! USER MOD Set 3.1: A 8 TYR OH : rot 7:sc= -7.62! USER MOD Set 3.2: A 16 TYR OH : rot 127:sc= -0.99! USER MOD Single : A 1 ASP N :NH3+ -172:sc= 0.05 (180deg=-0.0173) USER MOD Single : A 2 SER OG : rot 20:sc= -1.25 USER MOD Single : A 4 MET CE :methyl 149:sc= -0.189 (180deg=-1.23) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 162:sc= 0.00192 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -0.926! C(o=-0.93!,f=-3.1!) USER MOD Single : A 35 ASN : amide:sc= -7.12! C(o=-7.1!,f=-20!) USER MOD Single : A 38 MET CE :methyl -124:sc= -0.0191 (180deg=-0.351) USER MOD Single : A 41 HIS : no HE2:sc= 0.737 K(o=0.74,f=-2.6!) USER MOD Single : A 43 ASN : amide:sc= -3.86! C(o=-3.9!,f=-6.7!) 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=-1.7!) USER MOD Single : A 51 HIS :FLIP no HD1:sc= -3.4 F(o=-5.8!,f=-3.4) 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 0.067 -30.135 1.372 1.00 0.00 N ATOM 2 CA ASP A 1 0.174 -28.790 2.004 1.00 0.00 C ATOM 3 C ASP A 1 1.638 -28.347 2.015 1.00 0.00 C ATOM 4 O ASP A 1 2.504 -29.015 1.485 1.00 0.00 O ATOM 5 CB ASP A 1 -0.348 -28.857 3.441 1.00 0.00 C ATOM 6 CG ASP A 1 -1.849 -29.152 3.426 1.00 0.00 C ATOM 7 OD1 ASP A 1 -2.438 -29.076 2.360 1.00 0.00 O ATOM 8 OD2 ASP A 1 -2.385 -29.449 4.481 1.00 0.00 O ATOM 0 H1 ASP A 1 -0.936 -30.378 1.241 1.00 0.00 H new ATOM 0 H2 ASP A 1 0.544 -30.123 0.448 1.00 0.00 H new ATOM 0 H3 ASP A 1 0.518 -30.844 1.985 1.00 0.00 H new ATOM 0 HA ASP A 1 -0.419 -28.074 1.435 1.00 0.00 H new ATOM 0 HB2 ASP A 1 0.180 -29.633 3.995 1.00 0.00 H new ATOM 0 HB3 ASP A 1 -0.157 -27.914 3.953 1.00 0.00 H new ATOM 15 N SER A 2 1.922 -27.225 2.618 1.00 0.00 N ATOM 16 CA SER A 2 3.329 -26.737 2.666 1.00 0.00 C ATOM 17 C SER A 2 4.224 -27.822 3.270 1.00 0.00 C ATOM 18 O SER A 2 5.406 -27.888 2.997 1.00 0.00 O ATOM 19 CB SER A 2 3.400 -25.480 3.533 1.00 0.00 C ATOM 20 OG SER A 2 2.986 -24.356 2.771 1.00 0.00 O ATOM 0 H SER A 2 1.239 -26.625 3.080 1.00 0.00 H new ATOM 0 HA SER A 2 3.669 -26.505 1.657 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.762 -25.593 4.410 1.00 0.00 H new ATOM 0 HB3 SER A 2 4.417 -25.332 3.896 1.00 0.00 H new ATOM 0 HG SER A 2 2.461 -24.658 2.000 1.00 0.00 H new ATOM 26 N GLU A 3 3.668 -28.672 4.088 1.00 0.00 N ATOM 27 CA GLU A 3 4.485 -29.752 4.705 1.00 0.00 C ATOM 28 C GLU A 3 5.210 -30.520 3.603 1.00 0.00 C ATOM 29 O GLU A 3 6.254 -31.102 3.818 1.00 0.00 O ATOM 30 CB GLU A 3 3.572 -30.705 5.480 1.00 0.00 C ATOM 31 CG GLU A 3 3.987 -30.724 6.952 1.00 0.00 C ATOM 32 CD GLU A 3 3.388 -31.953 7.637 1.00 0.00 C ATOM 33 OE1 GLU A 3 2.208 -32.200 7.440 1.00 0.00 O ATOM 34 OE2 GLU A 3 4.116 -32.628 8.345 1.00 0.00 O ATOM 0 H GLU A 3 2.684 -28.665 4.355 1.00 0.00 H new ATOM 0 HA GLU A 3 5.213 -29.317 5.390 1.00 0.00 H new ATOM 0 HB2 GLU A 3 2.534 -30.386 5.388 1.00 0.00 H new ATOM 0 HB3 GLU A 3 3.636 -31.709 5.060 1.00 0.00 H new ATOM 0 HG2 GLU A 3 5.074 -30.743 7.034 1.00 0.00 H new ATOM 0 HG3 GLU A 3 3.646 -29.816 7.448 1.00 0.00 H new ATOM 41 N MET A 4 4.666 -30.518 2.418 1.00 0.00 N ATOM 42 CA MET A 4 5.325 -31.241 1.296 1.00 0.00 C ATOM 43 C MET A 4 6.550 -30.445 0.845 1.00 0.00 C ATOM 44 O MET A 4 7.568 -31.003 0.483 1.00 0.00 O ATOM 45 CB MET A 4 4.344 -31.385 0.131 1.00 0.00 C ATOM 46 CG MET A 4 3.102 -32.143 0.603 1.00 0.00 C ATOM 47 SD MET A 4 2.106 -32.627 -0.829 1.00 0.00 S ATOM 48 CE MET A 4 3.225 -33.902 -1.462 1.00 0.00 C ATOM 0 H MET A 4 3.794 -30.047 2.178 1.00 0.00 H new ATOM 0 HA MET A 4 5.633 -32.233 1.625 1.00 0.00 H new ATOM 0 HB2 MET A 4 4.062 -30.402 -0.245 1.00 0.00 H new ATOM 0 HB3 MET A 4 4.817 -31.918 -0.694 1.00 0.00 H new ATOM 0 HG2 MET A 4 3.396 -33.027 1.170 1.00 0.00 H new ATOM 0 HG3 MET A 4 2.514 -31.516 1.273 1.00 0.00 H new ATOM 0 HE1 MET A 4 2.646 -34.681 -1.958 1.00 0.00 H new ATOM 0 HE2 MET A 4 3.919 -33.456 -2.175 1.00 0.00 H new ATOM 0 HE3 MET A 4 3.785 -34.338 -0.635 1.00 0.00 H new ATOM 58 N CYS A 5 6.463 -29.143 0.874 1.00 0.00 N ATOM 59 CA CYS A 5 7.625 -28.309 0.460 1.00 0.00 C ATOM 60 C CYS A 5 8.557 -28.119 1.659 1.00 0.00 C ATOM 61 O CYS A 5 9.539 -27.406 1.587 1.00 0.00 O ATOM 62 CB CYS A 5 7.138 -26.940 -0.022 1.00 0.00 C ATOM 63 SG CYS A 5 5.562 -27.124 -0.895 1.00 0.00 S ATOM 0 H CYS A 5 5.637 -28.621 1.167 1.00 0.00 H new ATOM 0 HA CYS A 5 8.157 -28.807 -0.351 1.00 0.00 H new ATOM 0 HB2 CYS A 5 7.018 -26.267 0.827 1.00 0.00 H new ATOM 0 HB3 CYS A 5 7.880 -26.491 -0.682 1.00 0.00 H new ATOM 68 N LYS A 6 8.257 -28.747 2.762 1.00 0.00 N ATOM 69 CA LYS A 6 9.126 -28.601 3.961 1.00 0.00 C ATOM 70 C LYS A 6 10.425 -29.375 3.743 1.00 0.00 C ATOM 71 O LYS A 6 11.425 -29.124 4.387 1.00 0.00 O ATOM 72 CB LYS A 6 8.397 -29.156 5.185 1.00 0.00 C ATOM 73 CG LYS A 6 7.424 -28.103 5.711 1.00 0.00 C ATOM 74 CD LYS A 6 6.994 -28.468 7.134 1.00 0.00 C ATOM 75 CE LYS A 6 5.843 -27.557 7.567 1.00 0.00 C ATOM 76 NZ LYS A 6 6.106 -27.044 8.941 1.00 0.00 N ATOM 0 H LYS A 6 7.447 -29.355 2.884 1.00 0.00 H new ATOM 0 HA LYS A 6 9.355 -27.548 4.122 1.00 0.00 H new ATOM 0 HB2 LYS A 6 7.858 -30.066 4.921 1.00 0.00 H new ATOM 0 HB3 LYS A 6 9.115 -29.424 5.960 1.00 0.00 H new ATOM 0 HG2 LYS A 6 7.896 -27.121 5.703 1.00 0.00 H new ATOM 0 HG3 LYS A 6 6.551 -28.042 5.061 1.00 0.00 H new ATOM 0 HD2 LYS A 6 6.682 -29.511 7.175 1.00 0.00 H new ATOM 0 HD3 LYS A 6 7.835 -28.360 7.819 1.00 0.00 H new ATOM 0 HE2 LYS A 6 5.741 -26.725 6.870 1.00 0.00 H new ATOM 0 HE3 LYS A 6 4.902 -28.107 7.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 5.324 -26.425 9.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 6.182 -27.844 9.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 6.995 -26.505 8.946 1.00 0.00 H new ATOM 90 N ASP A 7 10.418 -30.314 2.840 1.00 0.00 N ATOM 91 CA ASP A 7 11.655 -31.106 2.580 1.00 0.00 C ATOM 92 C ASP A 7 11.697 -31.537 1.111 1.00 0.00 C ATOM 93 O ASP A 7 11.778 -32.709 0.801 1.00 0.00 O ATOM 94 CB ASP A 7 11.664 -32.344 3.476 1.00 0.00 C ATOM 95 CG ASP A 7 10.459 -33.227 3.142 1.00 0.00 C ATOM 96 OD1 ASP A 7 9.749 -32.896 2.206 1.00 0.00 O ATOM 97 OD2 ASP A 7 10.268 -34.219 3.825 1.00 0.00 O ATOM 0 H ASP A 7 9.611 -30.569 2.270 1.00 0.00 H new ATOM 0 HA ASP A 7 12.528 -30.491 2.798 1.00 0.00 H new ATOM 0 HB2 ASP A 7 12.589 -32.903 3.332 1.00 0.00 H new ATOM 0 HB3 ASP A 7 11.631 -32.047 4.524 1.00 0.00 H new ATOM 102 N TYR A 8 11.650 -30.598 0.204 1.00 0.00 N ATOM 103 CA TYR A 8 11.696 -30.956 -1.243 1.00 0.00 C ATOM 104 C TYR A 8 12.906 -30.279 -1.892 1.00 0.00 C ATOM 105 O TYR A 8 13.700 -29.641 -1.229 1.00 0.00 O ATOM 106 CB TYR A 8 10.409 -30.489 -1.933 1.00 0.00 C ATOM 107 CG TYR A 8 10.443 -28.989 -2.119 1.00 0.00 C ATOM 108 CD1 TYR A 8 10.299 -28.145 -1.012 1.00 0.00 C ATOM 109 CD2 TYR A 8 10.618 -28.443 -3.397 1.00 0.00 C ATOM 110 CE1 TYR A 8 10.331 -26.756 -1.182 1.00 0.00 C ATOM 111 CE2 TYR A 8 10.648 -27.054 -3.567 1.00 0.00 C ATOM 112 CZ TYR A 8 10.505 -26.210 -2.458 1.00 0.00 C ATOM 113 OH TYR A 8 10.535 -24.841 -2.625 1.00 0.00 O ATOM 0 H TYR A 8 11.582 -29.600 0.402 1.00 0.00 H new ATOM 0 HA TYR A 8 11.784 -32.037 -1.348 1.00 0.00 H new ATOM 0 HB2 TYR A 8 10.304 -30.982 -2.899 1.00 0.00 H new ATOM 0 HB3 TYR A 8 9.542 -30.771 -1.335 1.00 0.00 H new ATOM 0 HD1 TYR A 8 10.163 -28.565 -0.026 1.00 0.00 H new ATOM 0 HD2 TYR A 8 10.730 -29.094 -4.251 1.00 0.00 H new ATOM 0 HE1 TYR A 8 10.221 -26.105 -0.327 1.00 0.00 H new ATOM 0 HE2 TYR A 8 10.781 -26.633 -4.553 1.00 0.00 H new ATOM 0 HH TYR A 8 10.533 -24.404 -1.748 1.00 0.00 H new ATOM 123 N ARG A 9 13.052 -30.409 -3.181 1.00 0.00 N ATOM 124 CA ARG A 9 14.210 -29.770 -3.865 1.00 0.00 C ATOM 125 C ARG A 9 13.838 -29.467 -5.317 1.00 0.00 C ATOM 126 O ARG A 9 13.101 -30.202 -5.945 1.00 0.00 O ATOM 127 CB ARG A 9 15.409 -30.718 -3.830 1.00 0.00 C ATOM 128 CG ARG A 9 15.959 -30.795 -2.404 1.00 0.00 C ATOM 129 CD ARG A 9 17.258 -31.602 -2.403 1.00 0.00 C ATOM 130 NE ARG A 9 17.571 -32.038 -1.013 1.00 0.00 N ATOM 131 CZ ARG A 9 17.755 -31.148 -0.078 1.00 0.00 C ATOM 132 NH1 ARG A 9 18.951 -30.681 0.152 1.00 0.00 N ATOM 133 NH2 ARG A 9 16.742 -30.726 0.629 1.00 0.00 N ATOM 0 H ARG A 9 12.420 -30.929 -3.790 1.00 0.00 H new ATOM 0 HA ARG A 9 14.468 -28.842 -3.355 1.00 0.00 H new ATOM 0 HB2 ARG A 9 15.112 -31.710 -4.170 1.00 0.00 H new ATOM 0 HB3 ARG A 9 16.184 -30.366 -4.511 1.00 0.00 H new ATOM 0 HG2 ARG A 9 16.141 -29.792 -2.018 1.00 0.00 H new ATOM 0 HG3 ARG A 9 15.227 -31.262 -1.745 1.00 0.00 H new ATOM 0 HD2 ARG A 9 17.160 -32.470 -3.054 1.00 0.00 H new ATOM 0 HD3 ARG A 9 18.074 -30.998 -2.798 1.00 0.00 H new ATOM 0 HE ARG A 9 17.641 -33.032 -0.793 1.00 0.00 H new ATOM 0 HH11 ARG A 9 19.743 -31.012 -0.400 1.00 0.00 H new ATOM 0 HH12 ARG A 9 19.095 -29.985 0.883 1.00 0.00 H new ATOM 0 HH21 ARG A 9 15.807 -31.092 0.450 1.00 0.00 H new ATOM 0 HH22 ARG A 9 16.885 -30.030 1.361 1.00 0.00 H new ATOM 147 N VAL A 10 14.341 -28.390 -5.857 1.00 0.00 N ATOM 148 CA VAL A 10 14.011 -28.045 -7.269 1.00 0.00 C ATOM 149 C VAL A 10 15.295 -27.700 -8.026 1.00 0.00 C ATOM 150 O VAL A 10 16.095 -26.899 -7.584 1.00 0.00 O ATOM 151 CB VAL A 10 13.065 -26.844 -7.292 1.00 0.00 C ATOM 152 CG1 VAL A 10 12.934 -26.324 -8.724 1.00 0.00 C ATOM 153 CG2 VAL A 10 11.688 -27.270 -6.778 1.00 0.00 C ATOM 0 H VAL A 10 14.964 -27.736 -5.383 1.00 0.00 H new ATOM 0 HA VAL A 10 13.528 -28.897 -7.747 1.00 0.00 H new ATOM 0 HB VAL A 10 13.465 -26.056 -6.654 1.00 0.00 H new ATOM 0 HG11 VAL A 10 12.260 -25.468 -8.740 1.00 0.00 H new ATOM 0 HG12 VAL A 10 13.914 -26.021 -9.092 1.00 0.00 H new ATOM 0 HG13 VAL A 10 12.535 -27.112 -9.362 1.00 0.00 H new ATOM 0 HG21 VAL A 10 11.013 -26.414 -6.794 1.00 0.00 H new ATOM 0 HG22 VAL A 10 11.289 -28.059 -7.416 1.00 0.00 H new ATOM 0 HG23 VAL A 10 11.779 -27.641 -5.757 1.00 0.00 H new ATOM 163 N LEU A 11 15.497 -28.299 -9.168 1.00 0.00 N ATOM 164 CA LEU A 11 16.726 -28.011 -9.960 1.00 0.00 C ATOM 165 C LEU A 11 16.341 -27.269 -11.242 1.00 0.00 C ATOM 166 O LEU A 11 15.177 -27.077 -11.530 1.00 0.00 O ATOM 167 CB LEU A 11 17.418 -29.328 -10.318 1.00 0.00 C ATOM 168 CG LEU A 11 18.715 -29.454 -9.516 1.00 0.00 C ATOM 169 CD1 LEU A 11 18.387 -29.538 -8.025 1.00 0.00 C ATOM 170 CD2 LEU A 11 19.461 -30.719 -9.945 1.00 0.00 C ATOM 0 H LEU A 11 14.861 -28.978 -9.588 1.00 0.00 H new ATOM 0 HA LEU A 11 17.405 -27.392 -9.373 1.00 0.00 H new ATOM 0 HB2 LEU A 11 16.759 -30.169 -10.100 1.00 0.00 H new ATOM 0 HB3 LEU A 11 17.633 -29.360 -11.386 1.00 0.00 H new ATOM 0 HG LEU A 11 19.342 -28.582 -9.702 1.00 0.00 H new ATOM 0 HD11 LEU A 11 19.311 -29.628 -7.454 1.00 0.00 H new ATOM 0 HD12 LEU A 11 17.857 -28.637 -7.718 1.00 0.00 H new ATOM 0 HD13 LEU A 11 17.759 -30.410 -7.839 1.00 0.00 H new ATOM 0 HD21 LEU A 11 20.385 -30.808 -9.373 1.00 0.00 H new ATOM 0 HD22 LEU A 11 18.834 -31.591 -9.760 1.00 0.00 H new ATOM 0 HD23 LEU A 11 19.696 -30.660 -11.008 1.00 0.00 H new ATOM 182 N PRO A 12 17.344 -26.847 -12.029 1.00 0.00 N ATOM 183 CA PRO A 12 17.113 -26.126 -13.287 1.00 0.00 C ATOM 184 C PRO A 12 16.459 -27.024 -14.341 1.00 0.00 C ATOM 185 O PRO A 12 15.809 -26.555 -15.253 1.00 0.00 O ATOM 186 CB PRO A 12 18.518 -25.722 -13.733 1.00 0.00 C ATOM 187 CG PRO A 12 19.415 -26.719 -13.081 1.00 0.00 C ATOM 188 CD PRO A 12 18.779 -27.040 -11.758 1.00 0.00 C ATOM 0 HA PRO A 12 16.437 -25.280 -13.159 1.00 0.00 H new ATOM 0 HB2 PRO A 12 18.614 -25.751 -14.818 1.00 0.00 H new ATOM 0 HB3 PRO A 12 18.758 -24.706 -13.419 1.00 0.00 H new ATOM 0 HG2 PRO A 12 19.515 -27.615 -13.694 1.00 0.00 H new ATOM 0 HG3 PRO A 12 20.417 -26.313 -12.945 1.00 0.00 H new ATOM 0 HD2 PRO A 12 18.997 -28.060 -11.442 1.00 0.00 H new ATOM 0 HD3 PRO A 12 19.134 -26.378 -10.968 1.00 0.00 H new ATOM 196 N ARG A 13 16.622 -28.313 -14.218 1.00 0.00 N ATOM 197 CA ARG A 13 16.004 -29.239 -15.208 1.00 0.00 C ATOM 198 C ARG A 13 14.638 -29.689 -14.691 1.00 0.00 C ATOM 199 O ARG A 13 13.684 -29.801 -15.434 1.00 0.00 O ATOM 200 CB ARG A 13 16.905 -30.460 -15.401 1.00 0.00 C ATOM 201 CG ARG A 13 16.232 -31.442 -16.362 1.00 0.00 C ATOM 202 CD ARG A 13 17.102 -32.692 -16.506 1.00 0.00 C ATOM 203 NE ARG A 13 17.029 -33.493 -15.253 1.00 0.00 N ATOM 204 CZ ARG A 13 16.262 -34.548 -15.195 1.00 0.00 C ATOM 205 NH1 ARG A 13 16.785 -35.725 -14.993 1.00 0.00 N ATOM 206 NH2 ARG A 13 14.971 -34.424 -15.340 1.00 0.00 N ATOM 0 H ARG A 13 17.156 -28.764 -13.475 1.00 0.00 H new ATOM 0 HA ARG A 13 15.884 -28.726 -16.162 1.00 0.00 H new ATOM 0 HB2 ARG A 13 17.873 -30.152 -15.797 1.00 0.00 H new ATOM 0 HB3 ARG A 13 17.092 -30.943 -14.442 1.00 0.00 H new ATOM 0 HG2 ARG A 13 15.245 -31.714 -15.988 1.00 0.00 H new ATOM 0 HG3 ARG A 13 16.087 -30.973 -17.335 1.00 0.00 H new ATOM 0 HD2 ARG A 13 16.763 -33.289 -17.352 1.00 0.00 H new ATOM 0 HD3 ARG A 13 18.135 -32.408 -16.710 1.00 0.00 H new ATOM 0 HE ARG A 13 17.579 -33.217 -14.439 1.00 0.00 H new ATOM 0 HH11 ARG A 13 17.794 -35.822 -14.880 1.00 0.00 H new ATOM 0 HH12 ARG A 13 16.185 -36.549 -14.948 1.00 0.00 H new ATOM 0 HH21 ARG A 13 14.562 -33.503 -15.499 1.00 0.00 H new ATOM 0 HH22 ARG A 13 14.371 -35.248 -15.295 1.00 0.00 H new ATOM 220 N ILE A 14 14.539 -29.945 -13.416 1.00 0.00 N ATOM 221 CA ILE A 14 13.236 -30.384 -12.842 1.00 0.00 C ATOM 222 C ILE A 14 12.339 -29.164 -12.630 1.00 0.00 C ATOM 223 O ILE A 14 11.164 -29.183 -12.938 1.00 0.00 O ATOM 224 CB ILE A 14 13.477 -31.075 -11.499 1.00 0.00 C ATOM 225 CG1 ILE A 14 14.387 -32.288 -11.703 1.00 0.00 C ATOM 226 CG2 ILE A 14 12.140 -31.534 -10.913 1.00 0.00 C ATOM 227 CD1 ILE A 14 14.814 -32.841 -10.343 1.00 0.00 C ATOM 0 H ILE A 14 15.305 -29.869 -12.746 1.00 0.00 H new ATOM 0 HA ILE A 14 12.752 -31.080 -13.528 1.00 0.00 H new ATOM 0 HB ILE A 14 13.954 -30.375 -10.813 1.00 0.00 H new ATOM 0 HG12 ILE A 14 13.864 -33.057 -12.272 1.00 0.00 H new ATOM 0 HG13 ILE A 14 15.265 -32.004 -12.284 1.00 0.00 H new ATOM 0 HG21 ILE A 14 12.312 -32.026 -9.956 1.00 0.00 H new ATOM 0 HG22 ILE A 14 11.492 -30.670 -10.765 1.00 0.00 H new ATOM 0 HG23 ILE A 14 11.662 -32.233 -11.600 1.00 0.00 H new ATOM 0 HD11 ILE A 14 15.462 -33.705 -10.489 1.00 0.00 H new ATOM 0 HD12 ILE A 14 15.354 -32.072 -9.791 1.00 0.00 H new ATOM 0 HD13 ILE A 14 13.931 -33.141 -9.779 1.00 0.00 H new ATOM 239 N GLY A 15 12.885 -28.101 -12.107 1.00 0.00 N ATOM 240 CA GLY A 15 12.066 -26.878 -11.873 1.00 0.00 C ATOM 241 C GLY A 15 11.029 -27.158 -10.784 1.00 0.00 C ATOM 242 O GLY A 15 11.209 -28.022 -9.949 1.00 0.00 O ATOM 0 H GLY A 15 13.864 -28.026 -11.831 1.00 0.00 H new ATOM 0 HA2 GLY A 15 12.708 -26.049 -11.574 1.00 0.00 H new ATOM 0 HA3 GLY A 15 11.568 -26.579 -12.795 1.00 0.00 H new ATOM 246 N TYR A 16 9.944 -26.433 -10.787 1.00 0.00 N ATOM 247 CA TYR A 16 8.895 -26.656 -9.754 1.00 0.00 C ATOM 248 C TYR A 16 7.638 -27.216 -10.424 1.00 0.00 C ATOM 249 O TYR A 16 7.340 -26.909 -11.561 1.00 0.00 O ATOM 250 CB TYR A 16 8.560 -25.327 -9.072 1.00 0.00 C ATOM 251 CG TYR A 16 8.351 -25.557 -7.594 1.00 0.00 C ATOM 252 CD1 TYR A 16 7.250 -26.300 -7.151 1.00 0.00 C ATOM 253 CD2 TYR A 16 9.255 -25.024 -6.667 1.00 0.00 C ATOM 254 CE1 TYR A 16 7.055 -26.512 -5.781 1.00 0.00 C ATOM 255 CE2 TYR A 16 9.059 -25.236 -5.297 1.00 0.00 C ATOM 256 CZ TYR A 16 7.959 -25.980 -4.854 1.00 0.00 C ATOM 257 OH TYR A 16 7.767 -26.189 -3.504 1.00 0.00 O ATOM 0 H TYR A 16 9.739 -25.695 -11.461 1.00 0.00 H new ATOM 0 HA TYR A 16 9.259 -27.364 -9.009 1.00 0.00 H new ATOM 0 HB2 TYR A 16 9.368 -24.612 -9.229 1.00 0.00 H new ATOM 0 HB3 TYR A 16 7.662 -24.896 -9.514 1.00 0.00 H new ATOM 0 HD1 TYR A 16 6.552 -26.709 -7.866 1.00 0.00 H new ATOM 0 HD2 TYR A 16 10.103 -24.449 -7.009 1.00 0.00 H new ATOM 0 HE1 TYR A 16 6.207 -27.086 -5.439 1.00 0.00 H new ATOM 0 HE2 TYR A 16 9.757 -24.826 -4.582 1.00 0.00 H new ATOM 0 HH TYR A 16 8.585 -26.558 -3.111 1.00 0.00 H new ATOM 267 N LEU A 17 6.898 -28.035 -9.729 1.00 0.00 N ATOM 268 CA LEU A 17 5.662 -28.612 -10.329 1.00 0.00 C ATOM 269 C LEU A 17 4.457 -28.247 -9.463 1.00 0.00 C ATOM 270 O LEU A 17 4.455 -28.450 -8.265 1.00 0.00 O ATOM 271 CB LEU A 17 5.787 -30.135 -10.403 1.00 0.00 C ATOM 272 CG LEU A 17 7.197 -30.509 -10.859 1.00 0.00 C ATOM 273 CD1 LEU A 17 8.163 -30.374 -9.682 1.00 0.00 C ATOM 274 CD2 LEU A 17 7.200 -31.953 -11.362 1.00 0.00 C ATOM 0 H LEU A 17 7.095 -28.329 -8.773 1.00 0.00 H new ATOM 0 HA LEU A 17 5.528 -28.209 -11.333 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.580 -30.575 -9.428 1.00 0.00 H new ATOM 0 HB3 LEU A 17 5.050 -30.538 -11.098 1.00 0.00 H new ATOM 0 HG LEU A 17 7.511 -29.844 -11.663 1.00 0.00 H new ATOM 0 HD11 LEU A 17 9.169 -30.640 -10.005 1.00 0.00 H new ATOM 0 HD12 LEU A 17 8.158 -29.345 -9.323 1.00 0.00 H new ATOM 0 HD13 LEU A 17 7.852 -31.041 -8.878 1.00 0.00 H new ATOM 0 HD21 LEU A 17 8.205 -32.223 -11.688 1.00 0.00 H new ATOM 0 HD22 LEU A 17 6.889 -32.619 -10.557 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.509 -32.048 -12.200 1.00 0.00 H new ATOM 286 N CYS A 18 3.430 -27.712 -10.060 1.00 0.00 N ATOM 287 CA CYS A 18 2.224 -27.337 -9.273 1.00 0.00 C ATOM 288 C CYS A 18 0.969 -27.772 -10.032 1.00 0.00 C ATOM 289 O CYS A 18 0.991 -27.945 -11.235 1.00 0.00 O ATOM 290 CB CYS A 18 2.198 -25.822 -9.069 1.00 0.00 C ATOM 291 SG CYS A 18 3.703 -25.307 -8.206 1.00 0.00 S ATOM 0 H CYS A 18 3.374 -27.518 -11.060 1.00 0.00 H new ATOM 0 HA CYS A 18 2.253 -27.832 -8.302 1.00 0.00 H new ATOM 0 HB2 CYS A 18 2.126 -25.315 -10.031 1.00 0.00 H new ATOM 0 HB3 CYS A 18 1.319 -25.537 -8.492 1.00 0.00 H new ATOM 296 N PRO A 19 -0.147 -27.950 -9.312 1.00 0.00 N ATOM 297 CA PRO A 19 -1.418 -28.364 -9.915 1.00 0.00 C ATOM 298 C PRO A 19 -2.028 -27.250 -10.767 1.00 0.00 C ATOM 299 O PRO A 19 -1.624 -26.106 -10.694 1.00 0.00 O ATOM 300 CB PRO A 19 -2.312 -28.651 -8.709 1.00 0.00 C ATOM 301 CG PRO A 19 -1.737 -27.826 -7.608 1.00 0.00 C ATOM 302 CD PRO A 19 -0.254 -27.761 -7.855 1.00 0.00 C ATOM 0 HA PRO A 19 -1.297 -29.217 -10.582 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -3.348 -28.377 -8.910 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -2.306 -29.711 -8.455 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -2.174 -26.827 -7.602 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -1.950 -28.272 -6.637 1.00 0.00 H new ATOM 0 HD2 PRO A 19 0.165 -26.805 -7.541 1.00 0.00 H new ATOM 0 HD3 PRO A 19 0.280 -28.538 -7.308 1.00 0.00 H new ATOM 310 N LYS A 20 -2.996 -27.573 -11.579 1.00 0.00 N ATOM 311 CA LYS A 20 -3.628 -26.532 -12.436 1.00 0.00 C ATOM 312 C LYS A 20 -4.766 -25.858 -11.668 1.00 0.00 C ATOM 313 O LYS A 20 -5.303 -24.853 -12.090 1.00 0.00 O ATOM 314 CB LYS A 20 -4.180 -27.182 -13.707 1.00 0.00 C ATOM 315 CG LYS A 20 -3.033 -27.835 -14.483 1.00 0.00 C ATOM 316 CD LYS A 20 -3.568 -28.425 -15.790 1.00 0.00 C ATOM 317 CE LYS A 20 -2.411 -29.049 -16.576 1.00 0.00 C ATOM 318 NZ LYS A 20 -2.676 -30.501 -16.782 1.00 0.00 N ATOM 0 H LYS A 20 -3.377 -28.513 -11.686 1.00 0.00 H new ATOM 0 HA LYS A 20 -2.883 -25.784 -12.707 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -4.931 -27.929 -13.450 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -4.673 -26.433 -14.327 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -2.258 -27.098 -14.695 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -2.572 -28.618 -13.881 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -4.327 -29.178 -15.578 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -4.048 -27.647 -16.384 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.299 -28.549 -17.538 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -1.475 -28.913 -16.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -1.890 -30.925 -17.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -2.762 -30.973 -15.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -3.561 -30.620 -17.315 1.00 0.00 H new ATOM 332 N ASP A 21 -5.137 -26.403 -10.542 1.00 0.00 N ATOM 333 CA ASP A 21 -6.240 -25.793 -9.748 1.00 0.00 C ATOM 334 C ASP A 21 -5.705 -24.582 -8.979 1.00 0.00 C ATOM 335 O ASP A 21 -4.953 -24.716 -8.034 1.00 0.00 O ATOM 336 CB ASP A 21 -6.785 -26.825 -8.758 1.00 0.00 C ATOM 337 CG ASP A 21 -8.088 -26.308 -8.146 1.00 0.00 C ATOM 338 OD1 ASP A 21 -8.537 -25.252 -8.563 1.00 0.00 O ATOM 339 OD2 ASP A 21 -8.616 -26.976 -7.274 1.00 0.00 O ATOM 0 H ASP A 21 -4.724 -27.244 -10.138 1.00 0.00 H new ATOM 0 HA ASP A 21 -7.038 -25.474 -10.418 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -6.961 -27.774 -9.265 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -6.052 -27.014 -7.973 1.00 0.00 H new ATOM 344 N LEU A 22 -6.086 -23.399 -9.378 1.00 0.00 N ATOM 345 CA LEU A 22 -5.598 -22.180 -8.673 1.00 0.00 C ATOM 346 C LEU A 22 -6.345 -22.024 -7.346 1.00 0.00 C ATOM 347 O LEU A 22 -7.525 -21.734 -7.316 1.00 0.00 O ATOM 348 CB LEU A 22 -5.848 -20.950 -9.551 1.00 0.00 C ATOM 349 CG LEU A 22 -5.199 -19.713 -8.919 1.00 0.00 C ATOM 350 CD1 LEU A 22 -6.060 -19.218 -7.755 1.00 0.00 C ATOM 351 CD2 LEU A 22 -3.801 -20.063 -8.404 1.00 0.00 C ATOM 0 H LEU A 22 -6.714 -23.224 -10.162 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.530 -22.275 -8.477 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -5.440 -21.116 -10.548 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -6.920 -20.789 -9.668 1.00 0.00 H new ATOM 0 HG LEU A 22 -5.119 -18.930 -9.673 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -5.596 -18.339 -7.308 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -7.053 -18.958 -8.122 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -6.145 -20.004 -7.005 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -3.346 -19.179 -7.956 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -3.876 -20.851 -7.655 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -3.184 -20.408 -9.233 1.00 0.00 H new ATOM 363 N LYS A 23 -5.665 -22.212 -6.247 1.00 0.00 N ATOM 364 CA LYS A 23 -6.335 -22.072 -4.921 1.00 0.00 C ATOM 365 C LYS A 23 -5.576 -21.045 -4.076 1.00 0.00 C ATOM 366 O LYS A 23 -4.474 -21.294 -3.631 1.00 0.00 O ATOM 367 CB LYS A 23 -6.336 -23.422 -4.200 1.00 0.00 C ATOM 368 CG LYS A 23 -6.524 -24.546 -5.220 1.00 0.00 C ATOM 369 CD LYS A 23 -7.465 -25.604 -4.644 1.00 0.00 C ATOM 370 CE LYS A 23 -8.916 -25.186 -4.896 1.00 0.00 C ATOM 371 NZ LYS A 23 -9.830 -26.290 -4.490 1.00 0.00 N ATOM 0 H LYS A 23 -4.675 -22.456 -6.210 1.00 0.00 H new ATOM 0 HA LYS A 23 -7.363 -21.740 -5.067 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -5.399 -23.559 -3.661 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -7.136 -23.450 -3.460 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -6.934 -24.145 -6.147 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -5.561 -24.995 -5.465 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -7.268 -26.572 -5.106 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -7.289 -25.720 -3.575 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -9.148 -24.282 -4.333 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -9.060 -24.950 -5.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -10.793 -25.917 -4.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -9.834 -27.026 -5.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -9.502 -26.700 -3.592 1.00 0.00 H new ATOM 385 N PRO A 24 -6.186 -19.869 -3.854 1.00 0.00 N ATOM 386 CA PRO A 24 -5.576 -18.784 -3.066 1.00 0.00 C ATOM 387 C PRO A 24 -5.321 -19.194 -1.616 1.00 0.00 C ATOM 388 O PRO A 24 -6.225 -19.565 -0.896 1.00 0.00 O ATOM 389 CB PRO A 24 -6.621 -17.667 -3.135 1.00 0.00 C ATOM 390 CG PRO A 24 -7.899 -18.381 -3.409 1.00 0.00 C ATOM 391 CD PRO A 24 -7.528 -19.501 -4.335 1.00 0.00 C ATOM 0 HA PRO A 24 -4.599 -18.495 -3.454 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -6.669 -17.108 -2.200 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -6.388 -16.951 -3.923 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -8.344 -18.761 -2.489 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -8.632 -17.717 -3.867 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -8.228 -20.334 -4.267 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -7.514 -19.181 -5.377 1.00 0.00 H new ATOM 399 N VAL A 25 -4.089 -19.134 -1.186 1.00 0.00 N ATOM 400 CA VAL A 25 -3.771 -19.525 0.217 1.00 0.00 C ATOM 401 C VAL A 25 -3.249 -18.311 0.991 1.00 0.00 C ATOM 402 O VAL A 25 -2.720 -17.377 0.422 1.00 0.00 O ATOM 403 CB VAL A 25 -2.691 -20.609 0.214 1.00 0.00 C ATOM 404 CG1 VAL A 25 -3.106 -21.756 -0.709 1.00 0.00 C ATOM 405 CG2 VAL A 25 -1.373 -20.011 -0.284 1.00 0.00 C ATOM 0 H VAL A 25 -3.291 -18.832 -1.745 1.00 0.00 H new ATOM 0 HA VAL A 25 -4.677 -19.902 0.693 1.00 0.00 H new ATOM 0 HB VAL A 25 -2.564 -20.991 1.227 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -2.332 -22.524 -0.706 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -4.044 -22.185 -0.357 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.238 -21.378 -1.723 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -0.602 -20.781 -0.287 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -1.507 -19.627 -1.296 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -1.070 -19.198 0.375 1.00 0.00 H new ATOM 415 N CYS A 26 -3.381 -18.329 2.291 1.00 0.00 N ATOM 416 CA CYS A 26 -2.877 -17.188 3.111 1.00 0.00 C ATOM 417 C CYS A 26 -1.493 -17.542 3.656 1.00 0.00 C ATOM 418 O CYS A 26 -1.351 -18.429 4.470 1.00 0.00 O ATOM 419 CB CYS A 26 -3.831 -16.929 4.285 1.00 0.00 C ATOM 420 SG CYS A 26 -3.065 -15.762 5.439 1.00 0.00 S ATOM 0 H CYS A 26 -3.816 -19.084 2.821 1.00 0.00 H new ATOM 0 HA CYS A 26 -2.818 -16.293 2.492 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -4.776 -16.527 3.918 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -4.059 -17.865 4.795 1.00 0.00 H new ATOM 425 N GLY A 27 -0.470 -16.864 3.217 1.00 0.00 N ATOM 426 CA GLY A 27 0.899 -17.180 3.719 1.00 0.00 C ATOM 427 C GLY A 27 1.000 -16.814 5.203 1.00 0.00 C ATOM 428 O GLY A 27 0.590 -15.748 5.617 1.00 0.00 O ATOM 0 H GLY A 27 -0.520 -16.107 2.535 1.00 0.00 H new ATOM 0 HA2 GLY A 27 1.112 -18.240 3.580 1.00 0.00 H new ATOM 0 HA3 GLY A 27 1.644 -16.627 3.146 1.00 0.00 H new ATOM 432 N ASP A 28 1.543 -17.689 6.008 1.00 0.00 N ATOM 433 CA ASP A 28 1.666 -17.383 7.463 1.00 0.00 C ATOM 434 C ASP A 28 2.704 -16.280 7.674 1.00 0.00 C ATOM 435 O ASP A 28 2.882 -15.784 8.769 1.00 0.00 O ATOM 436 CB ASP A 28 2.098 -18.643 8.217 1.00 0.00 C ATOM 437 CG ASP A 28 2.200 -18.332 9.712 1.00 0.00 C ATOM 438 OD1 ASP A 28 1.705 -17.294 10.117 1.00 0.00 O ATOM 439 OD2 ASP A 28 2.775 -19.138 10.426 1.00 0.00 O ATOM 0 H ASP A 28 1.905 -18.599 5.722 1.00 0.00 H new ATOM 0 HA ASP A 28 0.701 -17.046 7.842 1.00 0.00 H new ATOM 0 HB2 ASP A 28 1.379 -19.445 8.050 1.00 0.00 H new ATOM 0 HB3 ASP A 28 3.059 -18.993 7.841 1.00 0.00 H new ATOM 444 N ASP A 29 3.388 -15.885 6.637 1.00 0.00 N ATOM 445 CA ASP A 29 4.405 -14.807 6.785 1.00 0.00 C ATOM 446 C ASP A 29 3.721 -13.444 6.658 1.00 0.00 C ATOM 447 O ASP A 29 4.361 -12.412 6.704 1.00 0.00 O ATOM 448 CB ASP A 29 5.463 -14.950 5.691 1.00 0.00 C ATOM 449 CG ASP A 29 4.803 -14.788 4.319 1.00 0.00 C ATOM 450 OD1 ASP A 29 3.637 -14.429 4.285 1.00 0.00 O ATOM 451 OD2 ASP A 29 5.474 -15.025 3.329 1.00 0.00 O ATOM 0 H ASP A 29 3.287 -16.261 5.694 1.00 0.00 H new ATOM 0 HA ASP A 29 4.881 -14.887 7.762 1.00 0.00 H new ATOM 0 HB2 ASP A 29 6.242 -14.199 5.823 1.00 0.00 H new ATOM 0 HB3 ASP A 29 5.945 -15.925 5.762 1.00 0.00 H new ATOM 456 N GLY A 30 2.426 -13.432 6.492 1.00 0.00 N ATOM 457 CA GLY A 30 1.704 -12.136 6.354 1.00 0.00 C ATOM 458 C GLY A 30 1.499 -11.837 4.869 1.00 0.00 C ATOM 459 O GLY A 30 1.240 -10.715 4.480 1.00 0.00 O ATOM 0 H GLY A 30 1.837 -14.264 6.446 1.00 0.00 H new ATOM 0 HA2 GLY A 30 0.742 -12.184 6.865 1.00 0.00 H new ATOM 0 HA3 GLY A 30 2.275 -11.335 6.824 1.00 0.00 H new ATOM 463 N GLN A 31 1.615 -12.836 4.039 1.00 0.00 N ATOM 464 CA GLN A 31 1.431 -12.619 2.578 1.00 0.00 C ATOM 465 C GLN A 31 0.391 -13.607 2.046 1.00 0.00 C ATOM 466 O GLN A 31 -0.065 -14.484 2.752 1.00 0.00 O ATOM 467 CB GLN A 31 2.760 -12.851 1.857 1.00 0.00 C ATOM 468 CG GLN A 31 3.713 -11.692 2.154 1.00 0.00 C ATOM 469 CD GLN A 31 5.105 -12.028 1.616 1.00 0.00 C ATOM 470 OE1 GLN A 31 5.331 -13.113 1.118 1.00 0.00 O ATOM 471 NE2 GLN A 31 6.056 -11.138 1.697 1.00 0.00 N ATOM 0 H GLN A 31 1.830 -13.795 4.311 1.00 0.00 H new ATOM 0 HA GLN A 31 1.093 -11.598 2.402 1.00 0.00 H new ATOM 0 HB2 GLN A 31 3.203 -13.792 2.183 1.00 0.00 H new ATOM 0 HB3 GLN A 31 2.593 -12.932 0.783 1.00 0.00 H new ATOM 0 HG2 GLN A 31 3.344 -10.776 1.693 1.00 0.00 H new ATOM 0 HG3 GLN A 31 3.760 -11.511 3.228 1.00 0.00 H new ATOM 0 HE21 GLN A 31 5.867 -10.227 2.115 1.00 0.00 H new ATOM 0 HE22 GLN A 31 6.988 -11.354 1.342 1.00 0.00 H new ATOM 480 N THR A 32 0.017 -13.475 0.805 1.00 0.00 N ATOM 481 CA THR A 32 -0.988 -14.406 0.223 1.00 0.00 C ATOM 482 C THR A 32 -0.489 -14.904 -1.134 1.00 0.00 C ATOM 483 O THR A 32 0.048 -14.151 -1.923 1.00 0.00 O ATOM 484 CB THR A 32 -2.317 -13.671 0.037 1.00 0.00 C ATOM 485 OG1 THR A 32 -2.668 -13.018 1.249 1.00 0.00 O ATOM 486 CG2 THR A 32 -3.407 -14.675 -0.339 1.00 0.00 C ATOM 0 H THR A 32 0.365 -12.760 0.166 1.00 0.00 H new ATOM 0 HA THR A 32 -1.132 -15.253 0.894 1.00 0.00 H new ATOM 0 HB THR A 32 -2.217 -12.932 -0.758 1.00 0.00 H new ATOM 0 HG1 THR A 32 -3.518 -12.545 1.131 1.00 0.00 H new ATOM 0 HG21 THR A 32 -4.354 -14.152 -0.472 1.00 0.00 H new ATOM 0 HG22 THR A 32 -3.136 -15.175 -1.269 1.00 0.00 H new ATOM 0 HG23 THR A 32 -3.510 -15.415 0.455 1.00 0.00 H new ATOM 494 N TYR A 33 -0.661 -16.164 -1.412 1.00 0.00 N ATOM 495 CA TYR A 33 -0.196 -16.710 -2.716 1.00 0.00 C ATOM 496 C TYR A 33 -1.398 -17.248 -3.492 1.00 0.00 C ATOM 497 O TYR A 33 -2.290 -17.852 -2.931 1.00 0.00 O ATOM 498 CB TYR A 33 0.808 -17.832 -2.460 1.00 0.00 C ATOM 499 CG TYR A 33 1.819 -17.357 -1.444 1.00 0.00 C ATOM 500 CD1 TYR A 33 2.881 -16.532 -1.840 1.00 0.00 C ATOM 501 CD2 TYR A 33 1.691 -17.735 -0.103 1.00 0.00 C ATOM 502 CE1 TYR A 33 3.811 -16.087 -0.892 1.00 0.00 C ATOM 503 CE2 TYR A 33 2.623 -17.291 0.842 1.00 0.00 C ATOM 504 CZ TYR A 33 3.683 -16.468 0.448 1.00 0.00 C ATOM 505 OH TYR A 33 4.598 -16.029 1.382 1.00 0.00 O ATOM 0 H TYR A 33 -1.104 -16.841 -0.791 1.00 0.00 H new ATOM 0 HA TYR A 33 0.285 -15.926 -3.300 1.00 0.00 H new ATOM 0 HB2 TYR A 33 0.295 -18.722 -2.095 1.00 0.00 H new ATOM 0 HB3 TYR A 33 1.308 -18.111 -3.388 1.00 0.00 H new ATOM 0 HD1 TYR A 33 2.982 -16.240 -2.875 1.00 0.00 H new ATOM 0 HD2 TYR A 33 0.873 -18.370 0.203 1.00 0.00 H new ATOM 0 HE1 TYR A 33 4.628 -15.449 -1.196 1.00 0.00 H new ATOM 0 HE2 TYR A 33 2.524 -17.584 1.877 1.00 0.00 H new ATOM 0 HH TYR A 33 4.727 -15.062 1.285 1.00 0.00 H new ATOM 515 N ASN A 34 -1.436 -17.026 -4.777 1.00 0.00 N ATOM 516 CA ASN A 34 -2.594 -17.518 -5.575 1.00 0.00 C ATOM 517 C ASN A 34 -2.673 -19.040 -5.477 1.00 0.00 C ATOM 518 O ASN A 34 -3.502 -19.578 -4.779 1.00 0.00 O ATOM 519 CB ASN A 34 -2.442 -17.100 -7.043 1.00 0.00 C ATOM 520 CG ASN A 34 -1.749 -15.740 -7.125 1.00 0.00 C ATOM 521 OD1 ASN A 34 -1.799 -14.961 -6.192 1.00 0.00 O ATOM 522 ND2 ASN A 34 -1.100 -15.420 -8.209 1.00 0.00 N ATOM 0 H ASN A 34 -0.720 -16.528 -5.306 1.00 0.00 H new ATOM 0 HA ASN A 34 -3.510 -17.080 -5.178 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -1.862 -17.847 -7.585 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -3.421 -17.049 -7.519 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -0.633 -14.516 -8.276 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -1.059 -16.074 -8.991 1.00 0.00 H new ATOM 529 N ASN A 35 -1.824 -19.741 -6.170 1.00 0.00 N ATOM 530 CA ASN A 35 -1.868 -21.230 -6.106 1.00 0.00 C ATOM 531 C ASN A 35 -1.118 -21.714 -4.862 1.00 0.00 C ATOM 532 O ASN A 35 -0.146 -21.115 -4.445 1.00 0.00 O ATOM 533 CB ASN A 35 -1.226 -21.807 -7.371 1.00 0.00 C ATOM 534 CG ASN A 35 -1.029 -23.315 -7.218 1.00 0.00 C ATOM 535 OD1 ASN A 35 -0.274 -23.759 -6.378 1.00 0.00 O ATOM 536 ND2 ASN A 35 -1.682 -24.126 -8.006 1.00 0.00 N ATOM 0 H ASN A 35 -1.103 -19.351 -6.777 1.00 0.00 H new ATOM 0 HA ASN A 35 -2.903 -21.567 -6.044 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -1.857 -21.601 -8.235 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -0.266 -21.324 -7.554 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -1.558 -25.134 -7.916 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -2.316 -23.751 -8.711 1.00 0.00 H new ATOM 543 N PRO A 36 -1.577 -22.825 -4.260 1.00 0.00 N ATOM 544 CA PRO A 36 -0.945 -23.395 -3.061 1.00 0.00 C ATOM 545 C PRO A 36 0.485 -23.864 -3.344 1.00 0.00 C ATOM 546 O PRO A 36 1.415 -23.485 -2.660 1.00 0.00 O ATOM 547 CB PRO A 36 -1.846 -24.581 -2.712 1.00 0.00 C ATOM 548 CG PRO A 36 -2.504 -24.932 -4.001 1.00 0.00 C ATOM 549 CD PRO A 36 -2.740 -23.621 -4.693 1.00 0.00 C ATOM 0 HA PRO A 36 -0.856 -22.669 -2.253 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -1.268 -25.418 -2.319 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -2.579 -24.314 -1.951 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -1.871 -25.585 -4.601 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -3.441 -25.463 -3.833 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -2.775 -23.733 -5.777 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -3.682 -23.164 -4.389 1.00 0.00 H new ATOM 557 N CYS A 37 0.677 -24.668 -4.355 1.00 0.00 N ATOM 558 CA CYS A 37 2.056 -25.128 -4.676 1.00 0.00 C ATOM 559 C CYS A 37 2.889 -23.905 -5.064 1.00 0.00 C ATOM 560 O CYS A 37 4.090 -23.873 -4.886 1.00 0.00 O ATOM 561 CB CYS A 37 2.007 -26.122 -5.841 1.00 0.00 C ATOM 562 SG CYS A 37 3.676 -26.378 -6.496 1.00 0.00 S ATOM 0 H CYS A 37 -0.057 -25.023 -4.968 1.00 0.00 H new ATOM 0 HA CYS A 37 2.503 -25.624 -3.814 1.00 0.00 H new ATOM 0 HB2 CYS A 37 1.588 -27.071 -5.505 1.00 0.00 H new ATOM 0 HB3 CYS A 37 1.352 -25.745 -6.626 1.00 0.00 H new ATOM 567 N MET A 38 2.247 -22.893 -5.582 1.00 0.00 N ATOM 568 CA MET A 38 2.979 -21.656 -5.974 1.00 0.00 C ATOM 569 C MET A 38 3.495 -20.965 -4.712 1.00 0.00 C ATOM 570 O MET A 38 4.406 -20.161 -4.758 1.00 0.00 O ATOM 571 CB MET A 38 2.021 -20.718 -6.716 1.00 0.00 C ATOM 572 CG MET A 38 1.993 -21.085 -8.202 1.00 0.00 C ATOM 573 SD MET A 38 1.015 -19.859 -9.108 1.00 0.00 S ATOM 574 CE MET A 38 2.280 -18.567 -9.187 1.00 0.00 C ATOM 0 H MET A 38 1.241 -22.871 -5.751 1.00 0.00 H new ATOM 0 HA MET A 38 3.817 -21.908 -6.624 1.00 0.00 H new ATOM 0 HB2 MET A 38 1.019 -20.795 -6.293 1.00 0.00 H new ATOM 0 HB3 MET A 38 2.340 -19.683 -6.592 1.00 0.00 H new ATOM 0 HG2 MET A 38 3.008 -21.121 -8.598 1.00 0.00 H new ATOM 0 HG3 MET A 38 1.564 -22.078 -8.334 1.00 0.00 H new ATOM 0 HE1 MET A 38 1.889 -17.647 -8.752 1.00 0.00 H new ATOM 0 HE2 MET A 38 3.161 -18.886 -8.630 1.00 0.00 H new ATOM 0 HE3 MET A 38 2.553 -18.389 -10.227 1.00 0.00 H new ATOM 584 N LEU A 39 2.922 -21.278 -3.581 1.00 0.00 N ATOM 585 CA LEU A 39 3.379 -20.649 -2.312 1.00 0.00 C ATOM 586 C LEU A 39 4.799 -21.120 -2.011 1.00 0.00 C ATOM 587 O LEU A 39 5.695 -20.328 -1.798 1.00 0.00 O ATOM 588 CB LEU A 39 2.451 -21.067 -1.170 1.00 0.00 C ATOM 589 CG LEU A 39 2.995 -20.536 0.160 1.00 0.00 C ATOM 590 CD1 LEU A 39 1.832 -20.286 1.123 1.00 0.00 C ATOM 591 CD2 LEU A 39 3.937 -21.567 0.778 1.00 0.00 C ATOM 0 H LEU A 39 2.156 -21.944 -3.483 1.00 0.00 H new ATOM 0 HA LEU A 39 3.361 -19.564 -2.410 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.447 -20.679 -1.344 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.371 -22.153 -1.133 1.00 0.00 H new ATOM 0 HG LEU A 39 3.535 -19.606 -0.019 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.218 -19.908 2.070 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.152 -19.552 0.690 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.296 -21.219 1.296 1.00 0.00 H new ATOM 0 HD21 LEU A 39 4.323 -21.187 1.724 1.00 0.00 H new ATOM 0 HD22 LEU A 39 3.395 -22.496 0.954 1.00 0.00 H new ATOM 0 HD23 LEU A 39 4.767 -21.755 0.097 1.00 0.00 H new ATOM 603 N CYS A 40 5.011 -22.406 -1.999 1.00 0.00 N ATOM 604 CA CYS A 40 6.378 -22.923 -1.716 1.00 0.00 C ATOM 605 C CYS A 40 7.365 -22.211 -2.637 1.00 0.00 C ATOM 606 O CYS A 40 8.440 -21.819 -2.233 1.00 0.00 O ATOM 607 CB CYS A 40 6.430 -24.430 -1.965 1.00 0.00 C ATOM 608 SG CYS A 40 4.972 -25.225 -1.245 1.00 0.00 S ATOM 0 H CYS A 40 4.301 -23.118 -2.172 1.00 0.00 H new ATOM 0 HA CYS A 40 6.637 -22.735 -0.674 1.00 0.00 H new ATOM 0 HB2 CYS A 40 6.472 -24.629 -3.036 1.00 0.00 H new ATOM 0 HB3 CYS A 40 7.336 -24.848 -1.527 1.00 0.00 H new ATOM 613 N HIS A 41 7.002 -22.017 -3.873 1.00 0.00 N ATOM 614 CA HIS A 41 7.914 -21.306 -4.806 1.00 0.00 C ATOM 615 C HIS A 41 8.409 -20.040 -4.116 1.00 0.00 C ATOM 616 O HIS A 41 9.588 -19.747 -4.089 1.00 0.00 O ATOM 617 CB HIS A 41 7.140 -20.926 -6.065 1.00 0.00 C ATOM 618 CG HIS A 41 8.081 -20.845 -7.236 1.00 0.00 C ATOM 619 ND1 HIS A 41 8.766 -21.951 -7.713 1.00 0.00 N ATOM 620 CD2 HIS A 41 8.460 -19.796 -8.036 1.00 0.00 C ATOM 621 CE1 HIS A 41 9.515 -21.547 -8.755 1.00 0.00 C ATOM 622 NE2 HIS A 41 9.366 -20.241 -8.996 1.00 0.00 N ATOM 0 H HIS A 41 6.115 -22.320 -4.276 1.00 0.00 H new ATOM 0 HA HIS A 41 8.757 -21.942 -5.076 1.00 0.00 H new ATOM 0 HB2 HIS A 41 6.363 -21.664 -6.262 1.00 0.00 H new ATOM 0 HB3 HIS A 41 6.641 -19.968 -5.921 1.00 0.00 H new ATOM 0 HD1 HIS A 41 8.712 -22.899 -7.342 1.00 0.00 H new ATOM 0 HD2 HIS A 41 8.109 -18.780 -7.936 1.00 0.00 H new ATOM 0 HE1 HIS A 41 10.158 -22.199 -9.327 1.00 0.00 H new ATOM 630 N GLU A 42 7.504 -19.295 -3.545 1.00 0.00 N ATOM 631 CA GLU A 42 7.897 -18.051 -2.837 1.00 0.00 C ATOM 632 C GLU A 42 8.889 -18.400 -1.729 1.00 0.00 C ATOM 633 O GLU A 42 9.655 -17.569 -1.284 1.00 0.00 O ATOM 634 CB GLU A 42 6.650 -17.405 -2.231 1.00 0.00 C ATOM 635 CG GLU A 42 5.912 -16.613 -3.312 1.00 0.00 C ATOM 636 CD GLU A 42 6.858 -15.575 -3.922 1.00 0.00 C ATOM 637 OE1 GLU A 42 7.672 -15.040 -3.188 1.00 0.00 O ATOM 638 OE2 GLU A 42 6.752 -15.334 -5.113 1.00 0.00 O ATOM 0 H GLU A 42 6.504 -19.498 -3.540 1.00 0.00 H new ATOM 0 HA GLU A 42 8.363 -17.354 -3.534 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.996 -18.171 -1.815 1.00 0.00 H new ATOM 0 HB3 GLU A 42 6.931 -16.746 -1.410 1.00 0.00 H new ATOM 0 HG2 GLU A 42 5.547 -17.288 -4.087 1.00 0.00 H new ATOM 0 HG3 GLU A 42 5.040 -16.118 -2.884 1.00 0.00 H new ATOM 645 N ASN A 43 8.887 -19.629 -1.286 1.00 0.00 N ATOM 646 CA ASN A 43 9.845 -20.024 -0.210 1.00 0.00 C ATOM 647 C ASN A 43 11.241 -20.175 -0.817 1.00 0.00 C ATOM 648 O ASN A 43 12.237 -19.857 -0.198 1.00 0.00 O ATOM 649 CB ASN A 43 9.425 -21.357 0.419 1.00 0.00 C ATOM 650 CG ASN A 43 8.158 -21.162 1.253 1.00 0.00 C ATOM 651 OD1 ASN A 43 8.178 -21.335 2.455 1.00 0.00 O ATOM 652 ND2 ASN A 43 7.051 -20.808 0.664 1.00 0.00 N ATOM 0 H ASN A 43 8.270 -20.371 -1.618 1.00 0.00 H new ATOM 0 HA ASN A 43 9.848 -19.255 0.562 1.00 0.00 H new ATOM 0 HB2 ASN A 43 9.247 -22.097 -0.361 1.00 0.00 H new ATOM 0 HB3 ASN A 43 10.229 -21.742 1.047 1.00 0.00 H new ATOM 0 HD21 ASN A 43 6.201 -20.676 1.212 1.00 0.00 H new ATOM 0 HD22 ASN A 43 7.034 -20.663 -0.345 1.00 0.00 H new ATOM 659 N LEU A 44 11.320 -20.658 -2.028 1.00 0.00 N ATOM 660 CA LEU A 44 12.648 -20.830 -2.678 1.00 0.00 C ATOM 661 C LEU A 44 13.282 -19.458 -2.908 1.00 0.00 C ATOM 662 O LEU A 44 14.429 -19.229 -2.580 1.00 0.00 O ATOM 663 CB LEU A 44 12.471 -21.541 -4.022 1.00 0.00 C ATOM 664 CG LEU A 44 11.949 -22.961 -3.785 1.00 0.00 C ATOM 665 CD1 LEU A 44 12.009 -23.751 -5.094 1.00 0.00 C ATOM 666 CD2 LEU A 44 12.816 -23.656 -2.732 1.00 0.00 C ATOM 0 H LEU A 44 10.520 -20.941 -2.594 1.00 0.00 H new ATOM 0 HA LEU A 44 13.294 -21.427 -2.034 1.00 0.00 H new ATOM 0 HB2 LEU A 44 11.774 -20.986 -4.650 1.00 0.00 H new ATOM 0 HB3 LEU A 44 13.421 -21.576 -4.555 1.00 0.00 H new ATOM 0 HG LEU A 44 10.918 -22.914 -3.434 1.00 0.00 H new ATOM 0 HD11 LEU A 44 11.638 -24.762 -4.926 1.00 0.00 H new ATOM 0 HD12 LEU A 44 11.392 -23.258 -5.845 1.00 0.00 H new ATOM 0 HD13 LEU A 44 13.040 -23.797 -5.444 1.00 0.00 H new ATOM 0 HD21 LEU A 44 12.444 -24.667 -2.564 1.00 0.00 H new ATOM 0 HD22 LEU A 44 13.847 -23.703 -3.083 1.00 0.00 H new ATOM 0 HD23 LEU A 44 12.775 -23.094 -1.799 1.00 0.00 H new ATOM 678 N ILE A 45 12.541 -18.540 -3.468 1.00 0.00 N ATOM 679 CA ILE A 45 13.102 -17.180 -3.714 1.00 0.00 C ATOM 680 C ILE A 45 13.355 -16.493 -2.373 1.00 0.00 C ATOM 681 O ILE A 45 14.439 -16.017 -2.101 1.00 0.00 O ATOM 682 CB ILE A 45 12.109 -16.351 -4.532 1.00 0.00 C ATOM 683 CG1 ILE A 45 11.479 -17.224 -5.619 1.00 0.00 C ATOM 684 CG2 ILE A 45 12.843 -15.178 -5.186 1.00 0.00 C ATOM 685 CD1 ILE A 45 12.577 -17.991 -6.358 1.00 0.00 C ATOM 0 H ILE A 45 11.574 -18.672 -3.765 1.00 0.00 H new ATOM 0 HA ILE A 45 14.037 -17.267 -4.267 1.00 0.00 H new ATOM 0 HB ILE A 45 11.327 -15.973 -3.873 1.00 0.00 H new ATOM 0 HG12 ILE A 45 10.770 -17.922 -5.174 1.00 0.00 H new ATOM 0 HG13 ILE A 45 10.919 -16.604 -6.319 1.00 0.00 H new ATOM 0 HG21 ILE A 45 12.137 -14.587 -5.769 1.00 0.00 H new ATOM 0 HG22 ILE A 45 13.290 -14.552 -4.413 1.00 0.00 H new ATOM 0 HG23 ILE A 45 13.626 -15.559 -5.842 1.00 0.00 H new ATOM 0 HD11 ILE A 45 12.128 -18.613 -7.132 1.00 0.00 H new ATOM 0 HD12 ILE A 45 13.269 -17.284 -6.816 1.00 0.00 H new ATOM 0 HD13 ILE A 45 13.117 -18.623 -5.653 1.00 0.00 H new ATOM 697 N ARG A 46 12.362 -16.440 -1.528 1.00 0.00 N ATOM 698 CA ARG A 46 12.545 -15.788 -0.201 1.00 0.00 C ATOM 699 C ARG A 46 13.493 -16.634 0.652 1.00 0.00 C ATOM 700 O ARG A 46 14.118 -16.146 1.573 1.00 0.00 O ATOM 701 CB ARG A 46 11.190 -15.673 0.502 1.00 0.00 C ATOM 702 CG ARG A 46 11.324 -14.763 1.723 1.00 0.00 C ATOM 703 CD ARG A 46 10.007 -14.761 2.500 1.00 0.00 C ATOM 704 NE ARG A 46 10.149 -13.914 3.716 1.00 0.00 N ATOM 705 CZ ARG A 46 9.184 -13.865 4.593 1.00 0.00 C ATOM 706 NH1 ARG A 46 8.773 -14.959 5.173 1.00 0.00 N ATOM 707 NH2 ARG A 46 8.631 -12.721 4.890 1.00 0.00 N ATOM 0 H ARG A 46 11.431 -16.820 -1.700 1.00 0.00 H new ATOM 0 HA ARG A 46 12.968 -14.793 -0.338 1.00 0.00 H new ATOM 0 HB2 ARG A 46 10.445 -15.271 -0.185 1.00 0.00 H new ATOM 0 HB3 ARG A 46 10.842 -16.660 0.807 1.00 0.00 H new ATOM 0 HG2 ARG A 46 12.136 -15.110 2.362 1.00 0.00 H new ATOM 0 HG3 ARG A 46 11.576 -13.750 1.410 1.00 0.00 H new ATOM 0 HD2 ARG A 46 9.202 -14.381 1.871 1.00 0.00 H new ATOM 0 HD3 ARG A 46 9.737 -15.779 2.782 1.00 0.00 H new ATOM 0 HE ARG A 46 11.000 -13.372 3.864 1.00 0.00 H new ATOM 0 HH11 ARG A 46 9.206 -15.853 4.941 1.00 0.00 H new ATOM 0 HH12 ARG A 46 8.019 -14.920 5.859 1.00 0.00 H new ATOM 0 HH21 ARG A 46 8.953 -11.866 4.437 1.00 0.00 H new ATOM 0 HH22 ARG A 46 7.877 -12.682 5.575 1.00 0.00 H new ATOM 721 N GLN A 47 13.606 -17.898 0.349 1.00 0.00 N ATOM 722 CA GLN A 47 14.514 -18.777 1.137 1.00 0.00 C ATOM 723 C GLN A 47 14.027 -18.850 2.585 1.00 0.00 C ATOM 724 O GLN A 47 14.804 -18.780 3.517 1.00 0.00 O ATOM 725 CB GLN A 47 15.931 -18.204 1.104 1.00 0.00 C ATOM 726 CG GLN A 47 16.413 -18.116 -0.345 1.00 0.00 C ATOM 727 CD GLN A 47 17.854 -17.604 -0.374 1.00 0.00 C ATOM 728 OE1 GLN A 47 18.337 -17.060 0.600 1.00 0.00 O ATOM 729 NE2 GLN A 47 18.567 -17.754 -1.456 1.00 0.00 N ATOM 0 H GLN A 47 13.108 -18.360 -0.412 1.00 0.00 H new ATOM 0 HA GLN A 47 14.515 -19.778 0.705 1.00 0.00 H new ATOM 0 HB2 GLN A 47 15.946 -17.216 1.564 1.00 0.00 H new ATOM 0 HB3 GLN A 47 16.604 -18.836 1.684 1.00 0.00 H new ATOM 0 HG2 GLN A 47 16.355 -19.096 -0.819 1.00 0.00 H new ATOM 0 HG3 GLN A 47 15.767 -17.448 -0.914 1.00 0.00 H new ATOM 0 HE21 GLN A 47 18.163 -18.210 -2.274 1.00 0.00 H new ATOM 0 HE22 GLN A 47 19.529 -17.415 -1.484 1.00 0.00 H new ATOM 738 N THR A 48 12.746 -18.991 2.784 1.00 0.00 N ATOM 739 CA THR A 48 12.213 -19.069 4.171 1.00 0.00 C ATOM 740 C THR A 48 11.231 -20.238 4.278 1.00 0.00 C ATOM 741 O THR A 48 10.813 -20.801 3.286 1.00 0.00 O ATOM 742 CB THR A 48 11.495 -17.763 4.517 1.00 0.00 C ATOM 743 OG1 THR A 48 10.354 -17.617 3.683 1.00 0.00 O ATOM 744 CG2 THR A 48 12.445 -16.584 4.297 1.00 0.00 C ATOM 0 H THR A 48 12.046 -19.056 2.045 1.00 0.00 H new ATOM 0 HA THR A 48 13.037 -19.225 4.867 1.00 0.00 H new ATOM 0 HB THR A 48 11.182 -17.785 5.561 1.00 0.00 H new ATOM 0 HG1 THR A 48 9.541 -17.747 4.215 1.00 0.00 H new ATOM 0 HG21 THR A 48 11.933 -15.654 4.543 1.00 0.00 H new ATOM 0 HG22 THR A 48 13.320 -16.698 4.937 1.00 0.00 H new ATOM 0 HG23 THR A 48 12.759 -16.560 3.254 1.00 0.00 H new ATOM 752 N ASN A 49 10.861 -20.609 5.473 1.00 0.00 N ATOM 753 CA ASN A 49 9.909 -21.742 5.639 1.00 0.00 C ATOM 754 C ASN A 49 8.483 -21.202 5.747 1.00 0.00 C ATOM 755 O ASN A 49 7.790 -21.440 6.716 1.00 0.00 O ATOM 756 CB ASN A 49 10.259 -22.519 6.911 1.00 0.00 C ATOM 757 CG ASN A 49 11.625 -23.187 6.742 1.00 0.00 C ATOM 758 OD1 ASN A 49 12.126 -23.303 5.641 1.00 0.00 O ATOM 759 ND2 ASN A 49 12.253 -23.634 7.795 1.00 0.00 N ATOM 0 H ASN A 49 11.177 -20.176 6.341 1.00 0.00 H new ATOM 0 HA ASN A 49 9.980 -22.404 4.776 1.00 0.00 H new ATOM 0 HB2 ASN A 49 10.275 -21.846 7.768 1.00 0.00 H new ATOM 0 HB3 ASN A 49 9.497 -23.272 7.111 1.00 0.00 H new ATOM 0 HD21 ASN A 49 13.164 -24.081 7.694 1.00 0.00 H new ATOM 0 HD22 ASN A 49 11.832 -23.537 8.719 1.00 0.00 H new ATOM 766 N THR A 50 8.036 -20.475 4.760 1.00 0.00 N ATOM 767 CA THR A 50 6.652 -19.924 4.810 1.00 0.00 C ATOM 768 C THR A 50 5.656 -21.011 4.406 1.00 0.00 C ATOM 769 O THR A 50 5.783 -21.627 3.366 1.00 0.00 O ATOM 770 CB THR A 50 6.536 -18.744 3.841 1.00 0.00 C ATOM 771 OG1 THR A 50 7.530 -17.778 4.154 1.00 0.00 O ATOM 772 CG2 THR A 50 5.147 -18.113 3.969 1.00 0.00 C ATOM 0 H THR A 50 8.568 -20.239 3.922 1.00 0.00 H new ATOM 0 HA THR A 50 6.433 -19.586 5.823 1.00 0.00 H new ATOM 0 HB THR A 50 6.680 -19.095 2.819 1.00 0.00 H new ATOM 0 HG1 THR A 50 7.459 -17.023 3.534 1.00 0.00 H new ATOM 0 HG21 THR A 50 5.064 -17.273 3.279 1.00 0.00 H new ATOM 0 HG22 THR A 50 4.386 -18.856 3.729 1.00 0.00 H new ATOM 0 HG23 THR A 50 5.000 -17.760 4.990 1.00 0.00 H new ATOM 780 N HIS A 51 4.664 -21.252 5.217 1.00 0.00 N ATOM 781 CA HIS A 51 3.660 -22.298 4.874 1.00 0.00 C ATOM 782 C HIS A 51 2.294 -21.646 4.677 1.00 0.00 C ATOM 783 O HIS A 51 2.171 -20.437 4.611 1.00 0.00 O ATOM 784 CB HIS A 51 3.571 -23.322 6.005 1.00 0.00 C ATOM 785 CG HIS A 51 4.951 -23.640 6.510 1.00 0.00 C ATOM 786 ND1 HIS A 51 5.906 -24.524 6.073 1.00 0.00 N flip ATOM 787 CD2 HIS A 51 5.499 -23.007 7.614 1.00 0.00 C flip ATOM 788 CE1 HIS A 51 7.029 -24.443 6.890 1.00 0.00 C flip ATOM 789 NE2 HIS A 51 6.730 -23.515 7.803 1.00 0.00 N flip ATOM 0 H HIS A 51 4.505 -20.770 6.102 1.00 0.00 H new ATOM 0 HA HIS A 51 3.965 -22.799 3.955 1.00 0.00 H new ATOM 0 HB2 HIS A 51 2.958 -22.930 6.816 1.00 0.00 H new ATOM 0 HB3 HIS A 51 3.085 -24.230 5.649 1.00 0.00 H new ATOM 0 HD2 HIS A 51 5.024 -22.245 8.214 1.00 0.00 H new ATOM 0 HE1 HIS A 51 7.945 -25.009 6.805 1.00 0.00 H new ATOM 0 HE2 HIS A 51 7.359 -23.227 8.553 1.00 0.00 H new ATOM 797 N ILE A 52 1.266 -22.440 4.585 1.00 0.00 N ATOM 798 CA ILE A 52 -0.095 -21.872 4.392 1.00 0.00 C ATOM 799 C ILE A 52 -0.727 -21.568 5.749 1.00 0.00 C ATOM 800 O ILE A 52 -0.832 -22.421 6.608 1.00 0.00 O ATOM 801 CB ILE A 52 -0.968 -22.871 3.633 1.00 0.00 C ATOM 802 CG1 ILE A 52 -0.365 -23.124 2.249 1.00 0.00 C ATOM 803 CG2 ILE A 52 -2.376 -22.291 3.482 1.00 0.00 C ATOM 804 CD1 ILE A 52 -1.301 -24.021 1.437 1.00 0.00 C ATOM 0 H ILE A 52 1.309 -23.458 4.635 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.018 -20.949 3.817 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.017 -23.811 4.182 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.211 -22.178 1.730 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.612 -23.596 2.348 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -3.005 -22.998 2.941 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.802 -22.108 4.469 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.326 -21.353 2.928 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.870 -24.200 0.452 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -1.433 -24.972 1.954 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.269 -23.531 1.326 1.00 0.00 H new ATOM 816 N ARG A 53 -1.149 -20.352 5.941 1.00 0.00 N ATOM 817 CA ARG A 53 -1.780 -19.963 7.230 1.00 0.00 C ATOM 818 C ARG A 53 -3.250 -20.367 7.216 1.00 0.00 C ATOM 819 O ARG A 53 -3.752 -20.983 8.134 1.00 0.00 O ATOM 820 CB ARG A 53 -1.687 -18.445 7.390 1.00 0.00 C ATOM 821 CG ARG A 53 -2.295 -18.033 8.730 1.00 0.00 C ATOM 822 CD ARG A 53 -1.975 -16.562 9.011 1.00 0.00 C ATOM 823 NE ARG A 53 -2.613 -16.152 10.293 1.00 0.00 N ATOM 824 CZ ARG A 53 -2.828 -14.888 10.542 1.00 0.00 C ATOM 825 NH1 ARG A 53 -3.311 -14.112 9.610 1.00 0.00 N ATOM 826 NH2 ARG A 53 -2.563 -14.400 11.723 1.00 0.00 N ATOM 0 H ARG A 53 -1.083 -19.603 5.252 1.00 0.00 H new ATOM 0 HA ARG A 53 -1.268 -20.461 8.054 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -0.646 -18.127 7.338 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -2.212 -17.950 6.573 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -3.374 -18.183 8.712 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -1.899 -18.660 9.528 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -0.896 -16.418 9.067 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -2.339 -15.937 8.195 1.00 0.00 H new ATOM 0 HE ARG A 53 -2.882 -16.859 10.977 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -3.521 -14.493 8.687 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -3.479 -13.125 9.805 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -2.188 -15.006 12.453 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -2.731 -13.413 11.916 1.00 0.00 H new ATOM 840 N SER A 54 -3.941 -20.012 6.175 1.00 0.00 N ATOM 841 CA SER A 54 -5.384 -20.354 6.076 1.00 0.00 C ATOM 842 C SER A 54 -5.759 -20.507 4.604 1.00 0.00 C ATOM 843 O SER A 54 -5.329 -19.741 3.764 1.00 0.00 O ATOM 844 CB SER A 54 -6.211 -19.229 6.700 1.00 0.00 C ATOM 845 OG SER A 54 -6.433 -18.212 5.734 1.00 0.00 O ATOM 0 H SER A 54 -3.566 -19.495 5.380 1.00 0.00 H new ATOM 0 HA SER A 54 -5.583 -21.287 6.604 1.00 0.00 H new ATOM 0 HB2 SER A 54 -7.164 -19.619 7.058 1.00 0.00 H new ATOM 0 HB3 SER A 54 -5.690 -18.817 7.564 1.00 0.00 H new ATOM 0 HG SER A 54 -6.964 -17.492 6.133 1.00 0.00 H new ATOM 851 N THR A 55 -6.553 -21.487 4.278 1.00 0.00 N ATOM 852 CA THR A 55 -6.943 -21.675 2.855 1.00 0.00 C ATOM 853 C THR A 55 -7.687 -20.432 2.367 1.00 0.00 C ATOM 854 O THR A 55 -8.420 -19.803 3.106 1.00 0.00 O ATOM 855 CB THR A 55 -7.849 -22.902 2.726 1.00 0.00 C ATOM 856 OG1 THR A 55 -9.143 -22.587 3.219 1.00 0.00 O ATOM 857 CG2 THR A 55 -7.259 -24.059 3.534 1.00 0.00 C ATOM 0 H THR A 55 -6.947 -22.163 4.932 1.00 0.00 H new ATOM 0 HA THR A 55 -6.049 -21.826 2.249 1.00 0.00 H new ATOM 0 HB THR A 55 -7.922 -23.194 1.678 1.00 0.00 H new ATOM 0 HG1 THR A 55 -9.725 -23.371 3.135 1.00 0.00 H new ATOM 0 HG21 THR A 55 -7.904 -24.933 3.442 1.00 0.00 H new ATOM 0 HG22 THR A 55 -6.266 -24.299 3.154 1.00 0.00 H new ATOM 0 HG23 THR A 55 -7.186 -23.770 4.583 1.00 0.00 H new ATOM 865 N GLY A 56 -7.498 -20.069 1.130 1.00 0.00 N ATOM 866 CA GLY A 56 -8.184 -18.863 0.593 1.00 0.00 C ATOM 867 C GLY A 56 -7.317 -17.635 0.856 1.00 0.00 C ATOM 868 O GLY A 56 -6.440 -17.646 1.698 1.00 0.00 O ATOM 0 H GLY A 56 -6.896 -20.557 0.466 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -8.361 -18.976 -0.477 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -9.159 -18.743 1.066 1.00 0.00 H new ATOM 872 N LYS A 57 -7.556 -16.581 0.140 1.00 0.00 N ATOM 873 CA LYS A 57 -6.752 -15.344 0.337 1.00 0.00 C ATOM 874 C LYS A 57 -6.946 -14.834 1.767 1.00 0.00 C ATOM 875 O LYS A 57 -7.991 -15.010 2.362 1.00 0.00 O ATOM 876 CB LYS A 57 -7.210 -14.276 -0.655 1.00 0.00 C ATOM 877 CG LYS A 57 -6.465 -12.967 -0.385 1.00 0.00 C ATOM 878 CD LYS A 57 -6.868 -11.929 -1.433 1.00 0.00 C ATOM 879 CE LYS A 57 -5.869 -10.771 -1.418 1.00 0.00 C ATOM 880 NZ LYS A 57 -6.565 -9.520 -1.003 1.00 0.00 N ATOM 0 H LYS A 57 -8.277 -16.519 -0.579 1.00 0.00 H new ATOM 0 HA LYS A 57 -5.697 -15.563 0.170 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -7.021 -14.609 -1.676 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -8.285 -14.119 -0.565 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -6.700 -12.601 0.615 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -5.388 -13.135 -0.418 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -6.895 -12.387 -2.422 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -7.872 -11.559 -1.226 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -5.052 -10.990 -0.731 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -5.428 -10.644 -2.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -5.886 -8.732 -0.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -7.330 -9.309 -1.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -6.965 -9.645 -0.051 1.00 0.00 H new ATOM 894 N CYS A 58 -5.947 -14.208 2.323 1.00 0.00 N ATOM 895 CA CYS A 58 -6.075 -13.690 3.715 1.00 0.00 C ATOM 896 C CYS A 58 -6.842 -12.367 3.703 1.00 0.00 C ATOM 897 O CYS A 58 -6.726 -11.579 2.786 1.00 0.00 O ATOM 898 CB CYS A 58 -4.682 -13.469 4.306 1.00 0.00 C ATOM 899 SG CYS A 58 -4.523 -14.421 5.837 1.00 0.00 S ATOM 0 H CYS A 58 -5.048 -14.032 1.875 1.00 0.00 H new ATOM 0 HA CYS A 58 -6.617 -14.415 4.323 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -3.918 -13.777 3.592 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -4.523 -12.409 4.505 1.00 0.00 H new ATOM 904 N GLU A 59 -7.627 -12.119 4.716 1.00 0.00 N ATOM 905 CA GLU A 59 -8.403 -10.848 4.764 1.00 0.00 C ATOM 906 C GLU A 59 -7.550 -9.750 5.403 1.00 0.00 C ATOM 907 O GLU A 59 -7.050 -9.974 6.493 1.00 0.00 O ATOM 908 CB GLU A 59 -9.671 -11.057 5.593 1.00 0.00 C ATOM 909 CG GLU A 59 -10.528 -12.145 4.947 1.00 0.00 C ATOM 910 CD GLU A 59 -11.809 -12.337 5.761 1.00 0.00 C ATOM 911 OE1 GLU A 59 -11.886 -11.783 6.845 1.00 0.00 O ATOM 912 OE2 GLU A 59 -12.691 -13.033 5.287 1.00 0.00 O ATOM 913 OXT GLU A 59 -7.411 -8.703 4.791 1.00 0.00 O ATOM 0 H GLU A 59 -7.764 -12.742 5.512 1.00 0.00 H new ATOM 0 HA GLU A 59 -8.675 -10.551 3.751 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -9.409 -11.342 6.612 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -10.234 -10.126 5.657 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -10.774 -11.868 3.922 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -9.971 -13.081 4.899 1.00 0.00 H new TER 920 GLU A 59