USER MOD reduce.3.24.130724 H: found=0, std=0, add=358, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 354 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 18 TYR OH : rot 26:sc= 1.27 USER MOD Set 1.2: A 43 TYR OH : rot -87:sc= 0.0051 USER MOD Set 1.3: A 47 HIS : no HE2:sc= 0.655 K(o=1.9,f=-4.1!) USER MOD Single : A 1 SER N :NH3+ -130:sc= 0.18 (180deg=0.000738) USER MOD Single : A 1 SER OG : rot 180:sc= 0.112 USER MOD Single : A 11 MET CE :methyl -127:sc= -2.9 (180deg=-2.98) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.00778 USER MOD Single : A 13 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 LYS NZ :NH3+ 168:sc=-0.000745 (180deg=-0.0996) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -0.505 X(o=-0.51,f=-0.081) USER MOD Single : A 24 ASN : amide:sc= -0.133 K(o=-0.13,f=-1.9!) USER MOD Single : A 29 GLN :FLIP amide:sc= -0.585 F(o=-1.5,f=-0.59) USER MOD Single : A 40 ASN : amide:sc= -0.487 K(o=-0.49,f=-6.9!) USER MOD Single : A 44 THR OG1 : rot 76:sc= 1.31 USER MOD Single : A 50 GLN : amide:sc= -0.144 X(o=-0.14,f=-0.14) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -0.649 -0.815 0.446 1.00 0.00 N ATOM 2 CA SER A 1 -0.152 -1.437 -0.776 1.00 0.00 C ATOM 3 C SER A 1 0.192 -2.904 -0.537 1.00 0.00 C ATOM 4 O SER A 1 0.444 -3.317 0.594 1.00 0.00 O ATOM 5 CB SER A 1 1.080 -0.690 -1.290 1.00 0.00 C ATOM 6 OG SER A 1 1.909 -0.275 -0.218 1.00 0.00 O ATOM 0 H1 SER A 1 -1.539 -0.316 0.244 1.00 0.00 H new ATOM 0 H2 SER A 1 -0.818 -1.548 1.164 1.00 0.00 H new ATOM 0 H3 SER A 1 0.055 -0.137 0.802 1.00 0.00 H new ATOM 0 HA SER A 1 -0.940 -1.384 -1.528 1.00 0.00 H new ATOM 0 HB2 SER A 1 1.646 -1.335 -1.963 1.00 0.00 H new ATOM 0 HB3 SER A 1 0.767 0.179 -1.869 1.00 0.00 H new ATOM 0 HG SER A 1 2.690 0.198 -0.573 1.00 0.00 H new ATOM 12 N GLU A 2 0.200 -3.686 -1.613 1.00 0.00 N ATOM 13 CA GLU A 2 0.511 -5.108 -1.520 1.00 0.00 C ATOM 14 C GLU A 2 1.356 -5.558 -2.709 1.00 0.00 C ATOM 15 O GLU A 2 1.404 -4.904 -3.751 1.00 0.00 O ATOM 16 CB GLU A 2 -0.776 -5.931 -1.454 1.00 0.00 C ATOM 17 CG GLU A 2 -1.308 -6.118 -0.043 1.00 0.00 C ATOM 18 CD GLU A 2 -0.898 -7.445 0.564 1.00 0.00 C ATOM 19 OE1 GLU A 2 -1.645 -8.431 0.392 1.00 0.00 O ATOM 20 OE2 GLU A 2 0.168 -7.499 1.212 1.00 0.00 O ATOM 0 H GLU A 2 -0.005 -3.359 -2.557 1.00 0.00 H new ATOM 0 HA GLU A 2 1.084 -5.270 -0.607 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -1.540 -5.444 -2.060 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -0.594 -6.910 -1.897 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -0.946 -5.307 0.588 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -2.396 -6.050 -0.057 1.00 0.00 H new ATOM 27 N PRO A 3 2.038 -6.702 -2.551 1.00 0.00 N ATOM 28 CA PRO A 3 2.892 -7.266 -3.600 1.00 0.00 C ATOM 29 C PRO A 3 2.086 -7.796 -4.781 1.00 0.00 C ATOM 30 O PRO A 3 0.864 -7.925 -4.703 1.00 0.00 O ATOM 31 CB PRO A 3 3.616 -8.413 -2.889 1.00 0.00 C ATOM 32 CG PRO A 3 2.708 -8.800 -1.773 1.00 0.00 C ATOM 33 CD PRO A 3 2.027 -7.533 -1.335 1.00 0.00 C ATOM 0 HA PRO A 3 3.562 -6.519 -4.026 1.00 0.00 H new ATOM 0 HB2 PRO A 3 3.791 -9.250 -3.565 1.00 0.00 H new ATOM 0 HB3 PRO A 3 4.590 -8.096 -2.515 1.00 0.00 H new ATOM 0 HG2 PRO A 3 1.979 -9.541 -2.102 1.00 0.00 H new ATOM 0 HG3 PRO A 3 3.268 -9.246 -0.951 1.00 0.00 H new ATOM 0 HD2 PRO A 3 1.012 -7.722 -0.987 1.00 0.00 H new ATOM 0 HD3 PRO A 3 2.561 -7.053 -0.515 1.00 0.00 H new ATOM 41 N ASP A 4 2.778 -8.102 -5.873 1.00 0.00 N ATOM 42 CA ASP A 4 2.126 -8.618 -7.071 1.00 0.00 C ATOM 43 C ASP A 4 2.462 -10.091 -7.281 1.00 0.00 C ATOM 44 O ASP A 4 1.670 -10.842 -7.849 1.00 0.00 O ATOM 45 CB ASP A 4 2.548 -7.807 -8.297 1.00 0.00 C ATOM 46 CG ASP A 4 4.027 -7.472 -8.289 1.00 0.00 C ATOM 47 OD1 ASP A 4 4.848 -8.413 -8.283 1.00 0.00 O ATOM 48 OD2 ASP A 4 4.363 -6.270 -8.289 1.00 0.00 O ATOM 0 H ASP A 4 3.790 -8.002 -5.953 1.00 0.00 H new ATOM 0 HA ASP A 4 1.048 -8.525 -6.936 1.00 0.00 H new ATOM 0 HB2 ASP A 4 2.311 -8.369 -9.200 1.00 0.00 H new ATOM 0 HB3 ASP A 4 1.970 -6.884 -8.335 1.00 0.00 H new ATOM 53 N GLU A 5 3.640 -10.496 -6.818 1.00 0.00 N ATOM 54 CA GLU A 5 4.081 -11.879 -6.957 1.00 0.00 C ATOM 55 C GLU A 5 3.133 -12.828 -6.228 1.00 0.00 C ATOM 56 O GLU A 5 3.020 -14.002 -6.582 1.00 0.00 O ATOM 57 CB GLU A 5 5.501 -12.042 -6.412 1.00 0.00 C ATOM 58 CG GLU A 5 6.505 -11.085 -7.033 1.00 0.00 C ATOM 59 CD GLU A 5 6.996 -11.552 -8.389 1.00 0.00 C ATOM 60 OE1 GLU A 5 7.489 -12.696 -8.478 1.00 0.00 O ATOM 61 OE2 GLU A 5 6.888 -10.775 -9.360 1.00 0.00 O ATOM 0 H GLU A 5 4.306 -9.886 -6.344 1.00 0.00 H new ATOM 0 HA GLU A 5 4.075 -12.130 -8.018 1.00 0.00 H new ATOM 0 HB2 GLU A 5 5.487 -11.890 -5.333 1.00 0.00 H new ATOM 0 HB3 GLU A 5 5.832 -13.066 -6.585 1.00 0.00 H new ATOM 0 HG2 GLU A 5 6.047 -10.101 -7.136 1.00 0.00 H new ATOM 0 HG3 GLU A 5 7.356 -10.972 -6.362 1.00 0.00 H new ATOM 68 N ILE A 6 2.455 -12.310 -5.210 1.00 0.00 N ATOM 69 CA ILE A 6 1.517 -13.110 -4.432 1.00 0.00 C ATOM 70 C ILE A 6 0.237 -13.374 -5.218 1.00 0.00 C ATOM 71 O ILE A 6 -0.417 -14.401 -5.034 1.00 0.00 O ATOM 72 CB ILE A 6 1.156 -12.421 -3.103 1.00 0.00 C ATOM 73 CG1 ILE A 6 2.424 -12.112 -2.303 1.00 0.00 C ATOM 74 CG2 ILE A 6 0.212 -13.295 -2.292 1.00 0.00 C ATOM 75 CD1 ILE A 6 3.235 -13.342 -1.959 1.00 0.00 C ATOM 0 H ILE A 6 2.537 -11.340 -4.905 1.00 0.00 H new ATOM 0 HA ILE A 6 2.012 -14.057 -4.218 1.00 0.00 H new ATOM 0 HB ILE A 6 0.650 -11.481 -3.324 1.00 0.00 H new ATOM 0 HG12 ILE A 6 3.047 -11.424 -2.875 1.00 0.00 H new ATOM 0 HG13 ILE A 6 2.147 -11.600 -1.382 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -0.034 -12.794 -1.356 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -0.701 -13.469 -2.861 1.00 0.00 H new ATOM 0 HG23 ILE A 6 0.693 -14.249 -2.078 1.00 0.00 H new ATOM 0 HD11 ILE A 6 4.119 -13.048 -1.392 1.00 0.00 H new ATOM 0 HD12 ILE A 6 2.629 -14.022 -1.360 1.00 0.00 H new ATOM 0 HD13 ILE A 6 3.543 -13.843 -2.877 1.00 0.00 H new ATOM 87 N CYS A 7 -0.115 -12.441 -6.096 1.00 0.00 N ATOM 88 CA CYS A 7 -1.316 -12.571 -6.912 1.00 0.00 C ATOM 89 C CYS A 7 -1.095 -13.563 -8.051 1.00 0.00 C ATOM 90 O CYS A 7 -1.963 -14.383 -8.351 1.00 0.00 O ATOM 91 CB CYS A 7 -1.724 -11.210 -7.478 1.00 0.00 C ATOM 92 SG CYS A 7 -2.584 -10.135 -6.285 1.00 0.00 S ATOM 0 H CYS A 7 0.415 -11.585 -6.261 1.00 0.00 H new ATOM 0 HA CYS A 7 -2.118 -12.947 -6.276 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -0.832 -10.696 -7.837 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -2.371 -11.367 -8.341 1.00 0.00 H new ATOM 97 N ARG A 8 0.073 -13.481 -8.681 1.00 0.00 N ATOM 98 CA ARG A 8 0.408 -14.370 -9.787 1.00 0.00 C ATOM 99 C ARG A 8 0.797 -15.753 -9.274 1.00 0.00 C ATOM 100 O ARG A 8 0.704 -16.743 -9.999 1.00 0.00 O ATOM 101 CB ARG A 8 1.552 -13.780 -10.614 1.00 0.00 C ATOM 102 CG ARG A 8 2.886 -13.768 -9.885 1.00 0.00 C ATOM 103 CD ARG A 8 3.888 -14.706 -10.542 1.00 0.00 C ATOM 104 NE ARG A 8 5.247 -14.175 -10.494 1.00 0.00 N ATOM 105 CZ ARG A 8 6.322 -14.873 -10.843 1.00 0.00 C ATOM 106 NH1 ARG A 8 6.196 -16.124 -11.264 1.00 0.00 N ATOM 107 NH2 ARG A 8 7.526 -14.320 -10.773 1.00 0.00 N ATOM 0 H ARG A 8 0.802 -12.808 -8.444 1.00 0.00 H new ATOM 0 HA ARG A 8 -0.474 -14.471 -10.419 1.00 0.00 H new ATOM 0 HB2 ARG A 8 1.656 -14.353 -11.536 1.00 0.00 H new ATOM 0 HB3 ARG A 8 1.294 -12.760 -10.900 1.00 0.00 H new ATOM 0 HG2 ARG A 8 3.287 -12.755 -9.875 1.00 0.00 H new ATOM 0 HG3 ARG A 8 2.737 -14.063 -8.846 1.00 0.00 H new ATOM 0 HD2 ARG A 8 3.859 -15.674 -10.043 1.00 0.00 H new ATOM 0 HD3 ARG A 8 3.601 -14.874 -11.580 1.00 0.00 H new ATOM 0 HE ARG A 8 5.378 -13.215 -10.175 1.00 0.00 H new ATOM 0 HH11 ARG A 8 5.272 -16.552 -11.320 1.00 0.00 H new ATOM 0 HH12 ARG A 8 7.023 -16.658 -11.531 1.00 0.00 H new ATOM 0 HH21 ARG A 8 7.627 -13.358 -10.451 1.00 0.00 H new ATOM 0 HH22 ARG A 8 8.350 -14.857 -11.041 1.00 0.00 H new ATOM 121 N ALA A 9 1.232 -15.813 -8.020 1.00 0.00 N ATOM 122 CA ALA A 9 1.632 -17.074 -7.409 1.00 0.00 C ATOM 123 C ALA A 9 0.418 -17.938 -7.086 1.00 0.00 C ATOM 124 O ALA A 9 0.496 -19.166 -7.101 1.00 0.00 O ATOM 125 CB ALA A 9 2.448 -16.816 -6.151 1.00 0.00 C ATOM 0 H ALA A 9 1.316 -15.002 -7.407 1.00 0.00 H new ATOM 0 HA ALA A 9 2.250 -17.615 -8.125 1.00 0.00 H new ATOM 0 HB1 ALA A 9 2.740 -17.767 -5.705 1.00 0.00 H new ATOM 0 HB2 ALA A 9 3.341 -16.246 -6.407 1.00 0.00 H new ATOM 0 HB3 ALA A 9 1.848 -16.250 -5.438 1.00 0.00 H new ATOM 131 N ARG A 10 -0.704 -17.288 -6.795 1.00 0.00 N ATOM 132 CA ARG A 10 -1.935 -17.997 -6.466 1.00 0.00 C ATOM 133 C ARG A 10 -2.539 -18.643 -7.709 1.00 0.00 C ATOM 134 O ARG A 10 -3.187 -19.686 -7.625 1.00 0.00 O ATOM 135 CB ARG A 10 -2.946 -17.039 -5.833 1.00 0.00 C ATOM 136 CG ARG A 10 -2.618 -16.669 -4.396 1.00 0.00 C ATOM 137 CD ARG A 10 -3.029 -17.769 -3.429 1.00 0.00 C ATOM 138 NE ARG A 10 -3.099 -17.289 -2.052 1.00 0.00 N ATOM 139 CZ ARG A 10 -4.117 -16.585 -1.569 1.00 0.00 C ATOM 140 NH1 ARG A 10 -5.146 -16.282 -2.349 1.00 0.00 N ATOM 141 NH2 ARG A 10 -4.108 -16.184 -0.305 1.00 0.00 N ATOM 0 H ARG A 10 -0.786 -16.271 -6.780 1.00 0.00 H new ATOM 0 HA ARG A 10 -1.692 -18.783 -5.751 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -2.995 -16.129 -6.431 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -3.935 -17.495 -5.865 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -1.548 -16.482 -4.303 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -3.128 -15.742 -4.132 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -4.000 -18.167 -3.724 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -2.316 -18.591 -3.491 1.00 0.00 H new ATOM 0 HE ARG A 10 -2.323 -17.506 -1.426 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -5.157 -16.590 -3.321 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -5.927 -15.741 -1.976 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -3.319 -16.416 0.298 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -4.890 -15.644 0.064 1.00 0.00 H new ATOM 155 N MET A 11 -2.322 -18.016 -8.860 1.00 0.00 N ATOM 156 CA MET A 11 -2.844 -18.532 -10.121 1.00 0.00 C ATOM 157 C MET A 11 -1.752 -19.251 -10.907 1.00 0.00 C ATOM 158 O MET A 11 -0.568 -19.144 -10.586 1.00 0.00 O ATOM 159 CB MET A 11 -3.427 -17.393 -10.960 1.00 0.00 C ATOM 160 CG MET A 11 -2.373 -16.465 -11.541 1.00 0.00 C ATOM 161 SD MET A 11 -2.974 -14.778 -11.753 1.00 0.00 S ATOM 162 CE MET A 11 -4.556 -15.078 -12.538 1.00 0.00 C ATOM 0 H MET A 11 -1.789 -17.151 -8.946 1.00 0.00 H new ATOM 0 HA MET A 11 -3.634 -19.247 -9.894 1.00 0.00 H new ATOM 0 HB2 MET A 11 -4.015 -17.817 -11.774 1.00 0.00 H new ATOM 0 HB3 MET A 11 -4.111 -16.811 -10.342 1.00 0.00 H new ATOM 0 HG2 MET A 11 -1.501 -16.457 -10.887 1.00 0.00 H new ATOM 0 HG3 MET A 11 -2.044 -16.853 -12.505 1.00 0.00 H new ATOM 0 HE1 MET A 11 -4.623 -14.495 -13.456 1.00 0.00 H new ATOM 0 HE2 MET A 11 -4.650 -16.138 -12.774 1.00 0.00 H new ATOM 0 HE3 MET A 11 -5.359 -14.784 -11.862 1.00 0.00 H new ATOM 172 N THR A 12 -2.158 -19.983 -11.940 1.00 0.00 N ATOM 173 CA THR A 12 -1.215 -20.720 -12.771 1.00 0.00 C ATOM 174 C THR A 12 -0.793 -19.900 -13.985 1.00 0.00 C ATOM 175 O THR A 12 -1.299 -18.800 -14.209 1.00 0.00 O ATOM 176 CB THR A 12 -1.814 -22.056 -13.251 1.00 0.00 C ATOM 177 OG1 THR A 12 -2.995 -21.813 -14.024 1.00 0.00 O ATOM 178 CG2 THR A 12 -2.149 -22.954 -12.070 1.00 0.00 C ATOM 0 H THR A 12 -3.134 -20.081 -12.221 1.00 0.00 H new ATOM 0 HA THR A 12 -0.341 -20.923 -12.152 1.00 0.00 H new ATOM 0 HB THR A 12 -1.073 -22.560 -13.871 1.00 0.00 H new ATOM 0 HG1 THR A 12 -3.369 -22.667 -14.327 1.00 0.00 H new ATOM 0 HG21 THR A 12 -2.570 -23.891 -12.434 1.00 0.00 H new ATOM 0 HG22 THR A 12 -1.242 -23.160 -11.501 1.00 0.00 H new ATOM 0 HG23 THR A 12 -2.875 -22.455 -11.428 1.00 0.00 H new ATOM 186 N HIS A 13 0.136 -20.442 -14.766 1.00 0.00 N ATOM 187 CA HIS A 13 0.625 -19.759 -15.959 1.00 0.00 C ATOM 188 C HIS A 13 -0.502 -19.552 -16.967 1.00 0.00 C ATOM 189 O HIS A 13 -0.637 -18.477 -17.552 1.00 0.00 O ATOM 190 CB HIS A 13 1.759 -20.558 -16.600 1.00 0.00 C ATOM 191 CG HIS A 13 2.947 -20.736 -15.705 1.00 0.00 C ATOM 192 ND1 HIS A 13 3.582 -21.947 -15.530 1.00 0.00 N ATOM 193 CD2 HIS A 13 3.616 -19.846 -14.935 1.00 0.00 C ATOM 194 CE1 HIS A 13 4.590 -21.795 -14.689 1.00 0.00 C ATOM 195 NE2 HIS A 13 4.632 -20.530 -14.313 1.00 0.00 N ATOM 0 H HIS A 13 0.565 -21.351 -14.595 1.00 0.00 H new ATOM 0 HA HIS A 13 1.004 -18.782 -15.659 1.00 0.00 H new ATOM 0 HB2 HIS A 13 1.383 -21.539 -16.890 1.00 0.00 H new ATOM 0 HB3 HIS A 13 2.075 -20.055 -17.514 1.00 0.00 H new ATOM 0 HD2 HIS A 13 3.393 -18.795 -14.829 1.00 0.00 H new ATOM 0 HE1 HIS A 13 5.265 -22.573 -14.364 1.00 0.00 H new ATOM 0 HE2 HIS A 13 5.309 -20.126 -13.666 1.00 0.00 H new ATOM 203 N LYS A 14 -1.307 -20.590 -17.167 1.00 0.00 N ATOM 204 CA LYS A 14 -2.423 -20.524 -18.104 1.00 0.00 C ATOM 205 C LYS A 14 -3.488 -19.548 -17.614 1.00 0.00 C ATOM 206 O LYS A 14 -4.095 -18.829 -18.406 1.00 0.00 O ATOM 207 CB LYS A 14 -3.037 -21.912 -18.297 1.00 0.00 C ATOM 208 CG LYS A 14 -4.328 -21.900 -19.097 1.00 0.00 C ATOM 209 CD LYS A 14 -4.101 -21.402 -20.514 1.00 0.00 C ATOM 210 CE LYS A 14 -5.403 -21.334 -21.297 1.00 0.00 C ATOM 211 NZ LYS A 14 -5.856 -22.683 -21.738 1.00 0.00 N ATOM 0 H LYS A 14 -1.208 -21.487 -16.693 1.00 0.00 H new ATOM 0 HA LYS A 14 -2.041 -20.167 -19.060 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -2.313 -22.553 -18.800 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -3.229 -22.354 -17.319 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -4.748 -22.905 -19.127 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -5.060 -21.263 -18.599 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -3.641 -20.414 -20.484 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -3.402 -22.064 -21.026 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -6.175 -20.876 -20.679 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -5.270 -20.693 -22.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -6.746 -22.594 -22.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -5.131 -23.110 -22.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -6.008 -23.288 -20.905 1.00 0.00 H new ATOM 225 N GLU A 15 -3.708 -19.529 -16.303 1.00 0.00 N ATOM 226 CA GLU A 15 -4.700 -18.641 -15.708 1.00 0.00 C ATOM 227 C GLU A 15 -4.299 -17.179 -15.889 1.00 0.00 C ATOM 228 O GLU A 15 -5.134 -16.327 -16.192 1.00 0.00 O ATOM 229 CB GLU A 15 -4.871 -18.953 -14.220 1.00 0.00 C ATOM 230 CG GLU A 15 -6.164 -18.417 -13.630 1.00 0.00 C ATOM 231 CD GLU A 15 -6.560 -19.127 -12.351 1.00 0.00 C ATOM 232 OE1 GLU A 15 -5.701 -19.819 -11.765 1.00 0.00 O ATOM 233 OE2 GLU A 15 -7.730 -18.991 -11.935 1.00 0.00 O ATOM 0 H GLU A 15 -3.213 -20.118 -15.633 1.00 0.00 H new ATOM 0 HA GLU A 15 -5.649 -18.806 -16.217 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -4.837 -20.033 -14.078 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -4.029 -18.532 -13.670 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -6.053 -17.351 -13.430 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -6.964 -18.523 -14.362 1.00 0.00 H new ATOM 240 N PHE A 16 -3.014 -16.897 -15.702 1.00 0.00 N ATOM 241 CA PHE A 16 -2.501 -15.539 -15.843 1.00 0.00 C ATOM 242 C PHE A 16 -2.702 -15.027 -17.266 1.00 0.00 C ATOM 243 O PHE A 16 -2.973 -13.846 -17.479 1.00 0.00 O ATOM 244 CB PHE A 16 -1.016 -15.492 -15.478 1.00 0.00 C ATOM 245 CG PHE A 16 -0.506 -14.103 -15.219 1.00 0.00 C ATOM 246 CD1 PHE A 16 -0.361 -13.199 -16.259 1.00 0.00 C ATOM 247 CD2 PHE A 16 -0.172 -13.701 -13.936 1.00 0.00 C ATOM 248 CE1 PHE A 16 0.108 -11.921 -16.024 1.00 0.00 C ATOM 249 CE2 PHE A 16 0.298 -12.424 -13.694 1.00 0.00 C ATOM 250 CZ PHE A 16 0.437 -11.532 -14.740 1.00 0.00 C ATOM 0 H PHE A 16 -2.309 -17.590 -15.453 1.00 0.00 H new ATOM 0 HA PHE A 16 -3.057 -14.895 -15.162 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -0.849 -16.103 -14.591 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -0.437 -15.938 -16.287 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -0.618 -13.497 -17.265 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -0.280 -14.394 -13.115 1.00 0.00 H new ATOM 0 HE1 PHE A 16 0.217 -11.226 -16.844 1.00 0.00 H new ATOM 0 HE2 PHE A 16 0.556 -12.124 -12.689 1.00 0.00 H new ATOM 0 HZ PHE A 16 0.802 -10.533 -14.554 1.00 0.00 H new ATOM 260 N ASN A 17 -2.567 -15.925 -18.237 1.00 0.00 N ATOM 261 CA ASN A 17 -2.733 -15.564 -19.640 1.00 0.00 C ATOM 262 C ASN A 17 -4.190 -15.231 -19.947 1.00 0.00 C ATOM 263 O ASN A 17 -4.485 -14.223 -20.590 1.00 0.00 O ATOM 264 CB ASN A 17 -2.259 -16.707 -20.541 1.00 0.00 C ATOM 265 CG ASN A 17 -2.339 -16.352 -22.013 1.00 0.00 C ATOM 266 OD1 ASN A 17 -3.294 -16.716 -22.700 1.00 0.00 O ATOM 267 ND2 ASN A 17 -1.332 -15.639 -22.506 1.00 0.00 N ATOM 0 H ASN A 17 -2.343 -16.907 -18.078 1.00 0.00 H new ATOM 0 HA ASN A 17 -2.127 -14.679 -19.836 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -1.231 -16.964 -20.287 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -2.865 -17.592 -20.350 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -1.330 -15.372 -23.490 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -0.561 -15.359 -21.900 1.00 0.00 H new ATOM 274 N TYR A 18 -5.097 -16.083 -19.482 1.00 0.00 N ATOM 275 CA TYR A 18 -6.523 -15.880 -19.709 1.00 0.00 C ATOM 276 C TYR A 18 -6.971 -14.520 -19.181 1.00 0.00 C ATOM 277 O TYR A 18 -7.559 -13.721 -19.910 1.00 0.00 O ATOM 278 CB TYR A 18 -7.331 -16.991 -19.037 1.00 0.00 C ATOM 279 CG TYR A 18 -8.823 -16.747 -19.048 1.00 0.00 C ATOM 280 CD1 TYR A 18 -9.438 -16.037 -18.025 1.00 0.00 C ATOM 281 CD2 TYR A 18 -9.617 -17.226 -20.082 1.00 0.00 C ATOM 282 CE1 TYR A 18 -10.801 -15.812 -18.030 1.00 0.00 C ATOM 283 CE2 TYR A 18 -10.981 -17.005 -20.097 1.00 0.00 C ATOM 284 CZ TYR A 18 -11.568 -16.298 -19.068 1.00 0.00 C ATOM 285 OH TYR A 18 -12.926 -16.074 -19.078 1.00 0.00 O ATOM 0 H TYR A 18 -4.870 -16.921 -18.946 1.00 0.00 H new ATOM 0 HA TYR A 18 -6.701 -15.909 -20.784 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -7.122 -17.935 -19.540 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -6.997 -17.098 -18.005 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -8.840 -15.654 -17.211 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -9.160 -17.781 -20.888 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -11.263 -15.259 -17.226 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -11.584 -17.383 -20.909 1.00 0.00 H new ATOM 0 HH TYR A 18 -13.127 -15.258 -18.574 1.00 0.00 H new ATOM 295 N LYS A 19 -6.687 -14.265 -17.909 1.00 0.00 N ATOM 296 CA LYS A 19 -7.058 -13.002 -17.280 1.00 0.00 C ATOM 297 C LYS A 19 -6.510 -11.819 -18.072 1.00 0.00 C ATOM 298 O LYS A 19 -7.244 -10.888 -18.403 1.00 0.00 O ATOM 299 CB LYS A 19 -6.537 -12.952 -15.842 1.00 0.00 C ATOM 300 CG LYS A 19 -7.107 -14.043 -14.951 1.00 0.00 C ATOM 301 CD LYS A 19 -8.609 -13.894 -14.778 1.00 0.00 C ATOM 302 CE LYS A 19 -9.147 -14.856 -13.730 1.00 0.00 C ATOM 303 NZ LYS A 19 -8.742 -14.460 -12.353 1.00 0.00 N ATOM 0 H LYS A 19 -6.201 -14.916 -17.292 1.00 0.00 H new ATOM 0 HA LYS A 19 -8.146 -12.936 -17.268 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -5.450 -13.036 -15.855 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -6.777 -11.980 -15.411 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -6.885 -15.019 -15.382 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -6.622 -14.007 -13.975 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -8.843 -12.870 -14.488 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -9.106 -14.077 -15.731 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -10.235 -14.890 -13.793 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -8.784 -15.862 -13.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -9.287 -15.011 -11.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -7.727 -14.646 -12.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -8.929 -13.446 -12.214 1.00 0.00 H new ATOM 317 N SER A 20 -5.216 -11.863 -18.373 1.00 0.00 N ATOM 318 CA SER A 20 -4.569 -10.793 -19.124 1.00 0.00 C ATOM 319 C SER A 20 -5.234 -10.607 -20.485 1.00 0.00 C ATOM 320 O SER A 20 -5.435 -9.482 -20.940 1.00 0.00 O ATOM 321 CB SER A 20 -3.081 -11.098 -19.309 1.00 0.00 C ATOM 322 OG SER A 20 -2.470 -10.154 -20.171 1.00 0.00 O ATOM 0 H SER A 20 -4.595 -12.628 -18.108 1.00 0.00 H new ATOM 0 HA SER A 20 -4.675 -9.868 -18.557 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.581 -11.087 -18.340 1.00 0.00 H new ATOM 0 HB3 SER A 20 -2.960 -12.101 -19.719 1.00 0.00 H new ATOM 0 HG SER A 20 -1.519 -10.370 -20.272 1.00 0.00 H new ATOM 328 N ASN A 21 -5.573 -11.719 -21.129 1.00 0.00 N ATOM 329 CA ASN A 21 -6.214 -11.679 -22.438 1.00 0.00 C ATOM 330 C ASN A 21 -7.486 -10.838 -22.395 1.00 0.00 C ATOM 331 O ASN A 21 -7.711 -9.988 -23.257 1.00 0.00 O ATOM 332 CB ASN A 21 -6.542 -13.097 -22.911 1.00 0.00 C ATOM 333 CG ASN A 21 -7.187 -13.113 -24.284 1.00 0.00 C ATOM 334 OD1 ASN A 21 -6.518 -13.334 -25.293 1.00 0.00 O ATOM 335 ND2 ASN A 21 -8.493 -12.879 -24.327 1.00 0.00 N ATOM 0 H ASN A 21 -5.414 -12.659 -20.766 1.00 0.00 H new ATOM 0 HA ASN A 21 -5.520 -11.220 -23.142 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -5.628 -13.690 -22.935 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -7.211 -13.571 -22.193 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -8.982 -12.878 -25.222 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -9.008 -12.701 -23.465 1.00 0.00 H new ATOM 342 N VAL A 22 -8.316 -11.081 -21.385 1.00 0.00 N ATOM 343 CA VAL A 22 -9.566 -10.346 -21.229 1.00 0.00 C ATOM 344 C VAL A 22 -9.305 -8.898 -20.831 1.00 0.00 C ATOM 345 O VAL A 22 -10.026 -7.989 -21.245 1.00 0.00 O ATOM 346 CB VAL A 22 -10.473 -11.001 -20.171 1.00 0.00 C ATOM 347 CG1 VAL A 22 -11.838 -10.330 -20.149 1.00 0.00 C ATOM 348 CG2 VAL A 22 -10.608 -12.493 -20.436 1.00 0.00 C ATOM 0 H VAL A 22 -8.145 -11.781 -20.663 1.00 0.00 H new ATOM 0 HA VAL A 22 -10.070 -10.370 -22.195 1.00 0.00 H new ATOM 0 HB VAL A 22 -10.014 -10.869 -19.191 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -12.465 -10.806 -19.395 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -11.720 -9.273 -19.908 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -12.308 -10.429 -21.128 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -11.252 -12.940 -19.679 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -11.045 -12.649 -21.422 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -9.624 -12.960 -20.397 1.00 0.00 H new ATOM 358 N CYS A 23 -8.269 -8.688 -20.026 1.00 0.00 N ATOM 359 CA CYS A 23 -7.910 -7.350 -19.573 1.00 0.00 C ATOM 360 C CYS A 23 -7.726 -6.405 -20.757 1.00 0.00 C ATOM 361 O CYS A 23 -8.243 -5.289 -20.761 1.00 0.00 O ATOM 362 CB CYS A 23 -6.628 -7.397 -18.740 1.00 0.00 C ATOM 363 SG CYS A 23 -6.884 -7.907 -17.010 1.00 0.00 S ATOM 0 H CYS A 23 -7.663 -9.429 -19.674 1.00 0.00 H new ATOM 0 HA CYS A 23 -8.724 -6.974 -18.954 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -5.927 -8.086 -19.211 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -6.163 -6.411 -18.752 1.00 0.00 H new ATOM 368 N ASN A 24 -6.985 -6.863 -21.761 1.00 0.00 N ATOM 369 CA ASN A 24 -6.732 -6.059 -22.952 1.00 0.00 C ATOM 370 C ASN A 24 -8.026 -5.793 -23.714 1.00 0.00 C ATOM 371 O ASN A 24 -8.083 -4.918 -24.577 1.00 0.00 O ATOM 372 CB ASN A 24 -5.726 -6.765 -23.864 1.00 0.00 C ATOM 373 CG ASN A 24 -4.918 -5.789 -24.698 1.00 0.00 C ATOM 374 OD1 ASN A 24 -4.729 -4.635 -24.313 1.00 0.00 O ATOM 375 ND2 ASN A 24 -4.438 -6.249 -25.847 1.00 0.00 N ATOM 0 H ASN A 24 -6.550 -7.785 -21.774 1.00 0.00 H new ATOM 0 HA ASN A 24 -6.316 -5.103 -22.633 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -5.050 -7.367 -23.257 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -6.257 -7.450 -24.525 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -3.888 -5.638 -26.451 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -4.620 -7.213 -26.126 1.00 0.00 H new ATOM 382 N GLY A 25 -9.066 -6.555 -23.387 1.00 0.00 N ATOM 383 CA GLY A 25 -10.347 -6.384 -24.048 1.00 0.00 C ATOM 384 C GLY A 25 -11.221 -5.353 -23.361 1.00 0.00 C ATOM 385 O GLY A 25 -11.989 -4.646 -24.013 1.00 0.00 O ATOM 0 H GLY A 25 -9.044 -7.287 -22.677 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -10.181 -6.084 -25.083 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -10.870 -7.340 -24.073 1.00 0.00 H new ATOM 389 N CYS A 26 -11.106 -5.269 -22.040 1.00 0.00 N ATOM 390 CA CYS A 26 -11.892 -4.318 -21.263 1.00 0.00 C ATOM 391 C CYS A 26 -11.802 -2.918 -21.863 1.00 0.00 C ATOM 392 O CYS A 26 -12.735 -2.124 -21.755 1.00 0.00 O ATOM 393 CB CYS A 26 -11.411 -4.294 -19.810 1.00 0.00 C ATOM 394 SG CYS A 26 -12.302 -3.108 -18.752 1.00 0.00 S ATOM 0 H CYS A 26 -10.476 -5.848 -21.485 1.00 0.00 H new ATOM 0 HA CYS A 26 -12.933 -4.639 -21.289 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -11.517 -5.293 -19.387 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -10.348 -4.052 -19.794 1.00 0.00 H new ATOM 399 N GLY A 27 -10.671 -2.624 -22.498 1.00 0.00 N ATOM 400 CA GLY A 27 -10.479 -1.321 -23.106 1.00 0.00 C ATOM 401 C GLY A 27 -9.146 -0.700 -22.739 1.00 0.00 C ATOM 402 O GLY A 27 -8.119 -1.379 -22.730 1.00 0.00 O ATOM 0 H GLY A 27 -9.885 -3.265 -22.602 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -10.546 -1.416 -24.190 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -11.284 -0.656 -22.794 1.00 0.00 H new ATOM 406 N ASP A 28 -9.160 0.594 -22.437 1.00 0.00 N ATOM 407 CA ASP A 28 -7.943 1.306 -22.067 1.00 0.00 C ATOM 408 C ASP A 28 -7.780 1.351 -20.551 1.00 0.00 C ATOM 409 O ASP A 28 -7.124 2.244 -20.015 1.00 0.00 O ATOM 410 CB ASP A 28 -7.966 2.727 -22.633 1.00 0.00 C ATOM 411 CG ASP A 28 -9.022 3.594 -21.977 1.00 0.00 C ATOM 412 OD1 ASP A 28 -8.740 4.159 -20.899 1.00 0.00 O ATOM 413 OD2 ASP A 28 -10.131 3.708 -22.540 1.00 0.00 O ATOM 0 H ASP A 28 -10.001 1.171 -22.441 1.00 0.00 H new ATOM 0 HA ASP A 28 -7.094 0.769 -22.490 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -6.987 3.186 -22.496 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -8.150 2.685 -23.706 1.00 0.00 H new ATOM 418 N GLN A 29 -8.382 0.384 -19.867 1.00 0.00 N ATOM 419 CA GLN A 29 -8.305 0.316 -18.412 1.00 0.00 C ATOM 420 C GLN A 29 -7.489 -0.894 -17.967 1.00 0.00 C ATOM 421 O GLN A 29 -7.690 -1.423 -16.874 1.00 0.00 O ATOM 422 CB GLN A 29 -9.709 0.250 -17.808 1.00 0.00 C ATOM 423 CG GLN A 29 -10.310 1.615 -17.516 1.00 0.00 C ATOM 424 CD GLN A 29 -11.606 1.526 -16.735 1.00 0.00 C ATOM 425 OE1 GLN A 29 -12.540 0.720 -17.226 1.00 0.00 O flip ATOM 426 NE2 GLN A 29 -11.767 2.176 -15.701 1.00 0.00 N flip ATOM 0 H GLN A 29 -8.928 -0.363 -20.296 1.00 0.00 H new ATOM 0 HA GLN A 29 -7.807 1.218 -18.057 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -10.365 -0.288 -18.492 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -9.671 -0.326 -16.884 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -9.592 2.212 -16.954 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -10.491 2.137 -18.456 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -11.022 2.783 -15.359 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -12.645 2.107 -15.187 1.00 0.00 H new ATOM 435 N VAL A 30 -6.568 -1.328 -18.822 1.00 0.00 N ATOM 436 CA VAL A 30 -5.721 -2.474 -18.516 1.00 0.00 C ATOM 437 C VAL A 30 -5.084 -2.334 -17.138 1.00 0.00 C ATOM 438 O VAL A 30 -5.115 -3.263 -16.331 1.00 0.00 O ATOM 439 CB VAL A 30 -4.610 -2.648 -19.568 1.00 0.00 C ATOM 440 CG1 VAL A 30 -3.704 -3.813 -19.202 1.00 0.00 C ATOM 441 CG2 VAL A 30 -5.213 -2.845 -20.951 1.00 0.00 C ATOM 0 H VAL A 30 -6.390 -0.903 -19.732 1.00 0.00 H new ATOM 0 HA VAL A 30 -6.363 -3.355 -18.528 1.00 0.00 H new ATOM 0 HB VAL A 30 -4.005 -1.741 -19.585 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -2.925 -3.920 -19.957 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.245 -3.626 -18.231 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -4.292 -4.730 -19.154 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -4.414 -2.966 -21.682 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -5.842 -3.735 -20.950 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.815 -1.975 -21.213 1.00 0.00 H new ATOM 451 N ALA A 31 -4.505 -1.167 -16.876 1.00 0.00 N ATOM 452 CA ALA A 31 -3.861 -0.904 -15.594 1.00 0.00 C ATOM 453 C ALA A 31 -4.813 -1.181 -14.435 1.00 0.00 C ATOM 454 O ALA A 31 -4.419 -1.756 -13.421 1.00 0.00 O ATOM 455 CB ALA A 31 -3.363 0.532 -15.539 1.00 0.00 C ATOM 0 H ALA A 31 -4.468 -0.388 -17.534 1.00 0.00 H new ATOM 0 HA ALA A 31 -3.008 -1.576 -15.498 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -2.885 0.715 -14.577 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -2.642 0.698 -16.340 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -4.205 1.214 -15.661 1.00 0.00 H new ATOM 461 N ALA A 32 -6.066 -0.767 -14.592 1.00 0.00 N ATOM 462 CA ALA A 32 -7.073 -0.971 -13.559 1.00 0.00 C ATOM 463 C ALA A 32 -7.445 -2.445 -13.438 1.00 0.00 C ATOM 464 O ALA A 32 -7.704 -2.943 -12.341 1.00 0.00 O ATOM 465 CB ALA A 32 -8.310 -0.136 -13.855 1.00 0.00 C ATOM 0 H ALA A 32 -6.408 -0.288 -15.425 1.00 0.00 H new ATOM 0 HA ALA A 32 -6.650 -0.650 -12.607 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -9.054 -0.298 -13.075 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -8.038 0.919 -13.883 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -8.725 -0.430 -14.819 1.00 0.00 H new ATOM 471 N CYS A 33 -7.470 -3.139 -14.571 1.00 0.00 N ATOM 472 CA CYS A 33 -7.811 -4.557 -14.592 1.00 0.00 C ATOM 473 C CYS A 33 -6.860 -5.359 -13.709 1.00 0.00 C ATOM 474 O CYS A 33 -7.284 -6.250 -12.974 1.00 0.00 O ATOM 475 CB CYS A 33 -7.768 -5.091 -16.025 1.00 0.00 C ATOM 476 SG CYS A 33 -8.313 -6.822 -16.190 1.00 0.00 S ATOM 0 H CYS A 33 -7.258 -2.743 -15.487 1.00 0.00 H new ATOM 0 HA CYS A 33 -8.822 -4.668 -14.200 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -8.397 -4.462 -16.655 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -6.749 -5.004 -16.403 1.00 0.00 H new ATOM 481 N GLU A 34 -5.573 -5.035 -13.787 1.00 0.00 N ATOM 482 CA GLU A 34 -4.563 -5.726 -12.995 1.00 0.00 C ATOM 483 C GLU A 34 -4.265 -4.963 -11.708 1.00 0.00 C ATOM 484 O GLU A 34 -3.550 -5.453 -10.834 1.00 0.00 O ATOM 485 CB GLU A 34 -3.277 -5.899 -13.807 1.00 0.00 C ATOM 486 CG GLU A 34 -3.511 -6.428 -15.212 1.00 0.00 C ATOM 487 CD GLU A 34 -2.462 -7.436 -15.638 1.00 0.00 C ATOM 488 OE1 GLU A 34 -2.020 -8.231 -14.783 1.00 0.00 O ATOM 489 OE2 GLU A 34 -2.082 -7.429 -16.828 1.00 0.00 O ATOM 0 H GLU A 34 -5.206 -4.299 -14.390 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.954 -6.709 -12.732 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -2.765 -4.939 -13.870 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -2.612 -6.581 -13.277 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.496 -6.891 -15.262 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.515 -5.594 -15.914 1.00 0.00 H new ATOM 496 N ALA A 35 -4.818 -3.759 -11.599 1.00 0.00 N ATOM 497 CA ALA A 35 -4.615 -2.929 -10.418 1.00 0.00 C ATOM 498 C ALA A 35 -4.901 -3.711 -9.141 1.00 0.00 C ATOM 499 O ALA A 35 -4.144 -3.635 -8.174 1.00 0.00 O ATOM 500 CB ALA A 35 -5.493 -1.689 -10.488 1.00 0.00 C ATOM 0 H ALA A 35 -5.410 -3.337 -12.314 1.00 0.00 H new ATOM 0 HA ALA A 35 -3.570 -2.620 -10.397 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -5.331 -1.078 -9.600 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -5.237 -1.112 -11.377 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -6.540 -1.987 -10.538 1.00 0.00 H new ATOM 506 N GLU A 36 -5.998 -4.462 -9.145 1.00 0.00 N ATOM 507 CA GLU A 36 -6.383 -5.257 -7.985 1.00 0.00 C ATOM 508 C GLU A 36 -6.256 -6.748 -8.281 1.00 0.00 C ATOM 509 O GLU A 36 -6.999 -7.566 -7.738 1.00 0.00 O ATOM 510 CB GLU A 36 -7.818 -4.929 -7.568 1.00 0.00 C ATOM 511 CG GLU A 36 -7.929 -3.704 -6.675 1.00 0.00 C ATOM 512 CD GLU A 36 -7.668 -4.022 -5.215 1.00 0.00 C ATOM 513 OE1 GLU A 36 -8.480 -4.756 -4.614 1.00 0.00 O ATOM 514 OE2 GLU A 36 -6.652 -3.536 -4.675 1.00 0.00 O ATOM 0 H GLU A 36 -6.635 -4.536 -9.938 1.00 0.00 H new ATOM 0 HA GLU A 36 -5.708 -5.008 -7.166 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -8.420 -4.771 -8.463 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -8.241 -5.788 -7.046 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -7.219 -2.948 -7.011 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -8.925 -3.273 -6.777 1.00 0.00 H new ATOM 521 N CYS A 37 -5.309 -7.095 -9.146 1.00 0.00 N ATOM 522 CA CYS A 37 -5.083 -8.487 -9.516 1.00 0.00 C ATOM 523 C CYS A 37 -6.351 -9.109 -10.094 1.00 0.00 C ATOM 524 O CYS A 37 -6.804 -10.158 -9.637 1.00 0.00 O ATOM 525 CB CYS A 37 -4.616 -9.290 -8.300 1.00 0.00 C ATOM 526 SG CYS A 37 -3.222 -8.536 -7.402 1.00 0.00 S ATOM 0 H CYS A 37 -4.685 -6.431 -9.604 1.00 0.00 H new ATOM 0 HA CYS A 37 -4.306 -8.513 -10.280 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -5.454 -9.410 -7.614 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -4.326 -10.289 -8.627 1.00 0.00 H new ATOM 531 N PHE A 38 -6.918 -8.454 -11.101 1.00 0.00 N ATOM 532 CA PHE A 38 -8.135 -8.941 -11.741 1.00 0.00 C ATOM 533 C PHE A 38 -9.298 -8.959 -10.754 1.00 0.00 C ATOM 534 O PHE A 38 -10.318 -9.605 -10.992 1.00 0.00 O ATOM 535 CB PHE A 38 -7.911 -10.344 -12.309 1.00 0.00 C ATOM 536 CG PHE A 38 -6.630 -10.482 -13.080 1.00 0.00 C ATOM 537 CD1 PHE A 38 -6.248 -9.512 -13.993 1.00 0.00 C ATOM 538 CD2 PHE A 38 -5.808 -11.581 -12.893 1.00 0.00 C ATOM 539 CE1 PHE A 38 -5.070 -9.636 -14.705 1.00 0.00 C ATOM 540 CE2 PHE A 38 -4.628 -11.711 -13.602 1.00 0.00 C ATOM 541 CZ PHE A 38 -4.258 -10.737 -14.508 1.00 0.00 C ATOM 0 H PHE A 38 -6.555 -7.585 -11.492 1.00 0.00 H new ATOM 0 HA PHE A 38 -8.384 -8.262 -12.557 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -7.912 -11.063 -11.490 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -8.747 -10.601 -12.960 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -6.878 -8.649 -14.150 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -6.092 -12.345 -12.185 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -4.784 -8.874 -15.414 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -3.997 -12.573 -13.447 1.00 0.00 H new ATOM 0 HZ PHE A 38 -3.336 -10.835 -15.062 1.00 0.00 H new ATOM 551 N ARG A 39 -9.136 -8.244 -9.645 1.00 0.00 N ATOM 552 CA ARG A 39 -10.171 -8.179 -8.620 1.00 0.00 C ATOM 553 C ARG A 39 -10.700 -6.755 -8.472 1.00 0.00 C ATOM 554 O ARG A 39 -10.462 -6.096 -7.461 1.00 0.00 O ATOM 555 CB ARG A 39 -9.625 -8.674 -7.280 1.00 0.00 C ATOM 556 CG ARG A 39 -10.694 -9.228 -6.353 1.00 0.00 C ATOM 557 CD ARG A 39 -11.195 -10.583 -6.828 1.00 0.00 C ATOM 558 NE ARG A 39 -12.336 -11.050 -6.045 1.00 0.00 N ATOM 559 CZ ARG A 39 -13.069 -12.108 -6.373 1.00 0.00 C ATOM 560 NH1 ARG A 39 -12.781 -12.806 -7.462 1.00 0.00 N ATOM 561 NH2 ARG A 39 -14.092 -12.471 -5.609 1.00 0.00 N ATOM 0 H ARG A 39 -8.298 -7.702 -9.434 1.00 0.00 H new ATOM 0 HA ARG A 39 -10.994 -8.824 -8.929 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -8.880 -9.448 -7.465 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -9.113 -7.852 -6.780 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -10.290 -9.321 -5.345 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -11.528 -8.529 -6.299 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -11.479 -10.517 -7.878 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -10.387 -11.312 -6.762 1.00 0.00 H new ATOM 0 HE ARG A 39 -12.584 -10.535 -5.200 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -11.995 -12.531 -8.051 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -13.346 -13.618 -7.711 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -14.316 -11.937 -4.769 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -14.654 -13.284 -5.862 1.00 0.00 H new ATOM 575 N ASN A 40 -11.417 -6.287 -9.488 1.00 0.00 N ATOM 576 CA ASN A 40 -11.978 -4.940 -9.471 1.00 0.00 C ATOM 577 C ASN A 40 -13.255 -4.873 -10.304 1.00 0.00 C ATOM 578 O ASN A 40 -13.516 -5.746 -11.130 1.00 0.00 O ATOM 579 CB ASN A 40 -10.956 -3.933 -10.001 1.00 0.00 C ATOM 580 CG ASN A 40 -10.251 -4.427 -11.250 1.00 0.00 C ATOM 581 OD1 ASN A 40 -10.623 -4.073 -12.368 1.00 0.00 O ATOM 582 ND2 ASN A 40 -9.227 -5.252 -11.063 1.00 0.00 N ATOM 0 H ASN A 40 -11.624 -6.820 -10.333 1.00 0.00 H new ATOM 0 HA ASN A 40 -12.224 -4.688 -8.440 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -11.458 -2.991 -10.219 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -10.217 -3.728 -9.227 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -8.714 -5.619 -11.865 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -8.953 -5.519 -10.117 1.00 0.00 H new ATOM 589 N ASP A 41 -14.046 -3.829 -10.079 1.00 0.00 N ATOM 590 CA ASP A 41 -15.295 -3.646 -10.809 1.00 0.00 C ATOM 591 C ASP A 41 -15.030 -3.440 -12.297 1.00 0.00 C ATOM 592 O ASP A 41 -15.801 -3.892 -13.144 1.00 0.00 O ATOM 593 CB ASP A 41 -16.069 -2.453 -10.246 1.00 0.00 C ATOM 594 CG ASP A 41 -17.569 -2.675 -10.264 1.00 0.00 C ATOM 595 OD1 ASP A 41 -18.022 -3.607 -10.961 1.00 0.00 O ATOM 596 OD2 ASP A 41 -18.290 -1.916 -9.583 1.00 0.00 O ATOM 0 H ASP A 41 -13.844 -3.097 -9.397 1.00 0.00 H new ATOM 0 HA ASP A 41 -15.894 -4.548 -10.687 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -15.745 -2.264 -9.223 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -15.830 -1.562 -10.826 1.00 0.00 H new ATOM 601 N VAL A 42 -13.936 -2.753 -12.609 1.00 0.00 N ATOM 602 CA VAL A 42 -13.569 -2.486 -13.994 1.00 0.00 C ATOM 603 C VAL A 42 -13.498 -3.776 -14.803 1.00 0.00 C ATOM 604 O VAL A 42 -14.076 -3.875 -15.885 1.00 0.00 O ATOM 605 CB VAL A 42 -12.214 -1.760 -14.086 1.00 0.00 C ATOM 606 CG1 VAL A 42 -11.671 -1.821 -15.506 1.00 0.00 C ATOM 607 CG2 VAL A 42 -12.349 -0.319 -13.620 1.00 0.00 C ATOM 0 H VAL A 42 -13.288 -2.371 -11.920 1.00 0.00 H new ATOM 0 HA VAL A 42 -14.346 -1.843 -14.408 1.00 0.00 H new ATOM 0 HB VAL A 42 -11.506 -2.265 -13.429 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -10.713 -1.303 -15.552 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -11.535 -2.862 -15.799 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -12.376 -1.342 -16.186 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -11.382 0.179 -13.692 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -13.072 0.201 -14.249 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -12.690 -0.302 -12.585 1.00 0.00 H new ATOM 617 N TYR A 43 -12.787 -4.763 -14.269 1.00 0.00 N ATOM 618 CA TYR A 43 -12.639 -6.049 -14.942 1.00 0.00 C ATOM 619 C TYR A 43 -13.912 -6.880 -14.815 1.00 0.00 C ATOM 620 O TYR A 43 -14.354 -7.512 -15.775 1.00 0.00 O ATOM 621 CB TYR A 43 -11.454 -6.819 -14.359 1.00 0.00 C ATOM 622 CG TYR A 43 -11.351 -8.242 -14.859 1.00 0.00 C ATOM 623 CD1 TYR A 43 -11.225 -8.515 -16.216 1.00 0.00 C ATOM 624 CD2 TYR A 43 -11.380 -9.314 -13.975 1.00 0.00 C ATOM 625 CE1 TYR A 43 -11.132 -9.814 -16.677 1.00 0.00 C ATOM 626 CE2 TYR A 43 -11.286 -10.616 -14.428 1.00 0.00 C ATOM 627 CZ TYR A 43 -11.163 -10.861 -15.780 1.00 0.00 C ATOM 628 OH TYR A 43 -11.069 -12.156 -16.236 1.00 0.00 O ATOM 0 H TYR A 43 -12.304 -4.698 -13.373 1.00 0.00 H new ATOM 0 HA TYR A 43 -12.455 -5.858 -15.999 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -10.533 -6.290 -14.602 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -11.538 -6.830 -13.272 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -11.199 -7.698 -16.922 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -11.478 -9.126 -12.916 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -11.035 -10.009 -17.735 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -11.309 -11.438 -13.727 1.00 0.00 H new ATOM 0 HH TYR A 43 -11.962 -12.486 -16.469 1.00 0.00 H new ATOM 638 N THR A 44 -14.499 -6.873 -13.622 1.00 0.00 N ATOM 639 CA THR A 44 -15.721 -7.626 -13.367 1.00 0.00 C ATOM 640 C THR A 44 -16.833 -7.210 -14.323 1.00 0.00 C ATOM 641 O THR A 44 -17.658 -8.030 -14.724 1.00 0.00 O ATOM 642 CB THR A 44 -16.207 -7.435 -11.918 1.00 0.00 C ATOM 643 OG1 THR A 44 -15.155 -7.759 -11.001 1.00 0.00 O ATOM 644 CG2 THR A 44 -17.420 -8.307 -11.634 1.00 0.00 C ATOM 0 H THR A 44 -14.148 -6.354 -12.817 1.00 0.00 H new ATOM 0 HA THR A 44 -15.483 -8.678 -13.527 1.00 0.00 H new ATOM 0 HB THR A 44 -16.492 -6.391 -11.789 1.00 0.00 H new ATOM 0 HG1 THR A 44 -14.499 -7.031 -10.985 1.00 0.00 H new ATOM 0 HG21 THR A 44 -17.745 -8.155 -10.605 1.00 0.00 H new ATOM 0 HG22 THR A 44 -18.229 -8.038 -12.313 1.00 0.00 H new ATOM 0 HG23 THR A 44 -17.157 -9.355 -11.780 1.00 0.00 H new ATOM 652 N ALA A 45 -16.848 -5.932 -14.685 1.00 0.00 N ATOM 653 CA ALA A 45 -17.858 -5.408 -15.596 1.00 0.00 C ATOM 654 C ALA A 45 -17.542 -5.782 -17.040 1.00 0.00 C ATOM 655 O ALA A 45 -18.392 -6.314 -17.755 1.00 0.00 O ATOM 656 CB ALA A 45 -17.966 -3.897 -15.452 1.00 0.00 C ATOM 0 H ALA A 45 -16.172 -5.240 -14.361 1.00 0.00 H new ATOM 0 HA ALA A 45 -18.816 -5.857 -15.333 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -18.724 -3.519 -16.138 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -18.247 -3.648 -14.429 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -17.005 -3.440 -15.686 1.00 0.00 H new ATOM 662 N CYS A 46 -16.314 -5.501 -17.464 1.00 0.00 N ATOM 663 CA CYS A 46 -15.886 -5.806 -18.824 1.00 0.00 C ATOM 664 C CYS A 46 -15.984 -7.303 -19.102 1.00 0.00 C ATOM 665 O CYS A 46 -16.613 -7.725 -20.072 1.00 0.00 O ATOM 666 CB CYS A 46 -14.449 -5.328 -19.047 1.00 0.00 C ATOM 667 SG CYS A 46 -14.245 -3.520 -18.957 1.00 0.00 S ATOM 0 H CYS A 46 -15.598 -5.062 -16.885 1.00 0.00 H new ATOM 0 HA CYS A 46 -16.548 -5.282 -19.513 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -13.803 -5.793 -18.303 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -14.110 -5.673 -20.024 1.00 0.00 H new ATOM 672 N HIS A 47 -15.358 -8.101 -18.243 1.00 0.00 N ATOM 673 CA HIS A 47 -15.375 -9.552 -18.395 1.00 0.00 C ATOM 674 C HIS A 47 -16.804 -10.064 -18.556 1.00 0.00 C ATOM 675 O HIS A 47 -17.089 -10.864 -19.446 1.00 0.00 O ATOM 676 CB HIS A 47 -14.714 -10.220 -17.190 1.00 0.00 C ATOM 677 CG HIS A 47 -14.516 -11.696 -17.357 1.00 0.00 C ATOM 678 ND1 HIS A 47 -14.467 -12.573 -16.294 1.00 0.00 N ATOM 679 CD2 HIS A 47 -14.355 -12.447 -18.471 1.00 0.00 C ATOM 680 CE1 HIS A 47 -14.283 -13.800 -16.748 1.00 0.00 C ATOM 681 NE2 HIS A 47 -14.213 -13.751 -18.066 1.00 0.00 N ATOM 0 H HIS A 47 -14.833 -7.768 -17.435 1.00 0.00 H new ATOM 0 HA HIS A 47 -14.813 -9.805 -19.294 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -13.747 -9.750 -17.010 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -15.325 -10.041 -16.305 1.00 0.00 H new ATOM 0 HD1 HIS A 47 -14.558 -12.315 -15.311 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -14.341 -12.087 -19.489 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -14.203 -14.692 -16.144 1.00 0.00 H new ATOM 689 N GLU A 48 -17.696 -9.597 -17.687 1.00 0.00 N ATOM 690 CA GLU A 48 -19.093 -10.010 -17.733 1.00 0.00 C ATOM 691 C GLU A 48 -19.734 -9.618 -19.061 1.00 0.00 C ATOM 692 O GLU A 48 -20.614 -10.314 -19.567 1.00 0.00 O ATOM 693 CB GLU A 48 -19.871 -9.383 -16.574 1.00 0.00 C ATOM 694 CG GLU A 48 -19.813 -10.195 -15.291 1.00 0.00 C ATOM 695 CD GLU A 48 -20.355 -9.437 -14.095 1.00 0.00 C ATOM 696 OE1 GLU A 48 -21.056 -8.425 -14.302 1.00 0.00 O ATOM 697 OE2 GLU A 48 -20.078 -9.857 -12.952 1.00 0.00 O ATOM 0 H GLU A 48 -17.476 -8.934 -16.944 1.00 0.00 H new ATOM 0 HA GLU A 48 -19.127 -11.095 -17.640 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -19.477 -8.385 -16.381 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -20.913 -9.262 -16.870 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -20.383 -11.115 -15.422 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -18.781 -10.485 -15.095 1.00 0.00 H new ATOM 704 N ALA A 49 -19.286 -8.499 -19.620 1.00 0.00 N ATOM 705 CA ALA A 49 -19.813 -8.014 -20.889 1.00 0.00 C ATOM 706 C ALA A 49 -19.380 -8.912 -22.043 1.00 0.00 C ATOM 707 O ALA A 49 -20.085 -9.034 -23.044 1.00 0.00 O ATOM 708 CB ALA A 49 -19.363 -6.581 -21.135 1.00 0.00 C ATOM 0 H ALA A 49 -18.559 -7.911 -19.213 1.00 0.00 H new ATOM 0 HA ALA A 49 -20.901 -8.037 -20.834 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -19.764 -6.232 -22.086 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -19.728 -5.942 -20.331 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -18.274 -6.541 -21.164 1.00 0.00 H new ATOM 714 N GLN A 50 -18.216 -9.536 -21.895 1.00 0.00 N ATOM 715 CA GLN A 50 -17.689 -10.422 -22.927 1.00 0.00 C ATOM 716 C GLN A 50 -17.928 -11.884 -22.563 1.00 0.00 C ATOM 717 O GLN A 50 -18.399 -12.194 -21.469 1.00 0.00 O ATOM 718 CB GLN A 50 -16.193 -10.173 -23.127 1.00 0.00 C ATOM 719 CG GLN A 50 -15.876 -8.802 -23.704 1.00 0.00 C ATOM 720 CD GLN A 50 -16.533 -8.571 -25.051 1.00 0.00 C ATOM 721 OE1 GLN A 50 -17.521 -7.843 -25.156 1.00 0.00 O ATOM 722 NE2 GLN A 50 -15.986 -9.189 -26.091 1.00 0.00 N ATOM 0 H GLN A 50 -17.620 -9.445 -21.072 1.00 0.00 H new ATOM 0 HA GLN A 50 -18.214 -10.207 -23.858 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -15.684 -10.282 -22.169 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -15.791 -10.939 -23.790 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -16.206 -8.033 -23.006 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -14.796 -8.696 -23.808 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -15.168 -9.783 -25.959 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -16.384 -9.070 -27.022 1.00 0.00 H new ATOM 731 N LYS A 51 -17.602 -12.779 -23.489 1.00 0.00 N ATOM 732 CA LYS A 51 -17.780 -14.209 -23.267 1.00 0.00 C ATOM 733 C LYS A 51 -16.737 -14.743 -22.291 1.00 0.00 C ATOM 734 O LYS A 51 -15.892 -13.994 -21.799 1.00 0.00 O ATOM 735 CB LYS A 51 -17.688 -14.967 -24.593 1.00 0.00 C ATOM 736 CG LYS A 51 -18.368 -16.325 -24.566 1.00 0.00 C ATOM 737 CD LYS A 51 -17.732 -17.288 -25.554 1.00 0.00 C ATOM 738 CE LYS A 51 -18.260 -17.070 -26.964 1.00 0.00 C ATOM 739 NZ LYS A 51 -17.600 -17.970 -27.949 1.00 0.00 N ATOM 0 H LYS A 51 -17.213 -12.539 -24.401 1.00 0.00 H new ATOM 0 HA LYS A 51 -18.769 -14.363 -22.835 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -18.137 -14.361 -25.380 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -16.638 -15.101 -24.853 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -18.309 -16.742 -23.561 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -19.426 -16.208 -24.801 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -16.650 -17.158 -25.545 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -17.932 -18.314 -25.244 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -19.336 -17.242 -26.979 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -18.099 -16.032 -27.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -17.987 -17.790 -28.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -16.576 -17.789 -27.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -17.775 -18.961 -27.686 1.00 0.00 H new TER 753 LYS A 51