USER MOD reduce.3.24.130724 H: found=0, std=0, add=357, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 355 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot -20:sc= 0.648 USER MOD Single : A 21 ASN : amide:sc= -1.45 K(o=-1.4,f=-2.8!) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 MET CE :methyl -112:sc= -0.394 (180deg=-2.15!) USER MOD Single : A 35 LYS NZ :NH3+ -123:sc= -0.162 (180deg=-0.68) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 72:sc= 0.105 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= -0.0234 USER MOD Single : A 47 GLN : amide:sc= -5.81! C(o=-5.8!,f=-14!) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.329 -37.244 -0.984 1.00 0.00 N ATOM 2 CA GLY A 1 2.690 -36.799 -2.208 1.00 0.00 C ATOM 3 C GLY A 1 3.368 -35.582 -2.806 1.00 0.00 C ATOM 4 O GLY A 1 3.022 -34.447 -2.480 1.00 0.00 O ATOM 0 H1 GLY A 1 2.829 -38.078 -0.615 1.00 0.00 H new ATOM 0 H2 GLY A 1 4.319 -37.493 -1.180 1.00 0.00 H new ATOM 0 H3 GLY A 1 3.297 -36.481 -0.278 1.00 0.00 H new ATOM 0 HA2 GLY A 1 2.700 -37.611 -2.935 1.00 0.00 H new ATOM 0 HA3 GLY A 1 1.645 -36.566 -2.005 1.00 0.00 H new ATOM 8 N SER A 2 4.339 -35.819 -3.684 1.00 0.00 N ATOM 9 CA SER A 2 5.071 -34.733 -4.324 1.00 0.00 C ATOM 10 C SER A 2 4.119 -33.634 -4.787 1.00 0.00 C ATOM 11 O SER A 2 4.237 -32.480 -4.376 1.00 0.00 O ATOM 12 CB SER A 2 5.873 -35.263 -5.514 1.00 0.00 C ATOM 13 OG SER A 2 6.980 -36.034 -5.080 1.00 0.00 O ATOM 0 H SER A 2 4.636 -36.753 -3.967 1.00 0.00 H new ATOM 0 HA SER A 2 5.758 -34.309 -3.591 1.00 0.00 H new ATOM 0 HB2 SER A 2 5.229 -35.871 -6.149 1.00 0.00 H new ATOM 0 HB3 SER A 2 6.223 -34.428 -6.121 1.00 0.00 H new ATOM 0 HG SER A 2 7.475 -36.363 -5.859 1.00 0.00 H new ATOM 19 N SER A 3 3.174 -34.002 -5.647 1.00 0.00 N ATOM 20 CA SER A 3 2.203 -33.049 -6.170 1.00 0.00 C ATOM 21 C SER A 3 1.326 -32.497 -5.050 1.00 0.00 C ATOM 22 O SER A 3 1.136 -33.142 -4.020 1.00 0.00 O ATOM 23 CB SER A 3 1.330 -33.711 -7.238 1.00 0.00 C ATOM 24 OG SER A 3 1.948 -33.651 -8.511 1.00 0.00 O ATOM 0 H SER A 3 3.061 -34.954 -5.996 1.00 0.00 H new ATOM 0 HA SER A 3 2.750 -32.221 -6.621 1.00 0.00 H new ATOM 0 HB2 SER A 3 1.146 -34.751 -6.968 1.00 0.00 H new ATOM 0 HB3 SER A 3 0.360 -33.216 -7.278 1.00 0.00 H new ATOM 0 HG SER A 3 1.371 -34.082 -9.175 1.00 0.00 H new ATOM 30 N GLY A 4 0.793 -31.297 -5.261 1.00 0.00 N ATOM 31 CA GLY A 4 -0.057 -30.677 -4.262 1.00 0.00 C ATOM 32 C GLY A 4 -0.327 -29.215 -4.556 1.00 0.00 C ATOM 33 O GLY A 4 -0.010 -28.724 -5.639 1.00 0.00 O ATOM 0 H GLY A 4 0.935 -30.744 -6.106 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -1.004 -31.215 -4.211 1.00 0.00 H new ATOM 0 HA3 GLY A 4 0.414 -30.766 -3.283 1.00 0.00 H new ATOM 37 N SER A 5 -0.916 -28.517 -3.590 1.00 0.00 N ATOM 38 CA SER A 5 -1.234 -27.103 -3.753 1.00 0.00 C ATOM 39 C SER A 5 -0.511 -26.260 -2.707 1.00 0.00 C ATOM 40 O SER A 5 -0.516 -26.585 -1.520 1.00 0.00 O ATOM 41 CB SER A 5 -2.744 -26.883 -3.648 1.00 0.00 C ATOM 42 OG SER A 5 -3.424 -27.478 -4.739 1.00 0.00 O ATOM 0 H SER A 5 -1.183 -28.908 -2.686 1.00 0.00 H new ATOM 0 HA SER A 5 -0.897 -26.791 -4.742 1.00 0.00 H new ATOM 0 HB2 SER A 5 -3.112 -27.305 -2.713 1.00 0.00 H new ATOM 0 HB3 SER A 5 -2.958 -25.815 -3.621 1.00 0.00 H new ATOM 0 HG SER A 5 -4.388 -27.324 -4.647 1.00 0.00 H new ATOM 48 N SER A 6 0.111 -25.175 -3.158 1.00 0.00 N ATOM 49 CA SER A 6 0.842 -24.286 -2.263 1.00 0.00 C ATOM 50 C SER A 6 -0.018 -23.091 -1.862 1.00 0.00 C ATOM 51 O SER A 6 -0.859 -22.631 -2.633 1.00 0.00 O ATOM 52 CB SER A 6 2.130 -23.800 -2.932 1.00 0.00 C ATOM 53 OG SER A 6 2.990 -24.886 -3.231 1.00 0.00 O ATOM 0 H SER A 6 0.123 -24.891 -4.138 1.00 0.00 H new ATOM 0 HA SER A 6 1.097 -24.846 -1.363 1.00 0.00 H new ATOM 0 HB2 SER A 6 1.887 -23.262 -3.848 1.00 0.00 H new ATOM 0 HB3 SER A 6 2.642 -23.097 -2.275 1.00 0.00 H new ATOM 0 HG SER A 6 3.805 -24.550 -3.659 1.00 0.00 H new ATOM 59 N GLY A 7 0.200 -22.594 -0.648 1.00 0.00 N ATOM 60 CA GLY A 7 -0.562 -21.458 -0.164 1.00 0.00 C ATOM 61 C GLY A 7 0.238 -20.583 0.780 1.00 0.00 C ATOM 62 O GLY A 7 1.051 -21.080 1.560 1.00 0.00 O ATOM 0 H GLY A 7 0.891 -22.958 0.009 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -0.896 -20.861 -1.012 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -1.456 -21.815 0.347 1.00 0.00 H new ATOM 66 N ASP A 8 0.010 -19.276 0.710 1.00 0.00 N ATOM 67 CA ASP A 8 0.716 -18.329 1.565 1.00 0.00 C ATOM 68 C ASP A 8 -0.266 -17.407 2.281 1.00 0.00 C ATOM 69 O ASP A 8 -0.871 -16.531 1.665 1.00 0.00 O ATOM 70 CB ASP A 8 1.703 -17.502 0.740 1.00 0.00 C ATOM 71 CG ASP A 8 2.390 -16.430 1.563 1.00 0.00 C ATOM 72 OD1 ASP A 8 2.459 -16.586 2.800 1.00 0.00 O ATOM 73 OD2 ASP A 8 2.858 -15.435 0.971 1.00 0.00 O ATOM 0 H ASP A 8 -0.659 -18.848 0.070 1.00 0.00 H new ATOM 0 HA ASP A 8 1.267 -18.896 2.315 1.00 0.00 H new ATOM 0 HB2 ASP A 8 2.455 -18.163 0.309 1.00 0.00 H new ATOM 0 HB3 ASP A 8 1.175 -17.035 -0.092 1.00 0.00 H new ATOM 78 N GLU A 9 -0.418 -17.612 3.586 1.00 0.00 N ATOM 79 CA GLU A 9 -1.328 -16.799 4.385 1.00 0.00 C ATOM 80 C GLU A 9 -1.132 -15.315 4.091 1.00 0.00 C ATOM 81 O GLU A 9 -2.086 -14.538 4.101 1.00 0.00 O ATOM 82 CB GLU A 9 -1.112 -17.068 5.876 1.00 0.00 C ATOM 83 CG GLU A 9 0.304 -16.782 6.347 1.00 0.00 C ATOM 84 CD GLU A 9 0.366 -16.413 7.816 1.00 0.00 C ATOM 85 OE1 GLU A 9 0.253 -17.324 8.663 1.00 0.00 O ATOM 86 OE2 GLU A 9 0.529 -15.212 8.119 1.00 0.00 O ATOM 0 H GLU A 9 0.076 -18.333 4.112 1.00 0.00 H new ATOM 0 HA GLU A 9 -2.349 -17.073 4.118 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -1.808 -16.457 6.451 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -1.353 -18.110 6.087 1.00 0.00 H new ATOM 0 HG2 GLU A 9 0.926 -17.659 6.170 1.00 0.00 H new ATOM 0 HG3 GLU A 9 0.723 -15.969 5.754 1.00 0.00 H new ATOM 93 N GLY A 10 0.113 -14.928 3.830 1.00 0.00 N ATOM 94 CA GLY A 10 0.412 -13.538 3.538 1.00 0.00 C ATOM 95 C GLY A 10 0.059 -13.156 2.114 1.00 0.00 C ATOM 96 O GLY A 10 0.941 -12.982 1.273 1.00 0.00 O ATOM 0 H GLY A 10 0.920 -15.552 3.816 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -0.137 -12.898 4.229 1.00 0.00 H new ATOM 0 HA3 GLY A 10 1.473 -13.354 3.708 1.00 0.00 H new ATOM 100 N TYR A 11 -1.235 -13.027 1.842 1.00 0.00 N ATOM 101 CA TYR A 11 -1.703 -12.667 0.509 1.00 0.00 C ATOM 102 C TYR A 11 -2.736 -11.546 0.578 1.00 0.00 C ATOM 103 O TYR A 11 -3.401 -11.362 1.598 1.00 0.00 O ATOM 104 CB TYR A 11 -2.305 -13.887 -0.190 1.00 0.00 C ATOM 105 CG TYR A 11 -3.719 -14.199 0.247 1.00 0.00 C ATOM 106 CD1 TYR A 11 -3.966 -14.893 1.425 1.00 0.00 C ATOM 107 CD2 TYR A 11 -4.807 -13.802 -0.520 1.00 0.00 C ATOM 108 CE1 TYR A 11 -5.255 -15.180 1.828 1.00 0.00 C ATOM 109 CE2 TYR A 11 -6.100 -14.084 -0.124 1.00 0.00 C ATOM 110 CZ TYR A 11 -6.319 -14.773 1.050 1.00 0.00 C ATOM 111 OH TYR A 11 -7.606 -15.058 1.447 1.00 0.00 O ATOM 0 H TYR A 11 -1.978 -13.166 2.527 1.00 0.00 H new ATOM 0 HA TYR A 11 -0.847 -12.313 -0.065 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -2.295 -13.720 -1.267 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -1.674 -14.754 0.004 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -3.135 -15.214 2.036 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -4.639 -13.264 -1.441 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -5.429 -15.720 2.747 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -6.935 -13.766 -0.731 1.00 0.00 H new ATOM 0 HH TYR A 11 -8.238 -14.701 0.789 1.00 0.00 H new ATOM 121 N TRP A 12 -2.865 -10.801 -0.513 1.00 0.00 N ATOM 122 CA TRP A 12 -3.817 -9.698 -0.578 1.00 0.00 C ATOM 123 C TRP A 12 -4.711 -9.822 -1.806 1.00 0.00 C ATOM 124 O TRP A 12 -4.225 -9.977 -2.927 1.00 0.00 O ATOM 125 CB TRP A 12 -3.077 -8.359 -0.603 1.00 0.00 C ATOM 126 CG TRP A 12 -2.080 -8.253 -1.717 1.00 0.00 C ATOM 127 CD1 TRP A 12 -0.803 -8.738 -1.723 1.00 0.00 C ATOM 128 CD2 TRP A 12 -2.277 -7.621 -2.986 1.00 0.00 C ATOM 129 NE1 TRP A 12 -0.194 -8.445 -2.920 1.00 0.00 N ATOM 130 CE2 TRP A 12 -1.078 -7.761 -3.712 1.00 0.00 C ATOM 131 CE3 TRP A 12 -3.350 -6.951 -3.581 1.00 0.00 C ATOM 132 CZ2 TRP A 12 -0.924 -7.255 -5.000 1.00 0.00 C ATOM 133 CZ3 TRP A 12 -3.196 -6.450 -4.859 1.00 0.00 C ATOM 134 CH2 TRP A 12 -1.991 -6.604 -5.558 1.00 0.00 C ATOM 0 H TRP A 12 -2.322 -10.940 -1.365 1.00 0.00 H new ATOM 0 HA TRP A 12 -4.446 -9.741 0.311 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -3.804 -7.552 -0.697 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -2.565 -8.217 0.349 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -0.340 -9.273 -0.907 1.00 0.00 H new ATOM 0 HE1 TRP A 12 0.761 -8.696 -3.177 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -4.283 -6.827 -3.051 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 0.004 -7.372 -5.540 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -4.019 -5.930 -5.328 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -1.903 -6.201 -6.556 1.00 0.00 H new ATOM 145 N ASP A 13 -6.020 -9.753 -1.589 1.00 0.00 N ATOM 146 CA ASP A 13 -6.982 -9.857 -2.680 1.00 0.00 C ATOM 147 C ASP A 13 -7.103 -8.531 -3.426 1.00 0.00 C ATOM 148 O ASP A 13 -7.320 -7.482 -2.818 1.00 0.00 O ATOM 149 CB ASP A 13 -8.351 -10.280 -2.143 1.00 0.00 C ATOM 150 CG ASP A 13 -8.445 -11.776 -1.913 1.00 0.00 C ATOM 151 OD1 ASP A 13 -8.478 -12.527 -2.909 1.00 0.00 O ATOM 152 OD2 ASP A 13 -8.486 -12.194 -0.737 1.00 0.00 O ATOM 0 H ASP A 13 -6.439 -9.626 -0.668 1.00 0.00 H new ATOM 0 HA ASP A 13 -6.623 -10.615 -3.377 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -8.548 -9.758 -1.207 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -9.125 -9.974 -2.847 1.00 0.00 H new ATOM 157 N CYS A 14 -6.960 -8.586 -4.745 1.00 0.00 N ATOM 158 CA CYS A 14 -7.051 -7.391 -5.575 1.00 0.00 C ATOM 159 C CYS A 14 -8.494 -6.905 -5.673 1.00 0.00 C ATOM 160 O CYS A 14 -9.431 -7.651 -5.391 1.00 0.00 O ATOM 161 CB CYS A 14 -6.500 -7.673 -6.975 1.00 0.00 C ATOM 162 SG CYS A 14 -6.763 -6.318 -8.164 1.00 0.00 S ATOM 0 H CYS A 14 -6.780 -9.446 -5.263 1.00 0.00 H new ATOM 0 HA CYS A 14 -6.453 -6.608 -5.107 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -5.431 -7.874 -6.900 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -6.968 -8.578 -7.362 1.00 0.00 H new ATOM 167 N SER A 15 -8.664 -5.649 -6.074 1.00 0.00 N ATOM 168 CA SER A 15 -9.992 -5.062 -6.205 1.00 0.00 C ATOM 169 C SER A 15 -10.297 -4.728 -7.663 1.00 0.00 C ATOM 170 O SER A 15 -11.447 -4.787 -8.098 1.00 0.00 O ATOM 171 CB SER A 15 -10.102 -3.799 -5.348 1.00 0.00 C ATOM 172 OG SER A 15 -11.456 -3.429 -5.156 1.00 0.00 O ATOM 0 H SER A 15 -7.899 -5.019 -6.314 1.00 0.00 H new ATOM 0 HA SER A 15 -10.721 -5.794 -5.857 1.00 0.00 H new ATOM 0 HB2 SER A 15 -9.628 -3.969 -4.381 1.00 0.00 H new ATOM 0 HB3 SER A 15 -9.563 -2.982 -5.828 1.00 0.00 H new ATOM 0 HG SER A 15 -11.499 -2.620 -4.604 1.00 0.00 H new ATOM 178 N VAL A 16 -9.257 -4.378 -8.413 1.00 0.00 N ATOM 179 CA VAL A 16 -9.411 -4.036 -9.822 1.00 0.00 C ATOM 180 C VAL A 16 -9.912 -5.231 -10.626 1.00 0.00 C ATOM 181 O VAL A 16 -10.990 -5.187 -11.219 1.00 0.00 O ATOM 182 CB VAL A 16 -8.084 -3.542 -10.428 1.00 0.00 C ATOM 183 CG1 VAL A 16 -8.253 -3.245 -11.911 1.00 0.00 C ATOM 184 CG2 VAL A 16 -7.583 -2.315 -9.683 1.00 0.00 C ATOM 0 H VAL A 16 -8.299 -4.324 -8.068 1.00 0.00 H new ATOM 0 HA VAL A 16 -10.146 -3.233 -9.875 1.00 0.00 H new ATOM 0 HB VAL A 16 -7.339 -4.331 -10.323 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -7.306 -2.897 -12.323 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -8.563 -4.152 -12.431 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -9.011 -2.473 -12.043 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -6.645 -1.979 -10.124 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -8.323 -1.518 -9.755 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -7.421 -2.567 -8.635 1.00 0.00 H new ATOM 194 N CYS A 17 -9.121 -6.299 -10.641 1.00 0.00 N ATOM 195 CA CYS A 17 -9.483 -7.508 -11.372 1.00 0.00 C ATOM 196 C CYS A 17 -9.837 -8.639 -10.411 1.00 0.00 C ATOM 197 O CYS A 17 -10.090 -9.769 -10.830 1.00 0.00 O ATOM 198 CB CYS A 17 -8.333 -7.940 -12.285 1.00 0.00 C ATOM 199 SG CYS A 17 -6.812 -8.404 -11.396 1.00 0.00 S ATOM 0 H CYS A 17 -8.226 -6.352 -10.155 1.00 0.00 H new ATOM 0 HA CYS A 17 -10.359 -7.286 -11.982 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -8.661 -8.786 -12.889 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -8.105 -7.127 -12.974 1.00 0.00 H new ATOM 204 N THR A 18 -9.853 -8.327 -9.119 1.00 0.00 N ATOM 205 CA THR A 18 -10.175 -9.316 -8.098 1.00 0.00 C ATOM 206 C THR A 18 -9.272 -10.539 -8.213 1.00 0.00 C ATOM 207 O THR A 18 -9.685 -11.658 -7.910 1.00 0.00 O ATOM 208 CB THR A 18 -11.645 -9.767 -8.196 1.00 0.00 C ATOM 209 OG1 THR A 18 -11.815 -10.645 -9.315 1.00 0.00 O ATOM 210 CG2 THR A 18 -12.570 -8.568 -8.341 1.00 0.00 C ATOM 0 H THR A 18 -9.647 -7.397 -8.755 1.00 0.00 H new ATOM 0 HA THR A 18 -10.013 -8.837 -7.132 1.00 0.00 H new ATOM 0 HB THR A 18 -11.902 -10.295 -7.278 1.00 0.00 H new ATOM 0 HG1 THR A 18 -11.078 -10.515 -9.948 1.00 0.00 H new ATOM 0 HG21 THR A 18 -13.602 -8.911 -8.408 1.00 0.00 H new ATOM 0 HG22 THR A 18 -12.460 -7.917 -7.474 1.00 0.00 H new ATOM 0 HG23 THR A 18 -12.311 -8.016 -9.245 1.00 0.00 H new ATOM 218 N PHE A 19 -8.037 -10.317 -8.651 1.00 0.00 N ATOM 219 CA PHE A 19 -7.075 -11.402 -8.806 1.00 0.00 C ATOM 220 C PHE A 19 -6.292 -11.623 -7.515 1.00 0.00 C ATOM 221 O PHE A 19 -5.999 -10.676 -6.785 1.00 0.00 O ATOM 222 CB PHE A 19 -6.111 -11.097 -9.954 1.00 0.00 C ATOM 223 CG PHE A 19 -5.005 -12.103 -10.092 1.00 0.00 C ATOM 224 CD1 PHE A 19 -5.239 -13.332 -10.688 1.00 0.00 C ATOM 225 CD2 PHE A 19 -3.731 -11.821 -9.626 1.00 0.00 C ATOM 226 CE1 PHE A 19 -4.223 -14.261 -10.815 1.00 0.00 C ATOM 227 CE2 PHE A 19 -2.711 -12.746 -9.751 1.00 0.00 C ATOM 228 CZ PHE A 19 -2.958 -13.967 -10.347 1.00 0.00 C ATOM 0 H PHE A 19 -7.679 -9.396 -8.905 1.00 0.00 H new ATOM 0 HA PHE A 19 -7.627 -12.313 -9.036 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -6.672 -11.056 -10.888 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -5.676 -10.110 -9.800 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -6.226 -13.567 -11.057 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -3.532 -10.867 -9.160 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -4.419 -15.216 -11.280 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -1.722 -12.514 -9.383 1.00 0.00 H new ATOM 0 HZ PHE A 19 -2.163 -14.691 -10.447 1.00 0.00 H new ATOM 238 N ARG A 20 -5.958 -12.879 -7.240 1.00 0.00 N ATOM 239 CA ARG A 20 -5.211 -13.226 -6.037 1.00 0.00 C ATOM 240 C ARG A 20 -3.713 -13.025 -6.250 1.00 0.00 C ATOM 241 O ARG A 20 -3.134 -13.559 -7.195 1.00 0.00 O ATOM 242 CB ARG A 20 -5.490 -14.676 -5.638 1.00 0.00 C ATOM 243 CG ARG A 20 -4.796 -15.098 -4.353 1.00 0.00 C ATOM 244 CD ARG A 20 -4.605 -16.606 -4.293 1.00 0.00 C ATOM 245 NE ARG A 20 -5.879 -17.317 -4.242 1.00 0.00 N ATOM 246 CZ ARG A 20 -6.491 -17.807 -5.315 1.00 0.00 C ATOM 247 NH1 ARG A 20 -5.947 -17.664 -6.515 1.00 0.00 N ATOM 248 NH2 ARG A 20 -7.649 -18.443 -5.187 1.00 0.00 N ATOM 0 H ARG A 20 -6.193 -13.674 -7.834 1.00 0.00 H new ATOM 0 HA ARG A 20 -5.538 -12.566 -5.234 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -6.565 -14.812 -5.522 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -5.171 -15.334 -6.446 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -3.827 -14.604 -4.282 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -5.384 -14.770 -3.496 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -4.041 -16.935 -5.166 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -4.012 -16.862 -3.415 1.00 0.00 H new ATOM 0 HE ARG A 20 -6.324 -17.445 -3.333 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -5.057 -17.177 -6.617 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -6.419 -18.041 -7.337 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -8.070 -18.556 -4.265 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -8.118 -18.819 -6.011 1.00 0.00 H new ATOM 262 N ASN A 21 -3.094 -12.250 -5.366 1.00 0.00 N ATOM 263 CA ASN A 21 -1.664 -11.978 -5.457 1.00 0.00 C ATOM 264 C ASN A 21 -0.953 -12.361 -4.163 1.00 0.00 C ATOM 265 O ASN A 21 -1.594 -12.660 -3.156 1.00 0.00 O ATOM 266 CB ASN A 21 -1.425 -10.498 -5.765 1.00 0.00 C ATOM 267 CG ASN A 21 -2.245 -10.012 -6.944 1.00 0.00 C ATOM 268 OD1 ASN A 21 -1.747 -9.919 -8.065 1.00 0.00 O ATOM 269 ND2 ASN A 21 -3.512 -9.699 -6.694 1.00 0.00 N ATOM 0 H ASN A 21 -3.560 -11.799 -4.579 1.00 0.00 H new ATOM 0 HA ASN A 21 -1.255 -12.582 -6.267 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -1.670 -9.903 -4.886 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -0.367 -10.339 -5.972 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -4.113 -9.366 -7.448 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -3.883 -9.792 -5.748 1.00 0.00 H new ATOM 276 N SER A 22 0.376 -12.350 -4.199 1.00 0.00 N ATOM 277 CA SER A 22 1.174 -12.699 -3.030 1.00 0.00 C ATOM 278 C SER A 22 1.681 -11.446 -2.323 1.00 0.00 C ATOM 279 O SER A 22 1.902 -10.412 -2.952 1.00 0.00 O ATOM 280 CB SER A 22 2.356 -13.581 -3.439 1.00 0.00 C ATOM 281 OG SER A 22 1.980 -14.945 -3.495 1.00 0.00 O ATOM 0 H SER A 22 0.922 -12.103 -5.024 1.00 0.00 H new ATOM 0 HA SER A 22 0.538 -13.252 -2.339 1.00 0.00 H new ATOM 0 HB2 SER A 22 2.731 -13.264 -4.412 1.00 0.00 H new ATOM 0 HB3 SER A 22 3.171 -13.454 -2.727 1.00 0.00 H new ATOM 0 HG SER A 22 2.752 -15.487 -3.760 1.00 0.00 H new ATOM 287 N ALA A 23 1.861 -11.547 -1.010 1.00 0.00 N ATOM 288 CA ALA A 23 2.343 -10.423 -0.217 1.00 0.00 C ATOM 289 C ALA A 23 3.572 -9.786 -0.857 1.00 0.00 C ATOM 290 O ALA A 23 3.658 -8.564 -0.976 1.00 0.00 O ATOM 291 CB ALA A 23 2.658 -10.874 1.201 1.00 0.00 C ATOM 0 H ALA A 23 1.680 -12.395 -0.473 1.00 0.00 H new ATOM 0 HA ALA A 23 1.554 -9.672 -0.181 1.00 0.00 H new ATOM 0 HB1 ALA A 23 3.017 -10.024 1.782 1.00 0.00 H new ATOM 0 HB2 ALA A 23 1.756 -11.275 1.664 1.00 0.00 H new ATOM 0 HB3 ALA A 23 3.427 -11.646 1.175 1.00 0.00 H new ATOM 297 N GLU A 24 4.521 -10.622 -1.265 1.00 0.00 N ATOM 298 CA GLU A 24 5.747 -10.139 -1.891 1.00 0.00 C ATOM 299 C GLU A 24 5.435 -9.115 -2.978 1.00 0.00 C ATOM 300 O GLU A 24 5.889 -7.973 -2.919 1.00 0.00 O ATOM 301 CB GLU A 24 6.536 -11.307 -2.487 1.00 0.00 C ATOM 302 CG GLU A 24 7.514 -11.940 -1.513 1.00 0.00 C ATOM 303 CD GLU A 24 8.169 -13.188 -2.072 1.00 0.00 C ATOM 304 OE1 GLU A 24 7.460 -13.995 -2.709 1.00 0.00 O ATOM 305 OE2 GLU A 24 9.390 -13.359 -1.872 1.00 0.00 O ATOM 0 H GLU A 24 4.465 -11.636 -1.174 1.00 0.00 H new ATOM 0 HA GLU A 24 6.351 -9.656 -1.123 1.00 0.00 H new ATOM 0 HB2 GLU A 24 5.837 -12.068 -2.833 1.00 0.00 H new ATOM 0 HB3 GLU A 24 7.083 -10.956 -3.362 1.00 0.00 H new ATOM 0 HG2 GLU A 24 8.285 -11.214 -1.255 1.00 0.00 H new ATOM 0 HG3 GLU A 24 6.991 -12.191 -0.590 1.00 0.00 H new ATOM 312 N ALA A 25 4.656 -9.532 -3.971 1.00 0.00 N ATOM 313 CA ALA A 25 4.282 -8.652 -5.071 1.00 0.00 C ATOM 314 C ALA A 25 3.633 -7.373 -4.554 1.00 0.00 C ATOM 315 O ALA A 25 2.579 -7.412 -3.919 1.00 0.00 O ATOM 316 CB ALA A 25 3.344 -9.372 -6.028 1.00 0.00 C ATOM 0 H ALA A 25 4.272 -10.475 -4.036 1.00 0.00 H new ATOM 0 HA ALA A 25 5.190 -8.377 -5.608 1.00 0.00 H new ATOM 0 HB1 ALA A 25 3.073 -8.703 -6.844 1.00 0.00 H new ATOM 0 HB2 ALA A 25 3.842 -10.253 -6.432 1.00 0.00 H new ATOM 0 HB3 ALA A 25 2.444 -9.677 -5.495 1.00 0.00 H new ATOM 322 N PHE A 26 4.269 -6.239 -4.828 1.00 0.00 N ATOM 323 CA PHE A 26 3.755 -4.947 -4.388 1.00 0.00 C ATOM 324 C PHE A 26 2.464 -4.598 -5.124 1.00 0.00 C ATOM 325 O PHE A 26 1.520 -4.075 -4.531 1.00 0.00 O ATOM 326 CB PHE A 26 4.799 -3.853 -4.619 1.00 0.00 C ATOM 327 CG PHE A 26 4.217 -2.469 -4.664 1.00 0.00 C ATOM 328 CD1 PHE A 26 3.570 -2.013 -5.801 1.00 0.00 C ATOM 329 CD2 PHE A 26 4.317 -1.625 -3.570 1.00 0.00 C ATOM 330 CE1 PHE A 26 3.034 -0.739 -5.846 1.00 0.00 C ATOM 331 CE2 PHE A 26 3.783 -0.351 -3.609 1.00 0.00 C ATOM 332 CZ PHE A 26 3.139 0.092 -4.748 1.00 0.00 C ATOM 0 H PHE A 26 5.142 -6.188 -5.353 1.00 0.00 H new ATOM 0 HA PHE A 26 3.539 -5.013 -3.322 1.00 0.00 H new ATOM 0 HB2 PHE A 26 5.544 -3.900 -3.825 1.00 0.00 H new ATOM 0 HB3 PHE A 26 5.319 -4.050 -5.556 1.00 0.00 H new ATOM 0 HD1 PHE A 26 3.483 -2.660 -6.662 1.00 0.00 H new ATOM 0 HD2 PHE A 26 4.818 -1.967 -2.676 1.00 0.00 H new ATOM 0 HE1 PHE A 26 2.534 -0.394 -6.739 1.00 0.00 H new ATOM 0 HE2 PHE A 26 3.869 0.298 -2.750 1.00 0.00 H new ATOM 0 HZ PHE A 26 2.718 1.086 -4.780 1.00 0.00 H new ATOM 342 N LYS A 27 2.431 -4.889 -6.420 1.00 0.00 N ATOM 343 CA LYS A 27 1.258 -4.607 -7.238 1.00 0.00 C ATOM 344 C LYS A 27 0.650 -5.897 -7.781 1.00 0.00 C ATOM 345 O LYS A 27 1.174 -6.987 -7.550 1.00 0.00 O ATOM 346 CB LYS A 27 1.630 -3.680 -8.397 1.00 0.00 C ATOM 347 CG LYS A 27 2.747 -4.219 -9.273 1.00 0.00 C ATOM 348 CD LYS A 27 3.549 -3.096 -9.909 1.00 0.00 C ATOM 349 CE LYS A 27 2.751 -2.386 -10.993 1.00 0.00 C ATOM 350 NZ LYS A 27 3.621 -1.545 -11.861 1.00 0.00 N ATOM 0 H LYS A 27 3.204 -5.320 -6.927 1.00 0.00 H new ATOM 0 HA LYS A 27 0.518 -4.113 -6.609 1.00 0.00 H new ATOM 0 HB2 LYS A 27 0.747 -3.510 -9.013 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.930 -2.712 -7.995 1.00 0.00 H new ATOM 0 HG2 LYS A 27 3.408 -4.846 -8.676 1.00 0.00 H new ATOM 0 HG3 LYS A 27 2.325 -4.853 -10.053 1.00 0.00 H new ATOM 0 HD2 LYS A 27 3.843 -2.378 -9.143 1.00 0.00 H new ATOM 0 HD3 LYS A 27 4.467 -3.500 -10.337 1.00 0.00 H new ATOM 0 HE2 LYS A 27 2.233 -3.124 -11.605 1.00 0.00 H new ATOM 0 HE3 LYS A 27 1.986 -1.761 -10.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 3.040 -1.078 -12.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 4.096 -0.824 -11.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 4.335 -2.145 -12.322 1.00 0.00 H new ATOM 364 N CYS A 28 -0.457 -5.766 -8.504 1.00 0.00 N ATOM 365 CA CYS A 28 -1.136 -6.920 -9.081 1.00 0.00 C ATOM 366 C CYS A 28 -0.344 -7.484 -10.257 1.00 0.00 C ATOM 367 O CYS A 28 0.502 -6.802 -10.833 1.00 0.00 O ATOM 368 CB CYS A 28 -2.544 -6.534 -9.537 1.00 0.00 C ATOM 369 SG CYS A 28 -3.744 -7.904 -9.486 1.00 0.00 S ATOM 0 H CYS A 28 -0.903 -4.871 -8.704 1.00 0.00 H new ATOM 0 HA CYS A 28 -1.209 -7.690 -8.313 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -2.908 -5.722 -8.907 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -2.492 -6.149 -10.555 1.00 0.00 H new ATOM 374 N MET A 29 -0.627 -8.735 -10.607 1.00 0.00 N ATOM 375 CA MET A 29 0.057 -9.391 -11.716 1.00 0.00 C ATOM 376 C MET A 29 -0.855 -9.490 -12.935 1.00 0.00 C ATOM 377 O MET A 29 -0.385 -9.528 -14.071 1.00 0.00 O ATOM 378 CB MET A 29 0.525 -10.786 -11.300 1.00 0.00 C ATOM 379 CG MET A 29 1.795 -10.777 -10.464 1.00 0.00 C ATOM 380 SD MET A 29 3.156 -9.919 -11.277 1.00 0.00 S ATOM 381 CE MET A 29 3.808 -8.952 -9.918 1.00 0.00 C ATOM 0 H MET A 29 -1.324 -9.314 -10.139 1.00 0.00 H new ATOM 0 HA MET A 29 0.926 -8.789 -11.982 1.00 0.00 H new ATOM 0 HB2 MET A 29 -0.269 -11.273 -10.734 1.00 0.00 H new ATOM 0 HB3 MET A 29 0.693 -11.386 -12.195 1.00 0.00 H new ATOM 0 HG2 MET A 29 1.591 -10.300 -9.505 1.00 0.00 H new ATOM 0 HG3 MET A 29 2.093 -11.804 -10.252 1.00 0.00 H new ATOM 0 HE1 MET A 29 4.658 -8.365 -10.264 1.00 0.00 H new ATOM 0 HE2 MET A 29 3.033 -8.283 -9.543 1.00 0.00 H new ATOM 0 HE3 MET A 29 4.130 -9.619 -9.118 1.00 0.00 H new ATOM 391 N MET A 30 -2.161 -9.532 -12.690 1.00 0.00 N ATOM 392 CA MET A 30 -3.138 -9.626 -13.768 1.00 0.00 C ATOM 393 C MET A 30 -3.462 -8.246 -14.330 1.00 0.00 C ATOM 394 O MET A 30 -3.221 -7.971 -15.506 1.00 0.00 O ATOM 395 CB MET A 30 -4.417 -10.300 -13.269 1.00 0.00 C ATOM 396 CG MET A 30 -5.675 -9.805 -13.964 1.00 0.00 C ATOM 397 SD MET A 30 -5.696 -10.197 -15.724 1.00 0.00 S ATOM 398 CE MET A 30 -6.046 -8.586 -16.425 1.00 0.00 C ATOM 0 H MET A 30 -2.567 -9.502 -11.755 1.00 0.00 H new ATOM 0 HA MET A 30 -2.705 -10.231 -14.565 1.00 0.00 H new ATOM 0 HB2 MET A 30 -4.331 -11.377 -13.414 1.00 0.00 H new ATOM 0 HB3 MET A 30 -4.513 -10.130 -12.197 1.00 0.00 H new ATOM 0 HG2 MET A 30 -6.548 -10.249 -13.486 1.00 0.00 H new ATOM 0 HG3 MET A 30 -5.756 -8.726 -13.835 1.00 0.00 H new ATOM 0 HE1 MET A 30 -7.041 -8.591 -16.870 1.00 0.00 H new ATOM 0 HE2 MET A 30 -6.003 -7.831 -15.640 1.00 0.00 H new ATOM 0 HE3 MET A 30 -5.307 -8.355 -17.192 1.00 0.00 H new ATOM 408 N CYS A 31 -4.009 -7.381 -13.483 1.00 0.00 N ATOM 409 CA CYS A 31 -4.367 -6.029 -13.895 1.00 0.00 C ATOM 410 C CYS A 31 -3.172 -5.089 -13.774 1.00 0.00 C ATOM 411 O CYS A 31 -3.175 -3.989 -14.326 1.00 0.00 O ATOM 412 CB CYS A 31 -5.529 -5.506 -13.048 1.00 0.00 C ATOM 413 SG CYS A 31 -5.055 -5.013 -11.360 1.00 0.00 S ATOM 0 H CYS A 31 -4.214 -7.592 -12.506 1.00 0.00 H new ATOM 0 HA CYS A 31 -4.675 -6.064 -14.940 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -5.976 -4.650 -13.553 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -6.297 -6.277 -12.988 1.00 0.00 H new ATOM 418 N ASP A 32 -2.151 -5.530 -13.047 1.00 0.00 N ATOM 419 CA ASP A 32 -0.947 -4.729 -12.854 1.00 0.00 C ATOM 420 C ASP A 32 -1.297 -3.341 -12.327 1.00 0.00 C ATOM 421 O ASP A 32 -0.738 -2.338 -12.771 1.00 0.00 O ATOM 422 CB ASP A 32 -0.172 -4.610 -14.167 1.00 0.00 C ATOM 423 CG ASP A 32 0.633 -5.856 -14.480 1.00 0.00 C ATOM 424 OD1 ASP A 32 1.067 -6.537 -13.527 1.00 0.00 O ATOM 425 OD2 ASP A 32 0.827 -6.151 -15.677 1.00 0.00 O ATOM 0 H ASP A 32 -2.133 -6.437 -12.582 1.00 0.00 H new ATOM 0 HA ASP A 32 -0.321 -5.231 -12.116 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -0.870 -4.418 -14.982 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.498 -3.752 -14.113 1.00 0.00 H new ATOM 430 N VAL A 33 -2.226 -3.290 -11.378 1.00 0.00 N ATOM 431 CA VAL A 33 -2.651 -2.025 -10.791 1.00 0.00 C ATOM 432 C VAL A 33 -2.239 -1.934 -9.326 1.00 0.00 C ATOM 433 O VAL A 33 -2.228 -2.936 -8.610 1.00 0.00 O ATOM 434 CB VAL A 33 -4.177 -1.842 -10.896 1.00 0.00 C ATOM 435 CG1 VAL A 33 -4.604 -0.536 -10.244 1.00 0.00 C ATOM 436 CG2 VAL A 33 -4.620 -1.891 -12.351 1.00 0.00 C ATOM 0 H VAL A 33 -2.699 -4.111 -10.999 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.158 -1.233 -11.354 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.662 -2.661 -10.364 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -5.685 -0.424 -10.328 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -4.321 -0.545 -9.191 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -4.113 0.298 -10.745 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -5.701 -1.760 -12.407 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -4.129 -1.093 -12.908 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -4.349 -2.855 -12.782 1.00 0.00 H new ATOM 446 N ARG A 34 -1.902 -0.726 -8.886 1.00 0.00 N ATOM 447 CA ARG A 34 -1.489 -0.504 -7.505 1.00 0.00 C ATOM 448 C ARG A 34 -2.512 -1.081 -6.532 1.00 0.00 C ATOM 449 O ARG A 34 -3.704 -1.150 -6.834 1.00 0.00 O ATOM 450 CB ARG A 34 -1.304 0.992 -7.241 1.00 0.00 C ATOM 451 CG ARG A 34 -2.613 1.752 -7.101 1.00 0.00 C ATOM 452 CD ARG A 34 -2.396 3.128 -6.492 1.00 0.00 C ATOM 453 NE ARG A 34 -3.635 3.898 -6.422 1.00 0.00 N ATOM 454 CZ ARG A 34 -3.674 5.225 -6.374 1.00 0.00 C ATOM 455 NH1 ARG A 34 -2.549 5.926 -6.388 1.00 0.00 N ATOM 456 NH2 ARG A 34 -4.841 5.853 -6.311 1.00 0.00 N ATOM 0 H ARG A 34 -1.907 0.114 -9.465 1.00 0.00 H new ATOM 0 HA ARG A 34 -0.538 -1.014 -7.349 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -0.719 1.122 -6.331 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -0.726 1.427 -8.056 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -3.081 1.856 -8.080 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -3.301 1.181 -6.477 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -1.980 3.019 -5.490 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -1.662 3.675 -7.084 1.00 0.00 H new ATOM 0 HE ARG A 34 -4.519 3.389 -6.409 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -1.650 5.447 -6.436 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -2.582 6.945 -6.351 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -5.709 5.317 -6.299 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -4.871 6.872 -6.274 1.00 0.00 H new ATOM 470 N LYS A 35 -2.039 -1.495 -5.361 1.00 0.00 N ATOM 471 CA LYS A 35 -2.912 -2.066 -4.342 1.00 0.00 C ATOM 472 C LYS A 35 -3.043 -1.124 -3.149 1.00 0.00 C ATOM 473 O LYS A 35 -4.093 -1.057 -2.511 1.00 0.00 O ATOM 474 CB LYS A 35 -2.371 -3.420 -3.879 1.00 0.00 C ATOM 475 CG LYS A 35 -1.245 -3.311 -2.865 1.00 0.00 C ATOM 476 CD LYS A 35 -1.054 -4.612 -2.102 1.00 0.00 C ATOM 477 CE LYS A 35 -1.939 -4.668 -0.866 1.00 0.00 C ATOM 478 NZ LYS A 35 -1.579 -3.614 0.122 1.00 0.00 N ATOM 0 H LYS A 35 -1.056 -1.446 -5.094 1.00 0.00 H new ATOM 0 HA LYS A 35 -3.899 -2.207 -4.782 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -3.186 -3.998 -3.443 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -2.015 -3.975 -4.747 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -0.319 -3.048 -3.376 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -1.462 -2.505 -2.164 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -1.284 -5.455 -2.754 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -0.009 -4.713 -1.808 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -2.982 -4.549 -1.160 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -1.849 -5.649 -0.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -1.350 -4.057 1.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -0.753 -3.083 -0.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -2.382 -2.964 0.244 1.00 0.00 H new ATOM 492 N GLY A 36 -1.970 -0.397 -2.853 1.00 0.00 N ATOM 493 CA GLY A 36 -1.987 0.532 -1.739 1.00 0.00 C ATOM 494 C GLY A 36 -0.685 0.531 -0.963 1.00 0.00 C ATOM 495 O GLY A 36 -0.468 -0.321 -0.100 1.00 0.00 O ATOM 0 H GLY A 36 -1.089 -0.435 -3.365 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -2.184 1.537 -2.111 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -2.806 0.275 -1.068 1.00 0.00 H new ATOM 499 N THR A 37 0.186 1.487 -1.270 1.00 0.00 N ATOM 500 CA THR A 37 1.475 1.591 -0.597 1.00 0.00 C ATOM 501 C THR A 37 1.331 1.369 0.904 1.00 0.00 C ATOM 502 O THR A 37 2.121 0.647 1.513 1.00 0.00 O ATOM 503 CB THR A 37 2.126 2.966 -0.841 1.00 0.00 C ATOM 504 OG1 THR A 37 2.282 3.192 -2.246 1.00 0.00 O ATOM 505 CG2 THR A 37 3.481 3.052 -0.155 1.00 0.00 C ATOM 0 H THR A 37 0.022 2.200 -1.980 1.00 0.00 H new ATOM 0 HA THR A 37 2.115 0.814 -1.016 1.00 0.00 H new ATOM 0 HB THR A 37 1.474 3.732 -0.421 1.00 0.00 H new ATOM 0 HG1 THR A 37 2.695 4.069 -2.392 1.00 0.00 H new ATOM 0 HG21 THR A 37 3.922 4.031 -0.341 1.00 0.00 H new ATOM 0 HG22 THR A 37 3.355 2.909 0.918 1.00 0.00 H new ATOM 0 HG23 THR A 37 4.139 2.277 -0.550 1.00 0.00 H new ATOM 513 N SER A 38 0.318 1.993 1.496 1.00 0.00 N ATOM 514 CA SER A 38 0.072 1.865 2.928 1.00 0.00 C ATOM 515 C SER A 38 -1.270 1.188 3.191 1.00 0.00 C ATOM 516 O SER A 38 -2.036 0.920 2.265 1.00 0.00 O ATOM 517 CB SER A 38 0.103 3.241 3.596 1.00 0.00 C ATOM 518 OG SER A 38 1.300 3.932 3.286 1.00 0.00 O ATOM 0 H SER A 38 -0.346 2.593 1.006 1.00 0.00 H new ATOM 0 HA SER A 38 0.861 1.244 3.354 1.00 0.00 H new ATOM 0 HB2 SER A 38 -0.755 3.828 3.267 1.00 0.00 H new ATOM 0 HB3 SER A 38 0.015 3.126 4.676 1.00 0.00 H new ATOM 0 HG SER A 38 1.294 4.809 3.723 1.00 0.00 H new ATOM 524 N THR A 39 -1.548 0.915 4.461 1.00 0.00 N ATOM 525 CA THR A 39 -2.796 0.269 4.848 1.00 0.00 C ATOM 526 C THR A 39 -3.530 1.081 5.909 1.00 0.00 C ATOM 527 O THR A 39 -2.913 1.823 6.674 1.00 0.00 O ATOM 528 CB THR A 39 -2.549 -1.153 5.387 1.00 0.00 C ATOM 529 OG1 THR A 39 -1.625 -1.110 6.480 1.00 0.00 O ATOM 530 CG2 THR A 39 -2.006 -2.059 4.292 1.00 0.00 C ATOM 0 H THR A 39 -0.926 1.131 5.240 1.00 0.00 H new ATOM 0 HA THR A 39 -3.411 0.208 3.950 1.00 0.00 H new ATOM 0 HB THR A 39 -3.500 -1.557 5.733 1.00 0.00 H new ATOM 0 HG1 THR A 39 -2.065 -0.724 7.266 1.00 0.00 H new ATOM 0 HG21 THR A 39 -1.839 -3.058 4.696 1.00 0.00 H new ATOM 0 HG22 THR A 39 -2.725 -2.113 3.475 1.00 0.00 H new ATOM 0 HG23 THR A 39 -1.064 -1.656 3.920 1.00 0.00 H new ATOM 538 N ARG A 40 -4.851 0.936 5.950 1.00 0.00 N ATOM 539 CA ARG A 40 -5.669 1.657 6.918 1.00 0.00 C ATOM 540 C ARG A 40 -4.959 1.753 8.265 1.00 0.00 C ATOM 541 O ARG A 40 -4.785 2.843 8.812 1.00 0.00 O ATOM 542 CB ARG A 40 -7.022 0.965 7.090 1.00 0.00 C ATOM 543 CG ARG A 40 -8.076 1.842 7.746 1.00 0.00 C ATOM 544 CD ARG A 40 -9.248 1.018 8.255 1.00 0.00 C ATOM 545 NE ARG A 40 -9.032 0.541 9.618 1.00 0.00 N ATOM 546 CZ ARG A 40 -9.617 -0.541 10.119 1.00 0.00 C ATOM 547 NH1 ARG A 40 -10.450 -1.254 9.374 1.00 0.00 N ATOM 548 NH2 ARG A 40 -9.369 -0.912 11.369 1.00 0.00 N ATOM 0 H ARG A 40 -5.377 0.326 5.324 1.00 0.00 H new ATOM 0 HA ARG A 40 -5.831 2.666 6.540 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -7.384 0.646 6.113 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -6.886 0.065 7.689 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -7.629 2.392 8.574 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -8.434 2.581 7.029 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -10.156 1.620 8.222 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -9.406 0.166 7.594 1.00 0.00 H new ATOM 0 HE ARG A 40 -8.397 1.067 10.218 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -10.643 -0.972 8.413 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -10.898 -2.084 9.762 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -8.729 -0.366 11.946 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -9.819 -1.743 11.753 1.00 0.00 H new ATOM 562 N LYS A 41 -4.551 0.605 8.797 1.00 0.00 N ATOM 563 CA LYS A 41 -3.860 0.559 10.079 1.00 0.00 C ATOM 564 C LYS A 41 -2.354 0.705 9.891 1.00 0.00 C ATOM 565 O LYS A 41 -1.677 -0.192 9.388 1.00 0.00 O ATOM 566 CB LYS A 41 -4.169 -0.755 10.801 1.00 0.00 C ATOM 567 CG LYS A 41 -3.673 -0.792 12.236 1.00 0.00 C ATOM 568 CD LYS A 41 -4.187 -2.018 12.972 1.00 0.00 C ATOM 569 CE LYS A 41 -3.450 -2.229 14.286 1.00 0.00 C ATOM 570 NZ LYS A 41 -3.662 -3.600 14.827 1.00 0.00 N ATOM 0 H LYS A 41 -4.688 -0.306 8.359 1.00 0.00 H new ATOM 0 HA LYS A 41 -4.215 1.392 10.685 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -5.247 -0.919 10.794 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -3.717 -1.579 10.248 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -2.583 -0.791 12.245 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -3.997 0.109 12.757 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -5.254 -1.907 13.166 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -4.068 -2.899 12.341 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -2.384 -2.059 14.136 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -3.791 -1.494 15.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -3.144 -3.704 15.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -4.677 -3.754 14.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -3.314 -4.301 14.142 1.00 0.00 H new ATOM 584 N PRO A 42 -1.814 1.861 10.306 1.00 0.00 N ATOM 585 CA PRO A 42 -0.382 2.151 10.195 1.00 0.00 C ATOM 586 C PRO A 42 0.456 1.305 11.148 1.00 0.00 C ATOM 587 O PRO A 42 1.682 1.258 11.037 1.00 0.00 O ATOM 588 CB PRO A 42 -0.289 3.631 10.572 1.00 0.00 C ATOM 589 CG PRO A 42 -1.478 3.877 11.436 1.00 0.00 C ATOM 590 CD PRO A 42 -2.561 2.974 10.915 1.00 0.00 C ATOM 0 HA PRO A 42 0.003 1.926 9.201 1.00 0.00 H new ATOM 0 HB2 PRO A 42 0.638 3.847 11.103 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -0.304 4.267 9.687 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -1.254 3.657 12.480 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -1.785 4.922 11.390 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -3.215 2.628 11.715 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -3.191 3.482 10.185 1.00 0.00 H new ATOM 598 N ARG A 43 -0.212 0.637 12.083 1.00 0.00 N ATOM 599 CA ARG A 43 0.472 -0.207 13.055 1.00 0.00 C ATOM 600 C ARG A 43 0.774 -1.581 12.465 1.00 0.00 C ATOM 601 O ARG A 43 0.183 -2.000 11.470 1.00 0.00 O ATOM 602 CB ARG A 43 -0.378 -0.358 14.318 1.00 0.00 C ATOM 603 CG ARG A 43 -0.106 0.709 15.366 1.00 0.00 C ATOM 604 CD ARG A 43 -0.708 2.047 14.968 1.00 0.00 C ATOM 605 NE ARG A 43 -0.118 3.156 15.713 1.00 0.00 N ATOM 606 CZ ARG A 43 1.031 3.735 15.382 1.00 0.00 C ATOM 607 NH1 ARG A 43 1.708 3.313 14.323 1.00 0.00 N ATOM 608 NH2 ARG A 43 1.503 4.739 16.109 1.00 0.00 N ATOM 0 H ARG A 43 -1.226 0.664 12.188 1.00 0.00 H new ATOM 0 HA ARG A 43 1.416 0.273 13.315 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -1.432 -0.324 14.043 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -0.194 -1.340 14.755 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -0.519 0.393 16.324 1.00 0.00 H new ATOM 0 HG3 ARG A 43 0.970 0.819 15.504 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -0.560 2.208 13.900 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -1.784 2.026 15.141 1.00 0.00 H new ATOM 0 HE ARG A 43 -0.615 3.505 16.532 1.00 0.00 H new ATOM 0 HH11 ARG A 43 1.347 2.542 13.761 1.00 0.00 H new ATOM 0 HH12 ARG A 43 2.590 3.759 14.071 1.00 0.00 H new ATOM 0 HH21 ARG A 43 0.984 5.067 16.923 1.00 0.00 H new ATOM 0 HH22 ARG A 43 2.385 5.183 15.854 1.00 0.00 H new ATOM 622 N PRO A 44 1.718 -2.300 13.092 1.00 0.00 N ATOM 623 CA PRO A 44 2.120 -3.637 12.646 1.00 0.00 C ATOM 624 C PRO A 44 1.032 -4.678 12.881 1.00 0.00 C ATOM 625 O PRO A 44 0.185 -4.519 13.761 1.00 0.00 O ATOM 626 CB PRO A 44 3.348 -3.943 13.507 1.00 0.00 C ATOM 627 CG PRO A 44 3.169 -3.113 14.731 1.00 0.00 C ATOM 628 CD PRO A 44 2.464 -1.862 14.283 1.00 0.00 C ATOM 0 HA PRO A 44 2.315 -3.668 11.574 1.00 0.00 H new ATOM 0 HB2 PRO A 44 3.405 -5.003 13.753 1.00 0.00 H new ATOM 0 HB3 PRO A 44 4.271 -3.686 12.986 1.00 0.00 H new ATOM 0 HG2 PRO A 44 2.583 -3.644 15.481 1.00 0.00 H new ATOM 0 HG3 PRO A 44 4.131 -2.877 15.187 1.00 0.00 H new ATOM 0 HD2 PRO A 44 1.798 -1.477 15.055 1.00 0.00 H new ATOM 0 HD3 PRO A 44 3.170 -1.066 14.045 1.00 0.00 H new ATOM 636 N VAL A 45 1.059 -5.746 12.090 1.00 0.00 N ATOM 637 CA VAL A 45 0.076 -6.815 12.214 1.00 0.00 C ATOM 638 C VAL A 45 0.543 -7.881 13.198 1.00 0.00 C ATOM 639 O VAL A 45 -0.266 -8.499 13.890 1.00 0.00 O ATOM 640 CB VAL A 45 -0.207 -7.478 10.852 1.00 0.00 C ATOM 641 CG1 VAL A 45 -0.860 -6.487 9.901 1.00 0.00 C ATOM 642 CG2 VAL A 45 1.076 -8.036 10.255 1.00 0.00 C ATOM 0 H VAL A 45 1.752 -5.894 11.356 1.00 0.00 H new ATOM 0 HA VAL A 45 -0.841 -6.359 12.586 1.00 0.00 H new ATOM 0 HB VAL A 45 -0.899 -8.306 11.007 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -1.052 -6.973 8.945 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -1.801 -6.140 10.327 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -0.195 -5.637 9.749 1.00 0.00 H new ATOM 0 HG21 VAL A 45 0.858 -8.501 9.293 1.00 0.00 H new ATOM 0 HG22 VAL A 45 1.793 -7.227 10.113 1.00 0.00 H new ATOM 0 HG23 VAL A 45 1.498 -8.780 10.930 1.00 0.00 H new ATOM 652 N SER A 46 1.854 -8.091 13.256 1.00 0.00 N ATOM 653 CA SER A 46 2.430 -9.085 14.154 1.00 0.00 C ATOM 654 C SER A 46 3.944 -8.921 14.247 1.00 0.00 C ATOM 655 O SER A 46 4.570 -8.330 13.367 1.00 0.00 O ATOM 656 CB SER A 46 2.088 -10.497 13.673 1.00 0.00 C ATOM 657 OG SER A 46 2.588 -11.476 14.568 1.00 0.00 O ATOM 0 H SER A 46 2.537 -7.586 12.692 1.00 0.00 H new ATOM 0 HA SER A 46 2.004 -8.933 15.145 1.00 0.00 H new ATOM 0 HB2 SER A 46 1.007 -10.602 13.582 1.00 0.00 H new ATOM 0 HB3 SER A 46 2.509 -10.658 12.681 1.00 0.00 H new ATOM 0 HG SER A 46 2.355 -12.369 14.239 1.00 0.00 H new ATOM 663 N GLN A 47 4.525 -9.448 15.320 1.00 0.00 N ATOM 664 CA GLN A 47 5.966 -9.359 15.529 1.00 0.00 C ATOM 665 C GLN A 47 6.726 -9.900 14.323 1.00 0.00 C ATOM 666 O GLN A 47 6.358 -10.930 13.757 1.00 0.00 O ATOM 667 CB GLN A 47 6.368 -10.129 16.788 1.00 0.00 C ATOM 668 CG GLN A 47 7.631 -9.600 17.448 1.00 0.00 C ATOM 669 CD GLN A 47 8.893 -10.185 16.846 1.00 0.00 C ATOM 670 OE1 GLN A 47 8.881 -10.697 15.726 1.00 0.00 O ATOM 671 NE2 GLN A 47 9.992 -10.113 17.588 1.00 0.00 N ATOM 0 H GLN A 47 4.021 -9.941 16.057 1.00 0.00 H new ATOM 0 HA GLN A 47 6.225 -8.308 15.656 1.00 0.00 H new ATOM 0 HB2 GLN A 47 5.549 -10.088 17.506 1.00 0.00 H new ATOM 0 HB3 GLN A 47 6.515 -11.178 16.531 1.00 0.00 H new ATOM 0 HG2 GLN A 47 7.658 -8.514 17.354 1.00 0.00 H new ATOM 0 HG3 GLN A 47 7.602 -9.827 18.514 1.00 0.00 H new ATOM 0 HE21 GLN A 47 9.957 -9.680 18.511 1.00 0.00 H new ATOM 0 HE22 GLN A 47 10.871 -10.491 17.235 1.00 0.00 H new ATOM 680 N SER A 48 7.786 -9.200 13.935 1.00 0.00 N ATOM 681 CA SER A 48 8.596 -9.608 12.792 1.00 0.00 C ATOM 682 C SER A 48 9.773 -10.468 13.241 1.00 0.00 C ATOM 683 O SER A 48 10.550 -10.074 14.109 1.00 0.00 O ATOM 684 CB SER A 48 9.106 -8.379 12.037 1.00 0.00 C ATOM 685 OG SER A 48 8.061 -7.757 11.310 1.00 0.00 O ATOM 0 H SER A 48 8.105 -8.347 14.395 1.00 0.00 H new ATOM 0 HA SER A 48 7.969 -10.200 12.126 1.00 0.00 H new ATOM 0 HB2 SER A 48 9.536 -7.668 12.742 1.00 0.00 H new ATOM 0 HB3 SER A 48 9.903 -8.673 11.354 1.00 0.00 H new ATOM 0 HG SER A 48 8.412 -6.973 10.838 1.00 0.00 H new ATOM 691 N GLY A 49 9.898 -11.648 12.640 1.00 0.00 N ATOM 692 CA GLY A 49 10.982 -12.547 12.990 1.00 0.00 C ATOM 693 C GLY A 49 12.026 -12.649 11.896 1.00 0.00 C ATOM 694 O GLY A 49 11.754 -12.396 10.722 1.00 0.00 O ATOM 0 H GLY A 49 9.268 -11.997 11.918 1.00 0.00 H new ATOM 0 HA2 GLY A 49 11.455 -12.200 13.909 1.00 0.00 H new ATOM 0 HA3 GLY A 49 10.577 -13.538 13.195 1.00 0.00 H new ATOM 698 N PRO A 50 13.255 -13.027 12.279 1.00 0.00 N ATOM 699 CA PRO A 50 14.369 -13.169 11.337 1.00 0.00 C ATOM 700 C PRO A 50 14.189 -14.359 10.401 1.00 0.00 C ATOM 701 O PRO A 50 14.451 -15.502 10.777 1.00 0.00 O ATOM 702 CB PRO A 50 15.580 -13.385 12.249 1.00 0.00 C ATOM 703 CG PRO A 50 15.013 -13.962 13.500 1.00 0.00 C ATOM 704 CD PRO A 50 13.651 -13.345 13.661 1.00 0.00 C ATOM 0 HA PRO A 50 14.461 -12.303 10.681 1.00 0.00 H new ATOM 0 HB2 PRO A 50 16.303 -14.061 11.793 1.00 0.00 H new ATOM 0 HB3 PRO A 50 16.100 -12.447 12.446 1.00 0.00 H new ATOM 0 HG2 PRO A 50 14.944 -15.048 13.433 1.00 0.00 H new ATOM 0 HG3 PRO A 50 15.648 -13.736 14.357 1.00 0.00 H new ATOM 0 HD2 PRO A 50 12.950 -14.035 14.131 1.00 0.00 H new ATOM 0 HD3 PRO A 50 13.686 -12.452 14.285 1.00 0.00 H new ATOM 712 N SER A 51 13.740 -14.084 9.181 1.00 0.00 N ATOM 713 CA SER A 51 13.521 -15.133 8.192 1.00 0.00 C ATOM 714 C SER A 51 14.543 -15.037 7.063 1.00 0.00 C ATOM 715 O SER A 51 14.727 -13.976 6.466 1.00 0.00 O ATOM 716 CB SER A 51 12.104 -15.039 7.622 1.00 0.00 C ATOM 717 OG SER A 51 11.973 -15.822 6.448 1.00 0.00 O ATOM 0 H SER A 51 13.521 -13.143 8.853 1.00 0.00 H new ATOM 0 HA SER A 51 13.642 -16.096 8.688 1.00 0.00 H new ATOM 0 HB2 SER A 51 11.385 -15.375 8.369 1.00 0.00 H new ATOM 0 HB3 SER A 51 11.867 -13.999 7.397 1.00 0.00 H new ATOM 0 HG SER A 51 11.058 -15.746 6.105 1.00 0.00 H new ATOM 723 N SER A 52 15.205 -16.153 6.776 1.00 0.00 N ATOM 724 CA SER A 52 16.211 -16.195 5.721 1.00 0.00 C ATOM 725 C SER A 52 15.555 -16.214 4.344 1.00 0.00 C ATOM 726 O SER A 52 15.850 -15.377 3.492 1.00 0.00 O ATOM 727 CB SER A 52 17.105 -17.426 5.889 1.00 0.00 C ATOM 728 OG SER A 52 17.685 -17.462 7.181 1.00 0.00 O ATOM 0 H SER A 52 15.063 -17.040 7.259 1.00 0.00 H new ATOM 0 HA SER A 52 16.822 -15.296 5.800 1.00 0.00 H new ATOM 0 HB2 SER A 52 16.519 -18.330 5.725 1.00 0.00 H new ATOM 0 HB3 SER A 52 17.891 -17.414 5.134 1.00 0.00 H new ATOM 0 HG SER A 52 18.250 -18.258 7.264 1.00 0.00 H new ATOM 734 N GLY A 53 14.661 -17.175 4.134 1.00 0.00 N ATOM 735 CA GLY A 53 13.976 -17.286 2.859 1.00 0.00 C ATOM 736 C GLY A 53 12.581 -17.862 2.999 1.00 0.00 C ATOM 737 O GLY A 53 11.917 -18.077 1.986 1.00 0.00 O ATOM 0 H GLY A 53 14.399 -17.879 4.824 1.00 0.00 H new ATOM 0 HA2 GLY A 53 13.914 -16.301 2.396 1.00 0.00 H new ATOM 0 HA3 GLY A 53 14.561 -17.917 2.189 1.00 0.00 H new TER 741 GLY A 53 HETATM 742 ZN ZN A 201 -5.754 -6.872 -10.137 1.00 0.00 ZN