USER MOD reduce.3.24.130724 H: found=0, std=0, add=611, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 609 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 32 THR OG1 : rot 180:sc= -0.0601 USER MOD Set 1.2: A 33 SER OG : rot 180:sc= 0 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 10 GLN : amide:sc= -0.0085 K(o=-0.0085,f=-1) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= -0.204 K(o=-0.2,f=-1.4) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot -150:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0119) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -0.175 K(o=-0.18,f=-1.9!) USER MOD Single : A 31 MET CE :methyl 141:sc= -5.3! (180deg=-10.4!) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 CYS SG : rot -169:sc= -1.06 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 CYS SG : rot 180:sc= 0.0749 USER MOD Single : A 58 THR OG1 : rot 79:sc= 0.665 USER MOD Single : A 62 ASN : amide:sc= -0.0422 K(o=-0.042,f=-1.4) USER MOD Single : A 66 LYS NZ :NH3+ 163:sc= -0.0489 (180deg=-0.306) USER MOD Single : A 67 TYR OH : rot 30:sc= 0 USER MOD Single : A 70 MET CE :methyl 179:sc= -0.487 (180deg=-0.526) USER MOD Single : A 75 SER OG : rot 180:sc=-0.00899 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.911 -15.447 -3.804 1.00 0.00 N ATOM 2 CA GLY A 1 -10.529 -15.604 -5.108 1.00 0.00 C ATOM 3 C GLY A 1 -11.597 -14.562 -5.373 1.00 0.00 C ATOM 4 O GLY A 1 -12.477 -14.339 -4.541 1.00 0.00 O ATOM 0 H1 GLY A 1 -9.188 -16.183 -3.671 1.00 0.00 H new ATOM 0 H2 GLY A 1 -9.466 -14.509 -3.742 1.00 0.00 H new ATOM 0 H3 GLY A 1 -10.636 -15.536 -3.063 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.762 -15.538 -5.880 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.970 -16.598 -5.180 1.00 0.00 H new ATOM 8 N SER A 2 -11.521 -13.920 -6.534 1.00 0.00 N ATOM 9 CA SER A 2 -12.485 -12.891 -6.904 1.00 0.00 C ATOM 10 C SER A 2 -12.403 -12.580 -8.395 1.00 0.00 C ATOM 11 O SER A 2 -11.318 -12.368 -8.937 1.00 0.00 O ATOM 12 CB SER A 2 -12.241 -11.618 -6.092 1.00 0.00 C ATOM 13 OG SER A 2 -13.421 -10.838 -5.998 1.00 0.00 O ATOM 0 H SER A 2 -10.801 -14.095 -7.235 1.00 0.00 H new ATOM 0 HA SER A 2 -13.484 -13.268 -6.684 1.00 0.00 H new ATOM 0 HB2 SER A 2 -11.895 -11.881 -5.092 1.00 0.00 H new ATOM 0 HB3 SER A 2 -11.450 -11.031 -6.559 1.00 0.00 H new ATOM 0 HG SER A 2 -13.239 -10.031 -5.473 1.00 0.00 H new ATOM 19 N SER A 3 -13.558 -12.555 -9.053 1.00 0.00 N ATOM 20 CA SER A 3 -13.618 -12.274 -10.482 1.00 0.00 C ATOM 21 C SER A 3 -13.565 -10.772 -10.743 1.00 0.00 C ATOM 22 O SER A 3 -13.789 -9.965 -9.842 1.00 0.00 O ATOM 23 CB SER A 3 -14.893 -12.864 -11.087 1.00 0.00 C ATOM 24 OG SER A 3 -16.038 -12.141 -10.667 1.00 0.00 O ATOM 0 H SER A 3 -14.465 -12.726 -8.619 1.00 0.00 H new ATOM 0 HA SER A 3 -12.752 -12.738 -10.955 1.00 0.00 H new ATOM 0 HB2 SER A 3 -14.826 -12.845 -12.175 1.00 0.00 H new ATOM 0 HB3 SER A 3 -14.990 -13.909 -10.792 1.00 0.00 H new ATOM 0 HG SER A 3 -16.840 -12.536 -11.068 1.00 0.00 H new ATOM 30 N GLY A 4 -13.267 -10.403 -11.986 1.00 0.00 N ATOM 31 CA GLY A 4 -13.190 -8.999 -12.345 1.00 0.00 C ATOM 32 C GLY A 4 -14.256 -8.597 -13.345 1.00 0.00 C ATOM 33 O GLY A 4 -14.336 -9.161 -14.437 1.00 0.00 O ATOM 0 H GLY A 4 -13.078 -11.052 -12.750 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -13.292 -8.391 -11.446 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -12.206 -8.787 -12.763 1.00 0.00 H new ATOM 37 N SER A 5 -15.077 -7.621 -12.973 1.00 0.00 N ATOM 38 CA SER A 5 -16.147 -7.148 -13.843 1.00 0.00 C ATOM 39 C SER A 5 -16.201 -5.623 -13.858 1.00 0.00 C ATOM 40 O SER A 5 -15.866 -4.969 -12.871 1.00 0.00 O ATOM 41 CB SER A 5 -17.493 -7.712 -13.386 1.00 0.00 C ATOM 42 OG SER A 5 -18.420 -7.752 -14.457 1.00 0.00 O ATOM 0 H SER A 5 -15.022 -7.142 -12.074 1.00 0.00 H new ATOM 0 HA SER A 5 -15.940 -7.498 -14.854 1.00 0.00 H new ATOM 0 HB2 SER A 5 -17.353 -8.716 -12.985 1.00 0.00 H new ATOM 0 HB3 SER A 5 -17.892 -7.099 -12.578 1.00 0.00 H new ATOM 0 HG SER A 5 -19.272 -8.118 -14.139 1.00 0.00 H new ATOM 48 N SER A 6 -16.625 -5.063 -14.987 1.00 0.00 N ATOM 49 CA SER A 6 -16.719 -3.616 -15.134 1.00 0.00 C ATOM 50 C SER A 6 -17.337 -2.983 -13.891 1.00 0.00 C ATOM 51 O SER A 6 -18.063 -3.636 -13.143 1.00 0.00 O ATOM 52 CB SER A 6 -17.551 -3.260 -16.368 1.00 0.00 C ATOM 53 OG SER A 6 -17.408 -1.890 -16.702 1.00 0.00 O ATOM 0 H SER A 6 -16.909 -5.590 -15.813 1.00 0.00 H new ATOM 0 HA SER A 6 -15.710 -3.222 -15.259 1.00 0.00 H new ATOM 0 HB2 SER A 6 -17.240 -3.877 -17.211 1.00 0.00 H new ATOM 0 HB3 SER A 6 -18.601 -3.484 -16.179 1.00 0.00 H new ATOM 0 HG SER A 6 -17.948 -1.688 -17.495 1.00 0.00 H new ATOM 59 N GLY A 7 -17.041 -1.704 -13.676 1.00 0.00 N ATOM 60 CA GLY A 7 -17.575 -1.003 -12.523 1.00 0.00 C ATOM 61 C GLY A 7 -18.731 -0.091 -12.882 1.00 0.00 C ATOM 62 O GLY A 7 -18.545 0.923 -13.555 1.00 0.00 O ATOM 0 H GLY A 7 -16.441 -1.142 -14.280 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -17.907 -1.730 -11.782 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -16.782 -0.415 -12.060 1.00 0.00 H new ATOM 66 N ALA A 8 -19.929 -0.452 -12.435 1.00 0.00 N ATOM 67 CA ALA A 8 -21.120 0.341 -12.713 1.00 0.00 C ATOM 68 C ALA A 8 -20.862 1.824 -12.465 1.00 0.00 C ATOM 69 O ALA A 8 -21.013 2.650 -13.365 1.00 0.00 O ATOM 70 CB ALA A 8 -22.287 -0.143 -11.865 1.00 0.00 C ATOM 0 H ALA A 8 -20.101 -1.289 -11.878 1.00 0.00 H new ATOM 0 HA ALA A 8 -21.373 0.214 -13.765 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -23.169 0.458 -12.083 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -22.494 -1.188 -12.094 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -22.034 -0.046 -10.809 1.00 0.00 H new ATOM 76 N LEU A 9 -20.474 2.154 -11.238 1.00 0.00 N ATOM 77 CA LEU A 9 -20.196 3.538 -10.871 1.00 0.00 C ATOM 78 C LEU A 9 -18.748 3.702 -10.419 1.00 0.00 C ATOM 79 O LEU A 9 -18.153 2.777 -9.866 1.00 0.00 O ATOM 80 CB LEU A 9 -21.143 3.992 -9.758 1.00 0.00 C ATOM 81 CG LEU A 9 -22.589 4.259 -10.177 1.00 0.00 C ATOM 82 CD1 LEU A 9 -23.513 4.207 -8.969 1.00 0.00 C ATOM 83 CD2 LEU A 9 -22.702 5.605 -10.878 1.00 0.00 C ATOM 0 H LEU A 9 -20.345 1.483 -10.481 1.00 0.00 H new ATOM 0 HA LEU A 9 -20.355 4.160 -11.752 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -21.146 3.231 -8.978 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -20.740 4.902 -9.314 1.00 0.00 H new ATOM 0 HG LEU A 9 -22.893 3.481 -10.877 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -24.538 4.399 -9.286 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -23.455 3.221 -8.509 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -23.209 4.964 -8.246 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -23.738 5.778 -11.169 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -22.378 6.396 -10.201 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -22.071 5.607 -11.766 1.00 0.00 H new ATOM 95 N GLN A 10 -18.189 4.884 -10.656 1.00 0.00 N ATOM 96 CA GLN A 10 -16.811 5.168 -10.272 1.00 0.00 C ATOM 97 C GLN A 10 -16.737 5.644 -8.825 1.00 0.00 C ATOM 98 O GLN A 10 -16.963 6.819 -8.535 1.00 0.00 O ATOM 99 CB GLN A 10 -16.208 6.223 -11.200 1.00 0.00 C ATOM 100 CG GLN A 10 -14.801 6.644 -10.809 1.00 0.00 C ATOM 101 CD GLN A 10 -14.157 7.555 -11.836 1.00 0.00 C ATOM 102 OE1 GLN A 10 -14.476 7.492 -13.024 1.00 0.00 O ATOM 103 NE2 GLN A 10 -13.246 8.408 -11.383 1.00 0.00 N ATOM 0 H GLN A 10 -18.669 5.660 -11.112 1.00 0.00 H new ATOM 0 HA GLN A 10 -16.237 4.245 -10.362 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -16.192 5.833 -12.218 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -16.853 7.102 -11.205 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -14.833 7.154 -9.846 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -14.183 5.756 -10.679 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -13.013 8.426 -10.390 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -12.779 9.046 -12.028 1.00 0.00 H new ATOM 112 N ASP A 11 -16.419 4.724 -7.920 1.00 0.00 N ATOM 113 CA ASP A 11 -16.314 5.051 -6.503 1.00 0.00 C ATOM 114 C ASP A 11 -14.934 4.689 -5.963 1.00 0.00 C ATOM 115 O ASP A 11 -14.634 3.517 -5.732 1.00 0.00 O ATOM 116 CB ASP A 11 -17.395 4.317 -5.708 1.00 0.00 C ATOM 117 CG ASP A 11 -17.123 4.325 -4.216 1.00 0.00 C ATOM 118 OD1 ASP A 11 -16.574 5.331 -3.719 1.00 0.00 O ATOM 119 OD2 ASP A 11 -17.458 3.326 -3.546 1.00 0.00 O ATOM 0 H ASP A 11 -16.230 3.747 -8.143 1.00 0.00 H new ATOM 0 HA ASP A 11 -16.458 6.126 -6.391 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -18.362 4.782 -5.901 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -17.462 3.286 -6.057 1.00 0.00 H new ATOM 124 N ARG A 12 -14.098 5.702 -5.764 1.00 0.00 N ATOM 125 CA ARG A 12 -12.749 5.490 -5.253 1.00 0.00 C ATOM 126 C ARG A 12 -12.786 4.847 -3.870 1.00 0.00 C ATOM 127 O ARG A 12 -13.734 5.038 -3.109 1.00 0.00 O ATOM 128 CB ARG A 12 -11.990 6.817 -5.190 1.00 0.00 C ATOM 129 CG ARG A 12 -10.480 6.659 -5.248 1.00 0.00 C ATOM 130 CD ARG A 12 -9.818 7.864 -5.899 1.00 0.00 C ATOM 131 NE ARG A 12 -9.929 9.062 -5.072 1.00 0.00 N ATOM 132 CZ ARG A 12 -9.325 10.210 -5.357 1.00 0.00 C ATOM 133 NH1 ARG A 12 -8.571 10.315 -6.443 1.00 0.00 N ATOM 134 NH2 ARG A 12 -9.474 11.257 -4.555 1.00 0.00 N ATOM 0 H ARG A 12 -14.331 6.678 -5.949 1.00 0.00 H new ATOM 0 HA ARG A 12 -12.231 4.815 -5.935 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -12.312 7.450 -6.017 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -12.257 7.335 -4.269 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -10.088 6.528 -4.239 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -10.229 5.758 -5.807 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -8.766 7.645 -6.081 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -10.278 8.050 -6.870 1.00 0.00 H new ATOM 0 HE ARG A 12 -10.502 9.015 -4.229 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -8.454 9.513 -7.062 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -8.108 11.198 -6.659 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -10.053 11.180 -3.719 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -9.010 12.138 -4.775 1.00 0.00 H new ATOM 148 N THR A 13 -11.747 4.081 -3.551 1.00 0.00 N ATOM 149 CA THR A 13 -11.660 3.408 -2.261 1.00 0.00 C ATOM 150 C THR A 13 -10.859 4.235 -1.262 1.00 0.00 C ATOM 151 O THR A 13 -9.713 4.597 -1.522 1.00 0.00 O ATOM 152 CB THR A 13 -11.013 2.017 -2.396 1.00 0.00 C ATOM 153 OG1 THR A 13 -11.793 1.196 -3.273 1.00 0.00 O ATOM 154 CG2 THR A 13 -10.890 1.343 -1.037 1.00 0.00 C ATOM 0 H THR A 13 -10.954 3.911 -4.169 1.00 0.00 H new ATOM 0 HA THR A 13 -12.680 3.292 -1.896 1.00 0.00 H new ATOM 0 HB THR A 13 -10.014 2.145 -2.812 1.00 0.00 H new ATOM 0 HG1 THR A 13 -11.374 0.314 -3.355 1.00 0.00 H new ATOM 0 HG21 THR A 13 -10.430 0.362 -1.158 1.00 0.00 H new ATOM 0 HG22 THR A 13 -10.271 1.956 -0.382 1.00 0.00 H new ATOM 0 HG23 THR A 13 -11.881 1.228 -0.597 1.00 0.00 H new ATOM 162 N GLN A 14 -11.471 4.528 -0.119 1.00 0.00 N ATOM 163 CA GLN A 14 -10.813 5.312 0.920 1.00 0.00 C ATOM 164 C GLN A 14 -10.360 4.420 2.071 1.00 0.00 C ATOM 165 O GLN A 14 -11.157 3.677 2.645 1.00 0.00 O ATOM 166 CB GLN A 14 -11.754 6.399 1.441 1.00 0.00 C ATOM 167 CG GLN A 14 -11.058 7.451 2.289 1.00 0.00 C ATOM 168 CD GLN A 14 -10.233 8.416 1.460 1.00 0.00 C ATOM 169 OE1 GLN A 14 -9.185 8.052 0.924 1.00 0.00 O ATOM 170 NE2 GLN A 14 -10.701 9.653 1.350 1.00 0.00 N ATOM 0 H GLN A 14 -12.420 4.235 0.111 1.00 0.00 H new ATOM 0 HA GLN A 14 -9.933 5.783 0.482 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -12.236 6.888 0.594 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -12.543 5.933 2.031 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -11.805 8.009 2.854 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -10.412 6.958 3.015 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -11.574 9.911 1.811 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -10.188 10.346 0.805 1.00 0.00 H new ATOM 179 N PHE A 15 -9.076 4.498 2.403 1.00 0.00 N ATOM 180 CA PHE A 15 -8.516 3.697 3.486 1.00 0.00 C ATOM 181 C PHE A 15 -8.756 4.364 4.837 1.00 0.00 C ATOM 182 O PHE A 15 -8.833 5.589 4.932 1.00 0.00 O ATOM 183 CB PHE A 15 -7.017 3.484 3.268 1.00 0.00 C ATOM 184 CG PHE A 15 -6.702 2.410 2.267 1.00 0.00 C ATOM 185 CD1 PHE A 15 -7.017 1.087 2.528 1.00 0.00 C ATOM 186 CD2 PHE A 15 -6.092 2.724 1.063 1.00 0.00 C ATOM 187 CE1 PHE A 15 -6.728 0.097 1.608 1.00 0.00 C ATOM 188 CE2 PHE A 15 -5.801 1.739 0.139 1.00 0.00 C ATOM 189 CZ PHE A 15 -6.121 0.423 0.412 1.00 0.00 C ATOM 0 H PHE A 15 -8.403 5.108 1.938 1.00 0.00 H new ATOM 0 HA PHE A 15 -9.017 2.729 3.485 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -6.570 4.421 2.936 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -6.552 3.229 4.220 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -7.494 0.826 3.461 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -5.841 3.751 0.844 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -6.977 -0.931 1.825 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -5.324 1.997 -0.795 1.00 0.00 H new ATOM 0 HZ PHE A 15 -5.897 -0.349 -0.309 1.00 0.00 H new ATOM 199 N SER A 16 -8.875 3.548 5.880 1.00 0.00 N ATOM 200 CA SER A 16 -9.111 4.058 7.226 1.00 0.00 C ATOM 201 C SER A 16 -7.792 4.317 7.947 1.00 0.00 C ATOM 202 O SER A 16 -6.744 3.808 7.550 1.00 0.00 O ATOM 203 CB SER A 16 -9.958 3.068 8.027 1.00 0.00 C ATOM 204 OG SER A 16 -11.330 3.181 7.690 1.00 0.00 O ATOM 0 H SER A 16 -8.812 2.532 5.819 1.00 0.00 H new ATOM 0 HA SER A 16 -9.650 5.002 7.142 1.00 0.00 H new ATOM 0 HB2 SER A 16 -9.615 2.052 7.833 1.00 0.00 H new ATOM 0 HB3 SER A 16 -9.826 3.251 9.093 1.00 0.00 H new ATOM 0 HG SER A 16 -11.850 2.537 8.214 1.00 0.00 H new ATOM 210 N ASP A 17 -7.853 5.111 9.011 1.00 0.00 N ATOM 211 CA ASP A 17 -6.664 5.438 9.790 1.00 0.00 C ATOM 212 C ASP A 17 -5.908 4.173 10.184 1.00 0.00 C ATOM 213 O ASP A 17 -4.682 4.117 10.091 1.00 0.00 O ATOM 214 CB ASP A 17 -7.051 6.226 11.042 1.00 0.00 C ATOM 215 CG ASP A 17 -7.883 7.452 10.721 1.00 0.00 C ATOM 216 OD1 ASP A 17 -9.126 7.329 10.672 1.00 0.00 O ATOM 217 OD2 ASP A 17 -7.293 8.533 10.519 1.00 0.00 O ATOM 0 H ASP A 17 -8.713 5.540 9.354 1.00 0.00 H new ATOM 0 HA ASP A 17 -6.010 6.052 9.170 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -7.610 5.578 11.717 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -6.147 6.532 11.569 1.00 0.00 H new ATOM 222 N ARG A 18 -6.647 3.160 10.624 1.00 0.00 N ATOM 223 CA ARG A 18 -6.046 1.897 11.034 1.00 0.00 C ATOM 224 C ARG A 18 -5.325 1.233 9.865 1.00 0.00 C ATOM 225 O ARG A 18 -4.149 0.883 9.965 1.00 0.00 O ATOM 226 CB ARG A 18 -7.116 0.955 11.589 1.00 0.00 C ATOM 227 CG ARG A 18 -7.422 1.180 13.060 1.00 0.00 C ATOM 228 CD ARG A 18 -8.359 2.361 13.260 1.00 0.00 C ATOM 229 NE ARG A 18 -9.727 2.049 12.855 1.00 0.00 N ATOM 230 CZ ARG A 18 -10.572 1.346 13.601 1.00 0.00 C ATOM 231 NH1 ARG A 18 -10.192 0.885 14.785 1.00 0.00 N ATOM 232 NH2 ARG A 18 -11.801 1.103 13.164 1.00 0.00 N ATOM 0 H ARG A 18 -7.663 3.190 10.706 1.00 0.00 H new ATOM 0 HA ARG A 18 -5.316 2.108 11.816 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -8.033 1.080 11.013 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -6.789 -0.075 11.448 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -7.873 0.281 13.481 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -6.493 1.355 13.603 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -8.350 2.657 14.309 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -7.996 3.213 12.685 1.00 0.00 H new ATOM 0 HE ARG A 18 -10.051 2.389 11.950 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -9.248 1.070 15.125 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -10.843 0.346 15.355 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -12.098 1.456 12.254 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -12.449 0.563 13.738 1.00 0.00 H new ATOM 246 N ASP A 19 -6.038 1.063 8.757 1.00 0.00 N ATOM 247 CA ASP A 19 -5.467 0.441 7.567 1.00 0.00 C ATOM 248 C ASP A 19 -4.227 1.199 7.101 1.00 0.00 C ATOM 249 O ASP A 19 -3.190 0.598 6.818 1.00 0.00 O ATOM 250 CB ASP A 19 -6.503 0.393 6.444 1.00 0.00 C ATOM 251 CG ASP A 19 -7.693 -0.480 6.790 1.00 0.00 C ATOM 252 OD1 ASP A 19 -7.494 -1.515 7.462 1.00 0.00 O ATOM 253 OD2 ASP A 19 -8.823 -0.129 6.391 1.00 0.00 O ATOM 0 H ASP A 19 -7.013 1.347 8.658 1.00 0.00 H new ATOM 0 HA ASP A 19 -5.174 -0.577 7.823 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -6.848 1.404 6.229 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -6.032 0.017 5.536 1.00 0.00 H new ATOM 258 N LEU A 20 -4.342 2.520 7.022 1.00 0.00 N ATOM 259 CA LEU A 20 -3.231 3.360 6.589 1.00 0.00 C ATOM 260 C LEU A 20 -2.009 3.147 7.476 1.00 0.00 C ATOM 261 O LEU A 20 -0.906 2.909 6.984 1.00 0.00 O ATOM 262 CB LEU A 20 -3.641 4.833 6.611 1.00 0.00 C ATOM 263 CG LEU A 20 -4.441 5.326 5.404 1.00 0.00 C ATOM 264 CD1 LEU A 20 -4.961 6.734 5.648 1.00 0.00 C ATOM 265 CD2 LEU A 20 -3.588 5.281 4.145 1.00 0.00 C ATOM 0 H LEU A 20 -5.193 3.033 7.252 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.970 3.077 5.569 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.231 5.012 7.510 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.739 5.439 6.696 1.00 0.00 H new ATOM 0 HG LEU A 20 -5.296 4.664 5.263 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -5.528 7.068 4.779 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -5.608 6.736 6.526 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -4.121 7.408 5.815 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -4.173 5.635 3.296 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.714 5.919 4.275 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -3.265 4.256 3.961 1.00 0.00 H new ATOM 277 N ALA A 21 -2.214 3.231 8.786 1.00 0.00 N ATOM 278 CA ALA A 21 -1.130 3.044 9.742 1.00 0.00 C ATOM 279 C ALA A 21 -0.126 2.012 9.239 1.00 0.00 C ATOM 280 O ALA A 21 1.081 2.254 9.234 1.00 0.00 O ATOM 281 CB ALA A 21 -1.686 2.625 11.096 1.00 0.00 C ATOM 0 H ALA A 21 -3.121 3.427 9.210 1.00 0.00 H new ATOM 0 HA ALA A 21 -0.609 3.995 9.853 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.865 2.489 11.800 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.359 3.398 11.468 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -2.233 1.688 10.991 1.00 0.00 H new ATOM 287 N THR A 22 -0.633 0.857 8.817 1.00 0.00 N ATOM 288 CA THR A 22 0.219 -0.213 8.313 1.00 0.00 C ATOM 289 C THR A 22 1.026 0.249 7.105 1.00 0.00 C ATOM 290 O THR A 22 2.256 0.172 7.101 1.00 0.00 O ATOM 291 CB THR A 22 -0.608 -1.451 7.920 1.00 0.00 C ATOM 292 OG1 THR A 22 -1.470 -1.828 8.999 1.00 0.00 O ATOM 293 CG2 THR A 22 0.301 -2.617 7.560 1.00 0.00 C ATOM 0 H THR A 22 -1.629 0.639 8.814 1.00 0.00 H new ATOM 0 HA THR A 22 0.900 -0.481 9.120 1.00 0.00 H new ATOM 0 HB THR A 22 -1.209 -1.196 7.047 1.00 0.00 H new ATOM 0 HG1 THR A 22 -1.619 -2.796 8.976 1.00 0.00 H new ATOM 0 HG21 THR A 22 -0.306 -3.480 7.286 1.00 0.00 H new ATOM 0 HG22 THR A 22 0.935 -2.338 6.719 1.00 0.00 H new ATOM 0 HG23 THR A 22 0.925 -2.870 8.417 1.00 0.00 H new ATOM 301 N LEU A 23 0.329 0.731 6.082 1.00 0.00 N ATOM 302 CA LEU A 23 0.982 1.207 4.868 1.00 0.00 C ATOM 303 C LEU A 23 2.052 2.243 5.195 1.00 0.00 C ATOM 304 O LEU A 23 3.235 2.038 4.920 1.00 0.00 O ATOM 305 CB LEU A 23 -0.051 1.808 3.912 1.00 0.00 C ATOM 306 CG LEU A 23 -0.733 0.828 2.958 1.00 0.00 C ATOM 307 CD1 LEU A 23 -1.883 1.505 2.228 1.00 0.00 C ATOM 308 CD2 LEU A 23 0.273 0.263 1.965 1.00 0.00 C ATOM 0 H LEU A 23 -0.688 0.802 6.069 1.00 0.00 H new ATOM 0 HA LEU A 23 1.463 0.356 4.386 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.821 2.302 4.505 1.00 0.00 H new ATOM 0 HB3 LEU A 23 0.439 2.580 3.319 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.138 0.003 3.544 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.356 0.791 1.553 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.616 1.860 2.953 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.502 2.350 1.654 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.230 -0.433 1.294 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.708 1.077 1.385 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.062 -0.260 2.505 1.00 0.00 H new ATOM 320 N LYS A 24 1.630 3.355 5.787 1.00 0.00 N ATOM 321 CA LYS A 24 2.552 4.423 6.156 1.00 0.00 C ATOM 322 C LYS A 24 3.809 3.856 6.807 1.00 0.00 C ATOM 323 O LYS A 24 4.923 4.290 6.512 1.00 0.00 O ATOM 324 CB LYS A 24 1.870 5.406 7.111 1.00 0.00 C ATOM 325 CG LYS A 24 1.149 6.540 6.403 1.00 0.00 C ATOM 326 CD LYS A 24 0.097 7.176 7.297 1.00 0.00 C ATOM 327 CE LYS A 24 0.730 8.071 8.352 1.00 0.00 C ATOM 328 NZ LYS A 24 1.166 9.376 7.783 1.00 0.00 N ATOM 0 H LYS A 24 0.655 3.540 6.022 1.00 0.00 H new ATOM 0 HA LYS A 24 2.841 4.950 5.247 1.00 0.00 H new ATOM 0 HB2 LYS A 24 1.156 4.862 7.730 1.00 0.00 H new ATOM 0 HB3 LYS A 24 2.619 5.826 7.783 1.00 0.00 H new ATOM 0 HG2 LYS A 24 1.872 7.296 6.095 1.00 0.00 H new ATOM 0 HG3 LYS A 24 0.677 6.162 5.496 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -0.594 7.761 6.689 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -0.488 6.396 7.784 1.00 0.00 H new ATOM 0 HE2 LYS A 24 0.015 8.246 9.156 1.00 0.00 H new ATOM 0 HE3 LYS A 24 1.587 7.562 8.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 1.530 9.983 8.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 1.916 9.215 7.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 0.357 9.843 7.325 1.00 0.00 H new ATOM 342 N LYS A 25 3.624 2.882 7.692 1.00 0.00 N ATOM 343 CA LYS A 25 4.743 2.252 8.382 1.00 0.00 C ATOM 344 C LYS A 25 5.847 1.875 7.399 1.00 0.00 C ATOM 345 O LYS A 25 7.000 2.273 7.562 1.00 0.00 O ATOM 346 CB LYS A 25 4.269 1.007 9.135 1.00 0.00 C ATOM 347 CG LYS A 25 5.096 0.692 10.370 1.00 0.00 C ATOM 348 CD LYS A 25 6.261 -0.226 10.041 1.00 0.00 C ATOM 349 CE LYS A 25 7.030 -0.621 11.293 1.00 0.00 C ATOM 350 NZ LYS A 25 7.686 -1.950 11.144 1.00 0.00 N ATOM 0 H LYS A 25 2.709 2.512 7.948 1.00 0.00 H new ATOM 0 HA LYS A 25 5.147 2.970 9.096 1.00 0.00 H new ATOM 0 HB2 LYS A 25 3.229 1.145 9.430 1.00 0.00 H new ATOM 0 HB3 LYS A 25 4.298 0.151 8.460 1.00 0.00 H new ATOM 0 HG2 LYS A 25 5.473 1.619 10.803 1.00 0.00 H new ATOM 0 HG3 LYS A 25 4.463 0.223 11.123 1.00 0.00 H new ATOM 0 HD2 LYS A 25 5.890 -1.122 9.543 1.00 0.00 H new ATOM 0 HD3 LYS A 25 6.933 0.273 9.342 1.00 0.00 H new ATOM 0 HE2 LYS A 25 7.785 0.135 11.509 1.00 0.00 H new ATOM 0 HE3 LYS A 25 6.350 -0.645 12.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 8.200 -2.183 12.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 6.963 -2.676 10.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 8.354 -1.920 10.347 1.00 0.00 H new ATOM 364 N TYR A 26 5.485 1.106 6.378 1.00 0.00 N ATOM 365 CA TYR A 26 6.445 0.674 5.369 1.00 0.00 C ATOM 366 C TYR A 26 6.966 1.864 4.569 1.00 0.00 C ATOM 367 O TYR A 26 8.140 1.912 4.201 1.00 0.00 O ATOM 368 CB TYR A 26 5.803 -0.346 4.427 1.00 0.00 C ATOM 369 CG TYR A 26 5.445 -1.651 5.102 1.00 0.00 C ATOM 370 CD1 TYR A 26 6.375 -2.678 5.210 1.00 0.00 C ATOM 371 CD2 TYR A 26 4.177 -1.858 5.630 1.00 0.00 C ATOM 372 CE1 TYR A 26 6.053 -3.872 5.825 1.00 0.00 C ATOM 373 CE2 TYR A 26 3.846 -3.049 6.248 1.00 0.00 C ATOM 374 CZ TYR A 26 4.787 -4.053 6.343 1.00 0.00 C ATOM 375 OH TYR A 26 4.461 -5.240 6.956 1.00 0.00 O ATOM 0 H TYR A 26 4.534 0.769 6.227 1.00 0.00 H new ATOM 0 HA TYR A 26 7.286 0.206 5.881 1.00 0.00 H new ATOM 0 HB2 TYR A 26 4.902 0.089 3.994 1.00 0.00 H new ATOM 0 HB3 TYR A 26 6.487 -0.548 3.603 1.00 0.00 H new ATOM 0 HD1 TYR A 26 7.367 -2.540 4.806 1.00 0.00 H new ATOM 0 HD2 TYR A 26 3.437 -1.075 5.556 1.00 0.00 H new ATOM 0 HE1 TYR A 26 6.788 -4.660 5.900 1.00 0.00 H new ATOM 0 HE2 TYR A 26 2.856 -3.193 6.654 1.00 0.00 H new ATOM 0 HH TYR A 26 3.532 -5.204 7.266 1.00 0.00 H new ATOM 385 N TRP A 27 6.085 2.821 4.303 1.00 0.00 N ATOM 386 CA TRP A 27 6.455 4.012 3.547 1.00 0.00 C ATOM 387 C TRP A 27 7.601 4.754 4.226 1.00 0.00 C ATOM 388 O TRP A 27 8.368 5.462 3.573 1.00 0.00 O ATOM 389 CB TRP A 27 5.249 4.941 3.396 1.00 0.00 C ATOM 390 CG TRP A 27 5.597 6.277 2.812 1.00 0.00 C ATOM 391 CD1 TRP A 27 6.167 7.333 3.464 1.00 0.00 C ATOM 392 CD2 TRP A 27 5.396 6.699 1.459 1.00 0.00 C ATOM 393 NE1 TRP A 27 6.332 8.386 2.598 1.00 0.00 N ATOM 394 CE2 TRP A 27 5.868 8.023 1.361 1.00 0.00 C ATOM 395 CE3 TRP A 27 4.866 6.087 0.320 1.00 0.00 C ATOM 396 CZ2 TRP A 27 5.823 8.742 0.170 1.00 0.00 C ATOM 397 CZ3 TRP A 27 4.822 6.803 -0.861 1.00 0.00 C ATOM 398 CH2 TRP A 27 5.298 8.119 -0.929 1.00 0.00 C ATOM 0 H TRP A 27 5.109 2.796 4.599 1.00 0.00 H new ATOM 0 HA TRP A 27 6.787 3.695 2.558 1.00 0.00 H new ATOM 0 HB2 TRP A 27 4.505 4.458 2.762 1.00 0.00 H new ATOM 0 HB3 TRP A 27 4.789 5.088 4.373 1.00 0.00 H new ATOM 0 HD1 TRP A 27 6.447 7.339 4.507 1.00 0.00 H new ATOM 0 HE1 TRP A 27 6.735 9.292 2.837 1.00 0.00 H new ATOM 0 HE3 TRP A 27 4.497 5.073 0.362 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 6.190 9.756 0.115 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 4.414 6.340 -1.747 1.00 0.00 H new ATOM 0 HH2 TRP A 27 5.250 8.652 -1.867 1.00 0.00 H new ATOM 409 N ASP A 28 7.713 4.587 5.539 1.00 0.00 N ATOM 410 CA ASP A 28 8.767 5.240 6.306 1.00 0.00 C ATOM 411 C ASP A 28 10.080 4.472 6.189 1.00 0.00 C ATOM 412 O ASP A 28 11.109 4.900 6.710 1.00 0.00 O ATOM 413 CB ASP A 28 8.360 5.357 7.776 1.00 0.00 C ATOM 414 CG ASP A 28 9.252 6.307 8.550 1.00 0.00 C ATOM 415 OD1 ASP A 28 9.457 7.445 8.078 1.00 0.00 O ATOM 416 OD2 ASP A 28 9.747 5.913 9.627 1.00 0.00 O ATOM 0 H ASP A 28 7.086 4.005 6.095 1.00 0.00 H new ATOM 0 HA ASP A 28 8.914 6.240 5.897 1.00 0.00 H new ATOM 0 HB2 ASP A 28 7.328 5.701 7.838 1.00 0.00 H new ATOM 0 HB3 ASP A 28 8.396 4.371 8.239 1.00 0.00 H new ATOM 421 N ASN A 29 10.035 3.335 5.502 1.00 0.00 N ATOM 422 CA ASN A 29 11.221 2.506 5.318 1.00 0.00 C ATOM 423 C ASN A 29 11.678 2.527 3.863 1.00 0.00 C ATOM 424 O ASN A 29 12.437 1.662 3.427 1.00 0.00 O ATOM 425 CB ASN A 29 10.936 1.068 5.754 1.00 0.00 C ATOM 426 CG ASN A 29 12.204 0.291 6.048 1.00 0.00 C ATOM 427 OD1 ASN A 29 13.284 0.868 6.172 1.00 0.00 O ATOM 428 ND2 ASN A 29 12.078 -1.027 6.162 1.00 0.00 N ATOM 0 H ASN A 29 9.191 2.967 5.064 1.00 0.00 H new ATOM 0 HA ASN A 29 12.019 2.915 5.937 1.00 0.00 H new ATOM 0 HB2 ASN A 29 10.306 1.079 6.643 1.00 0.00 H new ATOM 0 HB3 ASN A 29 10.374 0.558 4.971 1.00 0.00 H new ATOM 0 HD21 ASN A 29 12.897 -1.602 6.360 1.00 0.00 H new ATOM 0 HD22 ASN A 29 11.163 -1.463 6.052 1.00 0.00 H new ATOM 435 N GLY A 30 11.212 3.524 3.116 1.00 0.00 N ATOM 436 CA GLY A 30 11.584 3.640 1.718 1.00 0.00 C ATOM 437 C GLY A 30 10.617 2.920 0.799 1.00 0.00 C ATOM 438 O GLY A 30 10.923 2.678 -0.368 1.00 0.00 O ATOM 0 H GLY A 30 10.584 4.253 3.454 1.00 0.00 H new ATOM 0 HA2 GLY A 30 11.626 4.694 1.443 1.00 0.00 H new ATOM 0 HA3 GLY A 30 12.586 3.234 1.577 1.00 0.00 H new ATOM 442 N MET A 31 9.446 2.577 1.326 1.00 0.00 N ATOM 443 CA MET A 31 8.431 1.880 0.544 1.00 0.00 C ATOM 444 C MET A 31 7.672 2.853 -0.351 1.00 0.00 C ATOM 445 O MET A 31 6.445 2.797 -0.448 1.00 0.00 O ATOM 446 CB MET A 31 7.455 1.152 1.470 1.00 0.00 C ATOM 447 CG MET A 31 6.756 -0.026 0.810 1.00 0.00 C ATOM 448 SD MET A 31 5.092 -0.293 1.451 1.00 0.00 S ATOM 449 CE MET A 31 4.198 1.028 0.636 1.00 0.00 C ATOM 0 H MET A 31 9.177 2.770 2.291 1.00 0.00 H new ATOM 0 HA MET A 31 8.934 1.149 -0.089 1.00 0.00 H new ATOM 0 HB2 MET A 31 7.995 0.798 2.348 1.00 0.00 H new ATOM 0 HB3 MET A 31 6.704 1.859 1.821 1.00 0.00 H new ATOM 0 HG2 MET A 31 6.704 0.143 -0.266 1.00 0.00 H new ATOM 0 HG3 MET A 31 7.349 -0.928 0.963 1.00 0.00 H new ATOM 0 HE1 MET A 31 3.215 0.669 0.333 1.00 0.00 H new ATOM 0 HE2 MET A 31 4.082 1.867 1.323 1.00 0.00 H new ATOM 0 HE3 MET A 31 4.752 1.354 -0.244 1.00 0.00 H new ATOM 459 N THR A 32 8.408 3.747 -1.005 1.00 0.00 N ATOM 460 CA THR A 32 7.803 4.734 -1.891 1.00 0.00 C ATOM 461 C THR A 32 7.661 4.187 -3.307 1.00 0.00 C ATOM 462 O THR A 32 6.645 4.405 -3.967 1.00 0.00 O ATOM 463 CB THR A 32 8.632 6.032 -1.935 1.00 0.00 C ATOM 464 OG1 THR A 32 9.869 5.800 -2.618 1.00 0.00 O ATOM 465 CG2 THR A 32 8.910 6.544 -0.530 1.00 0.00 C ATOM 0 H THR A 32 9.424 3.808 -0.938 1.00 0.00 H new ATOM 0 HA THR A 32 6.814 4.956 -1.489 1.00 0.00 H new ATOM 0 HB THR A 32 8.057 6.787 -2.472 1.00 0.00 H new ATOM 0 HG1 THR A 32 10.389 6.630 -2.643 1.00 0.00 H new ATOM 0 HG21 THR A 32 9.497 7.461 -0.586 1.00 0.00 H new ATOM 0 HG22 THR A 32 7.966 6.747 -0.024 1.00 0.00 H new ATOM 0 HG23 THR A 32 9.466 5.791 0.028 1.00 0.00 H new ATOM 473 N SER A 33 8.685 3.475 -3.767 1.00 0.00 N ATOM 474 CA SER A 33 8.674 2.900 -5.107 1.00 0.00 C ATOM 475 C SER A 33 8.252 1.434 -5.065 1.00 0.00 C ATOM 476 O SER A 33 8.085 0.854 -3.991 1.00 0.00 O ATOM 477 CB SER A 33 10.057 3.025 -5.750 1.00 0.00 C ATOM 478 OG SER A 33 10.533 4.358 -5.679 1.00 0.00 O ATOM 0 H SER A 33 9.532 3.283 -3.232 1.00 0.00 H new ATOM 0 HA SER A 33 7.951 3.452 -5.707 1.00 0.00 H new ATOM 0 HB2 SER A 33 10.757 2.358 -5.247 1.00 0.00 H new ATOM 0 HB3 SER A 33 10.007 2.708 -6.792 1.00 0.00 H new ATOM 0 HG SER A 33 11.419 4.412 -6.095 1.00 0.00 H new ATOM 484 N LEU A 34 8.081 0.841 -6.241 1.00 0.00 N ATOM 485 CA LEU A 34 7.678 -0.558 -6.341 1.00 0.00 C ATOM 486 C LEU A 34 8.835 -1.425 -6.827 1.00 0.00 C ATOM 487 O LEU A 34 9.370 -2.241 -6.077 1.00 0.00 O ATOM 488 CB LEU A 34 6.487 -0.699 -7.291 1.00 0.00 C ATOM 489 CG LEU A 34 5.274 0.180 -6.982 1.00 0.00 C ATOM 490 CD1 LEU A 34 4.487 0.468 -8.251 1.00 0.00 C ATOM 491 CD2 LEU A 34 4.386 -0.484 -5.940 1.00 0.00 C ATOM 0 H LEU A 34 8.215 1.306 -7.139 1.00 0.00 H new ATOM 0 HA LEU A 34 7.386 -0.898 -5.347 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.826 -0.474 -8.302 1.00 0.00 H new ATOM 0 HB3 LEU A 34 6.166 -1.741 -7.287 1.00 0.00 H new ATOM 0 HG LEU A 34 5.629 1.127 -6.577 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.628 1.095 -8.012 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.126 0.986 -8.966 1.00 0.00 H new ATOM 0 HD13 LEU A 34 4.142 -0.470 -8.686 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.528 0.155 -5.732 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.039 -1.446 -6.317 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.954 -0.638 -5.023 1.00 0.00 H new ATOM 503 N GLY A 35 9.219 -1.239 -8.086 1.00 0.00 N ATOM 504 CA GLY A 35 10.312 -2.010 -8.649 1.00 0.00 C ATOM 505 C GLY A 35 10.345 -3.434 -8.132 1.00 0.00 C ATOM 506 O GLY A 35 9.419 -4.210 -8.371 1.00 0.00 O ATOM 0 H GLY A 35 8.793 -0.569 -8.726 1.00 0.00 H new ATOM 0 HA2 GLY A 35 10.221 -2.023 -9.735 1.00 0.00 H new ATOM 0 HA3 GLY A 35 11.257 -1.520 -8.414 1.00 0.00 H new ATOM 510 N SER A 36 11.414 -3.781 -7.422 1.00 0.00 N ATOM 511 CA SER A 36 11.565 -5.123 -6.874 1.00 0.00 C ATOM 512 C SER A 36 11.906 -5.068 -5.388 1.00 0.00 C ATOM 513 O SER A 36 11.269 -5.731 -4.568 1.00 0.00 O ATOM 514 CB SER A 36 12.655 -5.886 -7.631 1.00 0.00 C ATOM 515 OG SER A 36 12.147 -6.444 -8.830 1.00 0.00 O ATOM 0 H SER A 36 12.188 -3.151 -7.213 1.00 0.00 H new ATOM 0 HA SER A 36 10.616 -5.646 -6.992 1.00 0.00 H new ATOM 0 HB2 SER A 36 13.481 -5.213 -7.861 1.00 0.00 H new ATOM 0 HB3 SER A 36 13.055 -6.678 -6.998 1.00 0.00 H new ATOM 0 HG SER A 36 12.863 -6.925 -9.296 1.00 0.00 H new ATOM 521 N VAL A 37 12.916 -4.274 -5.048 1.00 0.00 N ATOM 522 CA VAL A 37 13.341 -4.130 -3.661 1.00 0.00 C ATOM 523 C VAL A 37 12.148 -3.901 -2.740 1.00 0.00 C ATOM 524 O VAL A 37 12.072 -4.472 -1.651 1.00 0.00 O ATOM 525 CB VAL A 37 14.334 -2.964 -3.496 1.00 0.00 C ATOM 526 CG1 VAL A 37 13.702 -1.657 -3.949 1.00 0.00 C ATOM 527 CG2 VAL A 37 14.806 -2.866 -2.053 1.00 0.00 C ATOM 0 H VAL A 37 13.455 -3.721 -5.714 1.00 0.00 H new ATOM 0 HA VAL A 37 13.836 -5.061 -3.384 1.00 0.00 H new ATOM 0 HB VAL A 37 15.203 -3.157 -4.125 1.00 0.00 H new ATOM 0 HG11 VAL A 37 14.418 -0.845 -3.825 1.00 0.00 H new ATOM 0 HG12 VAL A 37 13.419 -1.734 -4.999 1.00 0.00 H new ATOM 0 HG13 VAL A 37 12.815 -1.454 -3.348 1.00 0.00 H new ATOM 0 HG21 VAL A 37 15.507 -2.037 -1.955 1.00 0.00 H new ATOM 0 HG22 VAL A 37 13.949 -2.696 -1.401 1.00 0.00 H new ATOM 0 HG23 VAL A 37 15.300 -3.795 -1.768 1.00 0.00 H new ATOM 537 N CYS A 38 11.218 -3.063 -3.184 1.00 0.00 N ATOM 538 CA CYS A 38 10.027 -2.758 -2.400 1.00 0.00 C ATOM 539 C CYS A 38 9.015 -3.897 -2.481 1.00 0.00 C ATOM 540 O CYS A 38 8.371 -4.240 -1.490 1.00 0.00 O ATOM 541 CB CYS A 38 9.388 -1.457 -2.889 1.00 0.00 C ATOM 542 SG CYS A 38 10.494 -0.027 -2.838 1.00 0.00 S ATOM 0 H CYS A 38 11.266 -2.583 -4.083 1.00 0.00 H new ATOM 0 HA CYS A 38 10.329 -2.638 -1.360 1.00 0.00 H new ATOM 0 HB2 CYS A 38 9.040 -1.598 -3.912 1.00 0.00 H new ATOM 0 HB3 CYS A 38 8.509 -1.245 -2.280 1.00 0.00 H new ATOM 0 HG CYS A 38 9.808 1.059 -3.036 1.00 0.00 H new ATOM 548 N ARG A 39 8.880 -4.477 -3.669 1.00 0.00 N ATOM 549 CA ARG A 39 7.945 -5.576 -3.881 1.00 0.00 C ATOM 550 C ARG A 39 7.916 -6.506 -2.671 1.00 0.00 C ATOM 551 O ARG A 39 6.850 -6.933 -2.231 1.00 0.00 O ATOM 552 CB ARG A 39 8.327 -6.364 -5.135 1.00 0.00 C ATOM 553 CG ARG A 39 7.226 -7.286 -5.633 1.00 0.00 C ATOM 554 CD ARG A 39 7.297 -7.474 -7.141 1.00 0.00 C ATOM 555 NE ARG A 39 8.176 -8.578 -7.514 1.00 0.00 N ATOM 556 CZ ARG A 39 7.829 -9.857 -7.421 1.00 0.00 C ATOM 557 NH1 ARG A 39 6.628 -10.191 -6.971 1.00 0.00 N ATOM 558 NH2 ARG A 39 8.685 -10.805 -7.781 1.00 0.00 N ATOM 0 H ARG A 39 9.406 -4.204 -4.499 1.00 0.00 H new ATOM 0 HA ARG A 39 6.950 -5.153 -4.016 1.00 0.00 H new ATOM 0 HB2 ARG A 39 8.589 -5.664 -5.928 1.00 0.00 H new ATOM 0 HB3 ARG A 39 9.218 -6.956 -4.925 1.00 0.00 H new ATOM 0 HG2 ARG A 39 7.310 -8.255 -5.140 1.00 0.00 H new ATOM 0 HG3 ARG A 39 6.254 -6.874 -5.362 1.00 0.00 H new ATOM 0 HD2 ARG A 39 6.296 -7.660 -7.531 1.00 0.00 H new ATOM 0 HD3 ARG A 39 7.654 -6.554 -7.605 1.00 0.00 H new ATOM 0 HE ARG A 39 9.107 -8.355 -7.865 1.00 0.00 H new ATOM 0 HH11 ARG A 39 5.967 -9.465 -6.695 1.00 0.00 H new ATOM 0 HH12 ARG A 39 6.365 -11.174 -6.901 1.00 0.00 H new ATOM 0 HH21 ARG A 39 9.610 -10.552 -8.129 1.00 0.00 H new ATOM 0 HH22 ARG A 39 8.418 -11.787 -7.709 1.00 0.00 H new ATOM 572 N GLU A 40 9.095 -6.815 -2.140 1.00 0.00 N ATOM 573 CA GLU A 40 9.204 -7.695 -0.983 1.00 0.00 C ATOM 574 C GLU A 40 8.362 -7.174 0.178 1.00 0.00 C ATOM 575 O GLU A 40 7.554 -7.905 0.751 1.00 0.00 O ATOM 576 CB GLU A 40 10.665 -7.826 -0.549 1.00 0.00 C ATOM 577 CG GLU A 40 11.471 -8.789 -1.405 1.00 0.00 C ATOM 578 CD GLU A 40 12.964 -8.670 -1.170 1.00 0.00 C ATOM 579 OE1 GLU A 40 13.435 -7.542 -0.914 1.00 0.00 O ATOM 580 OE2 GLU A 40 13.661 -9.704 -1.242 1.00 0.00 O ATOM 0 H GLU A 40 9.987 -6.469 -2.493 1.00 0.00 H new ATOM 0 HA GLU A 40 8.829 -8.677 -1.270 1.00 0.00 H new ATOM 0 HB2 GLU A 40 11.135 -6.843 -0.583 1.00 0.00 H new ATOM 0 HB3 GLU A 40 10.699 -8.160 0.488 1.00 0.00 H new ATOM 0 HG2 GLU A 40 11.154 -9.810 -1.193 1.00 0.00 H new ATOM 0 HG3 GLU A 40 11.257 -8.601 -2.457 1.00 0.00 H new ATOM 587 N LYS A 41 8.558 -5.905 0.520 1.00 0.00 N ATOM 588 CA LYS A 41 7.818 -5.284 1.612 1.00 0.00 C ATOM 589 C LYS A 41 6.314 -5.392 1.381 1.00 0.00 C ATOM 590 O LYS A 41 5.567 -5.796 2.273 1.00 0.00 O ATOM 591 CB LYS A 41 8.217 -3.813 1.754 1.00 0.00 C ATOM 592 CG LYS A 41 9.706 -3.606 1.972 1.00 0.00 C ATOM 593 CD LYS A 41 10.115 -3.951 3.394 1.00 0.00 C ATOM 594 CE LYS A 41 11.613 -3.781 3.600 1.00 0.00 C ATOM 595 NZ LYS A 41 12.360 -5.032 3.294 1.00 0.00 N ATOM 0 H LYS A 41 9.223 -5.286 0.056 1.00 0.00 H new ATOM 0 HA LYS A 41 8.066 -5.813 2.532 1.00 0.00 H new ATOM 0 HB2 LYS A 41 7.911 -3.274 0.857 1.00 0.00 H new ATOM 0 HB3 LYS A 41 7.671 -3.376 2.590 1.00 0.00 H new ATOM 0 HG2 LYS A 41 10.267 -4.224 1.271 1.00 0.00 H new ATOM 0 HG3 LYS A 41 9.965 -2.569 1.760 1.00 0.00 H new ATOM 0 HD2 LYS A 41 9.576 -3.313 4.094 1.00 0.00 H new ATOM 0 HD3 LYS A 41 9.830 -4.979 3.616 1.00 0.00 H new ATOM 0 HE2 LYS A 41 11.978 -2.975 2.963 1.00 0.00 H new ATOM 0 HE3 LYS A 41 11.807 -3.485 4.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 13.377 -4.875 3.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 12.030 -5.795 3.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 12.196 -5.301 2.303 1.00 0.00 H new ATOM 609 N ILE A 42 5.877 -5.032 0.179 1.00 0.00 N ATOM 610 CA ILE A 42 4.463 -5.092 -0.169 1.00 0.00 C ATOM 611 C ILE A 42 3.876 -6.462 0.151 1.00 0.00 C ATOM 612 O ILE A 42 2.760 -6.567 0.659 1.00 0.00 O ATOM 613 CB ILE A 42 4.236 -4.784 -1.661 1.00 0.00 C ATOM 614 CG1 ILE A 42 4.752 -3.383 -1.999 1.00 0.00 C ATOM 615 CG2 ILE A 42 2.761 -4.909 -2.009 1.00 0.00 C ATOM 616 CD1 ILE A 42 5.236 -3.246 -3.425 1.00 0.00 C ATOM 0 H ILE A 42 6.482 -4.696 -0.570 1.00 0.00 H new ATOM 0 HA ILE A 42 3.958 -4.334 0.430 1.00 0.00 H new ATOM 0 HB ILE A 42 4.792 -5.509 -2.255 1.00 0.00 H new ATOM 0 HG12 ILE A 42 3.956 -2.659 -1.823 1.00 0.00 H new ATOM 0 HG13 ILE A 42 5.568 -3.132 -1.321 1.00 0.00 H new ATOM 0 HG21 ILE A 42 2.617 -4.688 -3.067 1.00 0.00 H new ATOM 0 HG22 ILE A 42 2.423 -5.924 -1.801 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.185 -4.204 -1.409 1.00 0.00 H new ATOM 0 HD11 ILE A 42 5.587 -2.228 -3.594 1.00 0.00 H new ATOM 0 HD12 ILE A 42 6.053 -3.945 -3.601 1.00 0.00 H new ATOM 0 HD13 ILE A 42 4.417 -3.466 -4.110 1.00 0.00 H new ATOM 628 N GLU A 43 4.637 -7.510 -0.149 1.00 0.00 N ATOM 629 CA GLU A 43 4.191 -8.875 0.107 1.00 0.00 C ATOM 630 C GLU A 43 3.810 -9.056 1.573 1.00 0.00 C ATOM 631 O GLU A 43 3.045 -9.956 1.920 1.00 0.00 O ATOM 632 CB GLU A 43 5.288 -9.873 -0.273 1.00 0.00 C ATOM 633 CG GLU A 43 5.608 -9.889 -1.758 1.00 0.00 C ATOM 634 CD GLU A 43 4.756 -10.879 -2.528 1.00 0.00 C ATOM 635 OE1 GLU A 43 3.645 -11.199 -2.056 1.00 0.00 O ATOM 636 OE2 GLU A 43 5.200 -11.334 -3.603 1.00 0.00 O ATOM 0 H GLU A 43 5.564 -7.440 -0.569 1.00 0.00 H new ATOM 0 HA GLU A 43 3.310 -9.064 -0.506 1.00 0.00 H new ATOM 0 HB2 GLU A 43 6.194 -9.633 0.283 1.00 0.00 H new ATOM 0 HB3 GLU A 43 4.981 -10.872 0.035 1.00 0.00 H new ATOM 0 HG2 GLU A 43 5.459 -8.890 -2.169 1.00 0.00 H new ATOM 0 HG3 GLU A 43 6.660 -10.136 -1.896 1.00 0.00 H new ATOM 643 N ALA A 44 4.349 -8.195 2.430 1.00 0.00 N ATOM 644 CA ALA A 44 4.064 -8.259 3.858 1.00 0.00 C ATOM 645 C ALA A 44 2.805 -7.470 4.202 1.00 0.00 C ATOM 646 O ALA A 44 1.826 -8.030 4.696 1.00 0.00 O ATOM 647 CB ALA A 44 5.250 -7.738 4.656 1.00 0.00 C ATOM 0 H ALA A 44 4.985 -7.445 2.160 1.00 0.00 H new ATOM 0 HA ALA A 44 3.891 -9.302 4.123 1.00 0.00 H new ATOM 0 HB1 ALA A 44 5.024 -7.791 5.721 1.00 0.00 H new ATOM 0 HB2 ALA A 44 6.129 -8.346 4.441 1.00 0.00 H new ATOM 0 HB3 ALA A 44 5.449 -6.703 4.379 1.00 0.00 H new ATOM 653 N VAL A 45 2.838 -6.168 3.940 1.00 0.00 N ATOM 654 CA VAL A 45 1.699 -5.302 4.221 1.00 0.00 C ATOM 655 C VAL A 45 0.419 -5.861 3.609 1.00 0.00 C ATOM 656 O VAL A 45 -0.683 -5.567 4.073 1.00 0.00 O ATOM 657 CB VAL A 45 1.931 -3.877 3.686 1.00 0.00 C ATOM 658 CG1 VAL A 45 1.925 -3.869 2.165 1.00 0.00 C ATOM 659 CG2 VAL A 45 0.880 -2.924 4.236 1.00 0.00 C ATOM 0 H VAL A 45 3.641 -5.689 3.533 1.00 0.00 H new ATOM 0 HA VAL A 45 1.593 -5.262 5.305 1.00 0.00 H new ATOM 0 HB VAL A 45 2.910 -3.537 4.023 1.00 0.00 H new ATOM 0 HG11 VAL A 45 2.090 -2.853 1.806 1.00 0.00 H new ATOM 0 HG12 VAL A 45 2.718 -4.519 1.795 1.00 0.00 H new ATOM 0 HG13 VAL A 45 0.962 -4.229 1.803 1.00 0.00 H new ATOM 0 HG21 VAL A 45 1.059 -1.921 3.848 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -0.111 -3.260 3.931 1.00 0.00 H new ATOM 0 HG23 VAL A 45 0.938 -2.907 5.324 1.00 0.00 H new ATOM 669 N ALA A 46 0.573 -6.668 2.565 1.00 0.00 N ATOM 670 CA ALA A 46 -0.570 -7.271 1.890 1.00 0.00 C ATOM 671 C ALA A 46 -1.099 -8.469 2.671 1.00 0.00 C ATOM 672 O ALA A 46 -2.309 -8.636 2.828 1.00 0.00 O ATOM 673 CB ALA A 46 -0.190 -7.685 0.476 1.00 0.00 C ATOM 0 H ALA A 46 1.478 -6.920 2.168 1.00 0.00 H new ATOM 0 HA ALA A 46 -1.364 -6.526 1.837 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.053 -8.134 -0.016 1.00 0.00 H new ATOM 0 HB2 ALA A 46 0.133 -6.808 -0.086 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.623 -8.410 0.515 1.00 0.00 H new ATOM 679 N THR A 47 -0.185 -9.303 3.158 1.00 0.00 N ATOM 680 CA THR A 47 -0.560 -10.487 3.920 1.00 0.00 C ATOM 681 C THR A 47 -1.014 -10.114 5.327 1.00 0.00 C ATOM 682 O THR A 47 -1.740 -10.869 5.974 1.00 0.00 O ATOM 683 CB THR A 47 0.609 -11.485 4.018 1.00 0.00 C ATOM 684 OG1 THR A 47 0.125 -12.769 4.427 1.00 0.00 O ATOM 685 CG2 THR A 47 1.657 -10.995 5.006 1.00 0.00 C ATOM 0 H THR A 47 0.820 -9.180 3.038 1.00 0.00 H new ATOM 0 HA THR A 47 -1.386 -10.958 3.387 1.00 0.00 H new ATOM 0 HB THR A 47 1.070 -11.568 3.034 1.00 0.00 H new ATOM 0 HG1 THR A 47 0.874 -13.398 4.485 1.00 0.00 H new ATOM 0 HG21 THR A 47 2.473 -11.716 5.058 1.00 0.00 H new ATOM 0 HG22 THR A 47 2.045 -10.031 4.677 1.00 0.00 H new ATOM 0 HG23 THR A 47 1.205 -10.886 5.992 1.00 0.00 H new ATOM 693 N GLU A 48 -0.584 -8.946 5.793 1.00 0.00 N ATOM 694 CA GLU A 48 -0.948 -8.475 7.124 1.00 0.00 C ATOM 695 C GLU A 48 -2.343 -7.857 7.119 1.00 0.00 C ATOM 696 O GLU A 48 -3.108 -8.017 8.071 1.00 0.00 O ATOM 697 CB GLU A 48 0.074 -7.451 7.623 1.00 0.00 C ATOM 698 CG GLU A 48 -0.421 -6.619 8.794 1.00 0.00 C ATOM 699 CD GLU A 48 -1.003 -7.467 9.908 1.00 0.00 C ATOM 700 OE1 GLU A 48 -0.641 -8.659 9.997 1.00 0.00 O ATOM 701 OE2 GLU A 48 -1.821 -6.940 10.691 1.00 0.00 O ATOM 0 H GLU A 48 0.016 -8.309 5.269 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.952 -9.332 7.797 1.00 0.00 H new ATOM 0 HB2 GLU A 48 0.984 -7.973 7.918 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.340 -6.785 6.802 1.00 0.00 H new ATOM 0 HG2 GLU A 48 0.404 -6.026 9.188 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -1.178 -5.918 8.442 1.00 0.00 H new ATOM 708 N LEU A 49 -2.667 -7.150 6.042 1.00 0.00 N ATOM 709 CA LEU A 49 -3.970 -6.507 5.913 1.00 0.00 C ATOM 710 C LEU A 49 -4.968 -7.433 5.226 1.00 0.00 C ATOM 711 O LEU A 49 -6.148 -7.107 5.102 1.00 0.00 O ATOM 712 CB LEU A 49 -3.840 -5.202 5.124 1.00 0.00 C ATOM 713 CG LEU A 49 -3.142 -4.049 5.845 1.00 0.00 C ATOM 714 CD1 LEU A 49 -2.942 -2.873 4.902 1.00 0.00 C ATOM 715 CD2 LEU A 49 -3.941 -3.623 7.069 1.00 0.00 C ATOM 0 H LEU A 49 -2.046 -7.007 5.246 1.00 0.00 H new ATOM 0 HA LEU A 49 -4.339 -6.284 6.914 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -3.296 -5.410 4.203 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -4.839 -4.873 4.837 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.163 -4.393 6.177 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -2.444 -2.062 5.433 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -2.328 -3.185 4.057 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -3.911 -2.528 4.540 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -3.429 -2.801 7.570 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.934 -3.297 6.760 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -4.033 -4.465 7.755 1.00 0.00 H new ATOM 727 N ASN A 50 -4.487 -8.590 4.783 1.00 0.00 N ATOM 728 CA ASN A 50 -5.338 -9.564 4.110 1.00 0.00 C ATOM 729 C ASN A 50 -5.941 -8.974 2.839 1.00 0.00 C ATOM 730 O ASN A 50 -7.132 -9.135 2.571 1.00 0.00 O ATOM 731 CB ASN A 50 -6.453 -10.032 5.048 1.00 0.00 C ATOM 732 CG ASN A 50 -5.960 -11.026 6.082 1.00 0.00 C ATOM 733 OD1 ASN A 50 -5.635 -10.655 7.210 1.00 0.00 O ATOM 734 ND2 ASN A 50 -5.902 -12.296 5.700 1.00 0.00 N ATOM 0 H ASN A 50 -3.512 -8.876 4.878 1.00 0.00 H new ATOM 0 HA ASN A 50 -4.721 -10.419 3.834 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -6.884 -9.169 5.555 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -7.250 -10.488 4.461 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -5.578 -13.010 6.352 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -6.182 -12.557 4.755 1.00 0.00 H new ATOM 741 N VAL A 51 -5.111 -8.289 2.059 1.00 0.00 N ATOM 742 CA VAL A 51 -5.561 -7.676 0.816 1.00 0.00 C ATOM 743 C VAL A 51 -4.612 -8.001 -0.332 1.00 0.00 C ATOM 744 O VAL A 51 -3.400 -8.106 -0.139 1.00 0.00 O ATOM 745 CB VAL A 51 -5.677 -6.146 0.954 1.00 0.00 C ATOM 746 CG1 VAL A 51 -6.698 -5.782 2.021 1.00 0.00 C ATOM 747 CG2 VAL A 51 -4.320 -5.536 1.272 1.00 0.00 C ATOM 0 H VAL A 51 -4.123 -8.145 2.267 1.00 0.00 H new ATOM 0 HA VAL A 51 -6.546 -8.089 0.598 1.00 0.00 H new ATOM 0 HB VAL A 51 -6.020 -5.737 0.003 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -6.766 -4.697 2.104 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -7.672 -6.187 1.746 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -6.389 -6.201 2.979 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -4.420 -4.455 1.366 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -3.946 -5.949 2.209 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.620 -5.767 0.469 1.00 0.00 H new ATOM 757 N ASP A 52 -5.170 -8.157 -1.528 1.00 0.00 N ATOM 758 CA ASP A 52 -4.373 -8.469 -2.708 1.00 0.00 C ATOM 759 C ASP A 52 -3.240 -7.462 -2.881 1.00 0.00 C ATOM 760 O ASP A 52 -3.451 -6.252 -2.782 1.00 0.00 O ATOM 761 CB ASP A 52 -5.255 -8.480 -3.957 1.00 0.00 C ATOM 762 CG ASP A 52 -6.160 -9.696 -4.016 1.00 0.00 C ATOM 763 OD1 ASP A 52 -5.642 -10.827 -3.901 1.00 0.00 O ATOM 764 OD2 ASP A 52 -7.385 -9.516 -4.176 1.00 0.00 O ATOM 0 H ASP A 52 -6.171 -8.072 -1.705 1.00 0.00 H new ATOM 0 HA ASP A 52 -3.938 -9.459 -2.570 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -5.864 -7.576 -3.976 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -4.623 -8.458 -4.845 1.00 0.00 H new ATOM 769 N CYS A 53 -2.039 -7.968 -3.137 1.00 0.00 N ATOM 770 CA CYS A 53 -0.871 -7.113 -3.321 1.00 0.00 C ATOM 771 C CYS A 53 -1.237 -5.856 -4.103 1.00 0.00 C ATOM 772 O CYS A 53 -0.886 -4.744 -3.708 1.00 0.00 O ATOM 773 CB CYS A 53 0.237 -7.877 -4.047 1.00 0.00 C ATOM 774 SG CYS A 53 0.708 -9.430 -3.250 1.00 0.00 S ATOM 0 H CYS A 53 -1.848 -8.966 -3.222 1.00 0.00 H new ATOM 0 HA CYS A 53 -0.510 -6.814 -2.337 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -0.089 -8.088 -5.065 1.00 0.00 H new ATOM 0 HB3 CYS A 53 1.117 -7.237 -4.120 1.00 0.00 H new ATOM 0 HG CYS A 53 1.650 -10.003 -3.939 1.00 0.00 H new ATOM 780 N GLU A 54 -1.941 -6.041 -5.215 1.00 0.00 N ATOM 781 CA GLU A 54 -2.351 -4.920 -6.054 1.00 0.00 C ATOM 782 C GLU A 54 -2.872 -3.766 -5.203 1.00 0.00 C ATOM 783 O GLU A 54 -2.546 -2.604 -5.449 1.00 0.00 O ATOM 784 CB GLU A 54 -3.429 -5.364 -7.045 1.00 0.00 C ATOM 785 CG GLU A 54 -3.955 -4.237 -7.918 1.00 0.00 C ATOM 786 CD GLU A 54 -4.864 -4.732 -9.025 1.00 0.00 C ATOM 787 OE1 GLU A 54 -6.083 -4.854 -8.781 1.00 0.00 O ATOM 788 OE2 GLU A 54 -4.358 -4.998 -10.135 1.00 0.00 O ATOM 0 H GLU A 54 -2.239 -6.955 -5.556 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.478 -4.575 -6.608 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -3.022 -6.148 -7.684 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -4.260 -5.802 -6.493 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -4.499 -3.525 -7.297 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -3.114 -3.700 -8.357 1.00 0.00 H new ATOM 795 N ILE A 55 -3.683 -4.094 -4.203 1.00 0.00 N ATOM 796 CA ILE A 55 -4.249 -3.086 -3.316 1.00 0.00 C ATOM 797 C ILE A 55 -3.167 -2.149 -2.788 1.00 0.00 C ATOM 798 O ILE A 55 -3.365 -0.937 -2.708 1.00 0.00 O ATOM 799 CB ILE A 55 -4.980 -3.731 -2.124 1.00 0.00 C ATOM 800 CG1 ILE A 55 -6.059 -4.696 -2.621 1.00 0.00 C ATOM 801 CG2 ILE A 55 -5.591 -2.659 -1.234 1.00 0.00 C ATOM 802 CD1 ILE A 55 -7.015 -4.074 -3.615 1.00 0.00 C ATOM 0 H ILE A 55 -3.963 -5.051 -3.987 1.00 0.00 H new ATOM 0 HA ILE A 55 -4.966 -2.514 -3.905 1.00 0.00 H new ATOM 0 HB ILE A 55 -4.257 -4.295 -1.536 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -5.579 -5.559 -3.082 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -6.626 -5.066 -1.767 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -6.104 -3.131 -0.396 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -4.803 -2.007 -0.857 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -6.304 -2.070 -1.811 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -7.752 -4.815 -3.924 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -7.523 -3.229 -3.151 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -6.460 -3.729 -4.487 1.00 0.00 H new ATOM 814 N VAL A 56 -2.021 -2.720 -2.429 1.00 0.00 N ATOM 815 CA VAL A 56 -0.906 -1.937 -1.911 1.00 0.00 C ATOM 816 C VAL A 56 -0.082 -1.337 -3.045 1.00 0.00 C ATOM 817 O VAL A 56 -0.066 -0.121 -3.239 1.00 0.00 O ATOM 818 CB VAL A 56 0.014 -2.791 -1.020 1.00 0.00 C ATOM 819 CG1 VAL A 56 1.242 -1.996 -0.602 1.00 0.00 C ATOM 820 CG2 VAL A 56 -0.744 -3.296 0.199 1.00 0.00 C ATOM 0 H VAL A 56 -1.841 -3.722 -2.488 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.335 -1.133 -1.312 1.00 0.00 H new ATOM 0 HB VAL A 56 0.348 -3.654 -1.596 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.880 -2.616 0.027 1.00 0.00 H new ATOM 0 HG12 VAL A 56 1.796 -1.689 -1.489 1.00 0.00 H new ATOM 0 HG13 VAL A 56 0.931 -1.113 -0.044 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.078 -3.898 0.818 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -1.109 -2.448 0.778 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -1.588 -3.905 -0.124 1.00 0.00 H new ATOM 830 N ARG A 57 0.600 -2.198 -3.793 1.00 0.00 N ATOM 831 CA ARG A 57 1.428 -1.753 -4.908 1.00 0.00 C ATOM 832 C ARG A 57 0.754 -0.610 -5.662 1.00 0.00 C ATOM 833 O ARG A 57 1.406 0.356 -6.059 1.00 0.00 O ATOM 834 CB ARG A 57 1.703 -2.916 -5.862 1.00 0.00 C ATOM 835 CG ARG A 57 2.871 -3.790 -5.436 1.00 0.00 C ATOM 836 CD ARG A 57 2.905 -5.094 -6.218 1.00 0.00 C ATOM 837 NE ARG A 57 2.972 -4.867 -7.659 1.00 0.00 N ATOM 838 CZ ARG A 57 4.050 -4.403 -8.281 1.00 0.00 C ATOM 839 NH1 ARG A 57 5.147 -4.121 -7.592 1.00 0.00 N ATOM 840 NH2 ARG A 57 4.033 -4.223 -9.596 1.00 0.00 N ATOM 0 H ARG A 57 0.596 -3.208 -3.647 1.00 0.00 H new ATOM 0 HA ARG A 57 2.374 -1.392 -4.505 1.00 0.00 H new ATOM 0 HB2 ARG A 57 0.807 -3.533 -5.937 1.00 0.00 H new ATOM 0 HB3 ARG A 57 1.901 -2.519 -6.858 1.00 0.00 H new ATOM 0 HG2 ARG A 57 3.805 -3.249 -5.587 1.00 0.00 H new ATOM 0 HG3 ARG A 57 2.796 -4.005 -4.370 1.00 0.00 H new ATOM 0 HD2 ARG A 57 3.767 -5.683 -5.903 1.00 0.00 H new ATOM 0 HD3 ARG A 57 2.016 -5.680 -5.984 1.00 0.00 H new ATOM 0 HE ARG A 57 2.145 -5.076 -8.219 1.00 0.00 H new ATOM 0 HH11 ARG A 57 5.165 -4.260 -6.582 1.00 0.00 H new ATOM 0 HH12 ARG A 57 5.973 -3.765 -8.072 1.00 0.00 H new ATOM 0 HH21 ARG A 57 3.192 -4.441 -10.130 1.00 0.00 H new ATOM 0 HH22 ARG A 57 4.861 -3.867 -10.073 1.00 0.00 H new ATOM 854 N THR A 58 -0.556 -0.728 -5.858 1.00 0.00 N ATOM 855 CA THR A 58 -1.317 0.293 -6.566 1.00 0.00 C ATOM 856 C THR A 58 -1.460 1.556 -5.724 1.00 0.00 C ATOM 857 O THR A 58 -1.405 2.670 -6.244 1.00 0.00 O ATOM 858 CB THR A 58 -2.720 -0.216 -6.948 1.00 0.00 C ATOM 859 OG1 THR A 58 -2.609 -1.365 -7.797 1.00 0.00 O ATOM 860 CG2 THR A 58 -3.515 0.870 -7.657 1.00 0.00 C ATOM 0 H THR A 58 -1.111 -1.521 -5.536 1.00 0.00 H new ATOM 0 HA THR A 58 -0.762 0.526 -7.475 1.00 0.00 H new ATOM 0 HB THR A 58 -3.245 -0.490 -6.033 1.00 0.00 H new ATOM 0 HG1 THR A 58 -2.405 -2.155 -7.254 1.00 0.00 H new ATOM 0 HG21 THR A 58 -4.502 0.487 -7.917 1.00 0.00 H new ATOM 0 HG22 THR A 58 -3.622 1.732 -6.998 1.00 0.00 H new ATOM 0 HG23 THR A 58 -2.992 1.170 -8.565 1.00 0.00 H new ATOM 868 N TRP A 59 -1.643 1.374 -4.421 1.00 0.00 N ATOM 869 CA TRP A 59 -1.793 2.500 -3.506 1.00 0.00 C ATOM 870 C TRP A 59 -0.531 3.356 -3.485 1.00 0.00 C ATOM 871 O TRP A 59 -0.604 4.585 -3.516 1.00 0.00 O ATOM 872 CB TRP A 59 -2.108 1.999 -2.095 1.00 0.00 C ATOM 873 CG TRP A 59 -1.926 3.047 -1.039 1.00 0.00 C ATOM 874 CD1 TRP A 59 -2.862 3.938 -0.598 1.00 0.00 C ATOM 875 CD2 TRP A 59 -0.733 3.313 -0.292 1.00 0.00 C ATOM 876 NE1 TRP A 59 -2.324 4.742 0.377 1.00 0.00 N ATOM 877 CE2 TRP A 59 -1.020 4.378 0.584 1.00 0.00 C ATOM 878 CE3 TRP A 59 0.547 2.753 -0.277 1.00 0.00 C ATOM 879 CZ2 TRP A 59 -0.071 4.893 1.463 1.00 0.00 C ATOM 880 CZ3 TRP A 59 1.487 3.266 0.596 1.00 0.00 C ATOM 881 CH2 TRP A 59 1.175 4.326 1.457 1.00 0.00 C ATOM 0 H TRP A 59 -1.691 0.458 -3.975 1.00 0.00 H new ATOM 0 HA TRP A 59 -2.621 3.115 -3.859 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -3.136 1.639 -2.066 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -1.466 1.148 -1.867 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -3.877 4.001 -0.962 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -2.816 5.489 0.867 1.00 0.00 H new ATOM 0 HE3 TRP A 59 0.797 1.934 -0.936 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -0.310 5.711 2.126 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 2.480 2.842 0.615 1.00 0.00 H new ATOM 0 HH2 TRP A 59 1.932 4.703 2.129 1.00 0.00 H new ATOM 892 N ILE A 60 0.623 2.700 -3.433 1.00 0.00 N ATOM 893 CA ILE A 60 1.900 3.403 -3.409 1.00 0.00 C ATOM 894 C ILE A 60 2.000 4.400 -4.558 1.00 0.00 C ATOM 895 O ILE A 60 2.160 5.600 -4.340 1.00 0.00 O ATOM 896 CB ILE A 60 3.084 2.421 -3.492 1.00 0.00 C ATOM 897 CG1 ILE A 60 3.037 1.431 -2.326 1.00 0.00 C ATOM 898 CG2 ILE A 60 4.402 3.181 -3.496 1.00 0.00 C ATOM 899 CD1 ILE A 60 4.045 0.310 -2.445 1.00 0.00 C ATOM 0 H ILE A 60 0.700 1.683 -3.407 1.00 0.00 H new ATOM 0 HA ILE A 60 1.948 3.939 -2.461 1.00 0.00 H new ATOM 0 HB ILE A 60 3.007 1.860 -4.423 1.00 0.00 H new ATOM 0 HG12 ILE A 60 3.213 1.970 -1.395 1.00 0.00 H new ATOM 0 HG13 ILE A 60 2.036 1.004 -2.263 1.00 0.00 H new ATOM 0 HG21 ILE A 60 5.230 2.474 -3.555 1.00 0.00 H new ATOM 0 HG22 ILE A 60 4.434 3.850 -4.356 1.00 0.00 H new ATOM 0 HG23 ILE A 60 4.488 3.765 -2.580 1.00 0.00 H new ATOM 0 HD11 ILE A 60 3.955 -0.353 -1.585 1.00 0.00 H new ATOM 0 HD12 ILE A 60 3.856 -0.254 -3.359 1.00 0.00 H new ATOM 0 HD13 ILE A 60 5.051 0.728 -2.478 1.00 0.00 H new ATOM 911 N GLY A 61 1.902 3.895 -5.784 1.00 0.00 N ATOM 912 CA GLY A 61 1.982 4.756 -6.950 1.00 0.00 C ATOM 913 C GLY A 61 1.011 5.917 -6.880 1.00 0.00 C ATOM 914 O GLY A 61 1.361 7.049 -7.212 1.00 0.00 O ATOM 0 H GLY A 61 1.769 2.905 -5.991 1.00 0.00 H new ATOM 0 HA2 GLY A 61 2.997 5.141 -7.045 1.00 0.00 H new ATOM 0 HA3 GLY A 61 1.778 4.169 -7.846 1.00 0.00 H new ATOM 918 N ASN A 62 -0.215 5.636 -6.449 1.00 0.00 N ATOM 919 CA ASN A 62 -1.241 6.667 -6.340 1.00 0.00 C ATOM 920 C ASN A 62 -0.803 7.772 -5.384 1.00 0.00 C ATOM 921 O ASN A 62 -0.921 8.958 -5.693 1.00 0.00 O ATOM 922 CB ASN A 62 -2.559 6.055 -5.860 1.00 0.00 C ATOM 923 CG ASN A 62 -3.390 5.503 -7.002 1.00 0.00 C ATOM 924 OD1 ASN A 62 -2.932 5.439 -8.144 1.00 0.00 O ATOM 925 ND2 ASN A 62 -4.619 5.101 -6.700 1.00 0.00 N ATOM 0 H ASN A 62 -0.522 4.704 -6.170 1.00 0.00 H new ATOM 0 HA ASN A 62 -1.389 7.103 -7.328 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -2.348 5.256 -5.149 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -3.135 6.812 -5.328 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -5.224 4.721 -7.428 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -4.958 5.172 -5.740 1.00 0.00 H new ATOM 932 N ARG A 63 -0.297 7.374 -4.221 1.00 0.00 N ATOM 933 CA ARG A 63 0.159 8.330 -3.219 1.00 0.00 C ATOM 934 C ARG A 63 1.180 9.296 -3.813 1.00 0.00 C ATOM 935 O ARG A 63 1.029 10.514 -3.714 1.00 0.00 O ATOM 936 CB ARG A 63 0.770 7.597 -2.024 1.00 0.00 C ATOM 937 CG ARG A 63 0.963 8.479 -0.801 1.00 0.00 C ATOM 938 CD ARG A 63 1.634 7.720 0.333 1.00 0.00 C ATOM 939 NE ARG A 63 1.718 8.520 1.552 1.00 0.00 N ATOM 940 CZ ARG A 63 0.663 8.846 2.291 1.00 0.00 C ATOM 941 NH1 ARG A 63 -0.549 8.443 1.937 1.00 0.00 N ATOM 942 NH2 ARG A 63 0.820 9.577 3.387 1.00 0.00 N ATOM 0 H ARG A 63 -0.193 6.396 -3.950 1.00 0.00 H new ATOM 0 HA ARG A 63 -0.705 8.903 -2.882 1.00 0.00 H new ATOM 0 HB2 ARG A 63 0.129 6.757 -1.758 1.00 0.00 H new ATOM 0 HB3 ARG A 63 1.734 7.182 -2.318 1.00 0.00 H new ATOM 0 HG2 ARG A 63 1.568 9.346 -1.068 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -0.004 8.855 -0.466 1.00 0.00 H new ATOM 0 HD2 ARG A 63 1.077 6.806 0.537 1.00 0.00 H new ATOM 0 HD3 ARG A 63 2.636 7.421 0.026 1.00 0.00 H new ATOM 0 HE ARG A 63 2.637 8.846 1.852 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -0.674 7.881 1.095 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -1.357 8.695 2.507 1.00 0.00 H new ATOM 0 HH21 ARG A 63 1.751 9.889 3.663 1.00 0.00 H new ATOM 0 HH22 ARG A 63 0.010 9.827 3.954 1.00 0.00 H new ATOM 956 N ARG A 64 2.219 8.743 -4.431 1.00 0.00 N ATOM 957 CA ARG A 64 3.266 9.555 -5.040 1.00 0.00 C ATOM 958 C ARG A 64 2.664 10.680 -5.877 1.00 0.00 C ATOM 959 O ARG A 64 3.051 11.841 -5.744 1.00 0.00 O ATOM 960 CB ARG A 64 4.174 8.685 -5.911 1.00 0.00 C ATOM 961 CG ARG A 64 5.167 7.853 -5.116 1.00 0.00 C ATOM 962 CD ARG A 64 5.668 6.664 -5.921 1.00 0.00 C ATOM 963 NE ARG A 64 6.311 7.078 -7.165 1.00 0.00 N ATOM 964 CZ ARG A 64 6.821 6.225 -8.047 1.00 0.00 C ATOM 965 NH1 ARG A 64 6.763 4.920 -7.823 1.00 0.00 N ATOM 966 NH2 ARG A 64 7.390 6.679 -9.157 1.00 0.00 N ATOM 0 H ARG A 64 2.358 7.737 -4.523 1.00 0.00 H new ATOM 0 HA ARG A 64 3.859 9.999 -4.240 1.00 0.00 H new ATOM 0 HB2 ARG A 64 3.556 8.019 -6.514 1.00 0.00 H new ATOM 0 HB3 ARG A 64 4.721 9.325 -6.603 1.00 0.00 H new ATOM 0 HG2 ARG A 64 6.011 8.476 -4.821 1.00 0.00 H new ATOM 0 HG3 ARG A 64 4.696 7.500 -4.199 1.00 0.00 H new ATOM 0 HD2 ARG A 64 6.375 6.092 -5.320 1.00 0.00 H new ATOM 0 HD3 ARG A 64 4.833 6.002 -6.148 1.00 0.00 H new ATOM 0 HE ARG A 64 6.372 8.076 -7.368 1.00 0.00 H new ATOM 0 HH11 ARG A 64 6.326 4.568 -6.971 1.00 0.00 H new ATOM 0 HH12 ARG A 64 7.155 4.268 -8.502 1.00 0.00 H new ATOM 0 HH21 ARG A 64 7.436 7.683 -9.333 1.00 0.00 H new ATOM 0 HH22 ARG A 64 7.781 6.024 -9.834 1.00 0.00 H new ATOM 980 N ARG A 65 1.717 10.326 -6.740 1.00 0.00 N ATOM 981 CA ARG A 65 1.064 11.305 -7.600 1.00 0.00 C ATOM 982 C ARG A 65 0.405 12.403 -6.771 1.00 0.00 C ATOM 983 O ARG A 65 0.690 13.587 -6.950 1.00 0.00 O ATOM 984 CB ARG A 65 0.018 10.621 -8.484 1.00 0.00 C ATOM 985 CG ARG A 65 -0.214 11.327 -9.810 1.00 0.00 C ATOM 986 CD ARG A 65 -1.123 12.534 -9.647 1.00 0.00 C ATOM 987 NE ARG A 65 -1.517 13.101 -10.934 1.00 0.00 N ATOM 988 CZ ARG A 65 -2.422 12.548 -11.734 1.00 0.00 C ATOM 989 NH1 ARG A 65 -3.024 11.421 -11.381 1.00 0.00 N ATOM 990 NH2 ARG A 65 -2.727 13.124 -12.890 1.00 0.00 N ATOM 0 H ARG A 65 1.385 9.369 -6.862 1.00 0.00 H new ATOM 0 HA ARG A 65 1.825 11.760 -8.234 1.00 0.00 H new ATOM 0 HB2 ARG A 65 0.333 9.596 -8.678 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -0.925 10.567 -7.941 1.00 0.00 H new ATOM 0 HG2 ARG A 65 0.742 11.644 -10.227 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -0.657 10.630 -10.522 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -2.014 12.244 -9.091 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -0.613 13.295 -9.057 1.00 0.00 H new ATOM 0 HE ARG A 65 -1.073 13.969 -11.235 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -2.793 10.976 -10.493 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -3.718 10.999 -11.998 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -2.266 13.992 -13.165 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -3.422 12.699 -13.504 1.00 0.00 H new ATOM 1004 N LYS A 66 -0.479 12.003 -5.864 1.00 0.00 N ATOM 1005 CA LYS A 66 -1.179 12.951 -5.006 1.00 0.00 C ATOM 1006 C LYS A 66 -0.227 14.030 -4.498 1.00 0.00 C ATOM 1007 O LYS A 66 -0.459 15.222 -4.701 1.00 0.00 O ATOM 1008 CB LYS A 66 -1.820 12.224 -3.822 1.00 0.00 C ATOM 1009 CG LYS A 66 -3.150 11.570 -4.158 1.00 0.00 C ATOM 1010 CD LYS A 66 -3.734 10.845 -2.957 1.00 0.00 C ATOM 1011 CE LYS A 66 -4.324 11.821 -1.950 1.00 0.00 C ATOM 1012 NZ LYS A 66 -5.541 12.497 -2.481 1.00 0.00 N ATOM 0 H LYS A 66 -0.728 11.027 -5.704 1.00 0.00 H new ATOM 0 HA LYS A 66 -1.961 13.428 -5.597 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -1.131 11.461 -3.458 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -1.969 12.933 -3.008 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -3.853 12.329 -4.503 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -3.013 10.865 -4.978 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -4.507 10.152 -3.289 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -2.957 10.250 -2.477 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -4.575 11.289 -1.032 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -3.577 12.570 -1.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -6.073 12.922 -1.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -5.260 13.241 -3.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -6.141 11.800 -2.968 1.00 0.00 H new ATOM 1026 N TYR A 67 0.844 13.604 -3.838 1.00 0.00 N ATOM 1027 CA TYR A 67 1.830 14.534 -3.300 1.00 0.00 C ATOM 1028 C TYR A 67 2.242 15.560 -4.351 1.00 0.00 C ATOM 1029 O TYR A 67 1.895 16.737 -4.255 1.00 0.00 O ATOM 1030 CB TYR A 67 3.061 13.774 -2.803 1.00 0.00 C ATOM 1031 CG TYR A 67 2.923 13.256 -1.389 1.00 0.00 C ATOM 1032 CD1 TYR A 67 2.557 14.104 -0.351 1.00 0.00 C ATOM 1033 CD2 TYR A 67 3.160 11.920 -1.091 1.00 0.00 C ATOM 1034 CE1 TYR A 67 2.431 13.636 0.943 1.00 0.00 C ATOM 1035 CE2 TYR A 67 3.034 11.443 0.199 1.00 0.00 C ATOM 1036 CZ TYR A 67 2.670 12.304 1.213 1.00 0.00 C ATOM 1037 OH TYR A 67 2.545 11.833 2.499 1.00 0.00 O ATOM 0 H TYR A 67 1.052 12.621 -3.663 1.00 0.00 H new ATOM 0 HA TYR A 67 1.374 15.062 -2.462 1.00 0.00 H new ATOM 0 HB2 TYR A 67 3.254 12.935 -3.471 1.00 0.00 H new ATOM 0 HB3 TYR A 67 3.929 14.431 -2.857 1.00 0.00 H new ATOM 0 HD1 TYR A 67 2.368 15.147 -0.559 1.00 0.00 H new ATOM 0 HD2 TYR A 67 3.448 11.243 -1.882 1.00 0.00 H new ATOM 0 HE1 TYR A 67 2.147 14.309 1.739 1.00 0.00 H new ATOM 0 HE2 TYR A 67 3.220 10.401 0.413 1.00 0.00 H new ATOM 0 HH TYR A 67 1.869 12.359 2.976 1.00 0.00 H new ATOM 1047 N ARG A 68 2.983 15.103 -5.355 1.00 0.00 N ATOM 1048 CA ARG A 68 3.444 15.980 -6.425 1.00 0.00 C ATOM 1049 C ARG A 68 2.286 16.791 -6.999 1.00 0.00 C ATOM 1050 O ARG A 68 2.474 17.915 -7.467 1.00 0.00 O ATOM 1051 CB ARG A 68 4.106 15.161 -7.535 1.00 0.00 C ATOM 1052 CG ARG A 68 4.773 16.011 -8.604 1.00 0.00 C ATOM 1053 CD ARG A 68 6.158 16.464 -8.171 1.00 0.00 C ATOM 1054 NE ARG A 68 7.150 15.402 -8.311 1.00 0.00 N ATOM 1055 CZ ARG A 68 8.456 15.624 -8.416 1.00 0.00 C ATOM 1056 NH1 ARG A 68 8.923 16.865 -8.398 1.00 0.00 N ATOM 1057 NH2 ARG A 68 9.296 14.605 -8.540 1.00 0.00 N ATOM 0 H ARG A 68 3.277 14.131 -5.450 1.00 0.00 H new ATOM 0 HA ARG A 68 4.176 16.670 -6.006 1.00 0.00 H new ATOM 0 HB2 ARG A 68 4.850 14.499 -7.092 1.00 0.00 H new ATOM 0 HB3 ARG A 68 3.354 14.526 -8.004 1.00 0.00 H new ATOM 0 HG2 ARG A 68 4.848 15.440 -9.530 1.00 0.00 H new ATOM 0 HG3 ARG A 68 4.154 16.882 -8.816 1.00 0.00 H new ATOM 0 HD2 ARG A 68 6.461 17.324 -8.768 1.00 0.00 H new ATOM 0 HD3 ARG A 68 6.123 16.793 -7.132 1.00 0.00 H new ATOM 0 HE ARG A 68 6.822 14.436 -8.329 1.00 0.00 H new ATOM 0 HH11 ARG A 68 8.280 17.651 -8.303 1.00 0.00 H new ATOM 0 HH12 ARG A 68 9.926 17.034 -8.479 1.00 0.00 H new ATOM 0 HH21 ARG A 68 8.940 13.649 -8.555 1.00 0.00 H new ATOM 0 HH22 ARG A 68 10.298 14.777 -8.621 1.00 0.00 H new ATOM 1071 N LEU A 69 1.090 16.215 -6.960 1.00 0.00 N ATOM 1072 CA LEU A 69 -0.099 16.885 -7.476 1.00 0.00 C ATOM 1073 C LEU A 69 -0.341 18.203 -6.749 1.00 0.00 C ATOM 1074 O LEU A 69 -0.504 19.249 -7.377 1.00 0.00 O ATOM 1075 CB LEU A 69 -1.322 15.977 -7.332 1.00 0.00 C ATOM 1076 CG LEU A 69 -2.411 16.145 -8.392 1.00 0.00 C ATOM 1077 CD1 LEU A 69 -3.139 14.830 -8.623 1.00 0.00 C ATOM 1078 CD2 LEU A 69 -3.391 17.235 -7.982 1.00 0.00 C ATOM 0 H LEU A 69 0.917 15.286 -6.577 1.00 0.00 H new ATOM 0 HA LEU A 69 0.065 17.100 -8.532 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.984 14.941 -7.348 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.766 16.152 -6.352 1.00 0.00 H new ATOM 0 HG LEU A 69 -1.938 16.443 -9.327 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.910 14.969 -9.381 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -2.429 14.076 -8.962 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -3.600 14.501 -7.692 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -4.159 17.341 -8.748 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -3.858 16.967 -7.034 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.859 18.179 -7.869 1.00 0.00 H new ATOM 1090 N MET A 70 -0.360 18.145 -5.421 1.00 0.00 N ATOM 1091 CA MET A 70 -0.579 19.336 -4.608 1.00 0.00 C ATOM 1092 C MET A 70 0.664 20.221 -4.594 1.00 0.00 C ATOM 1093 O MET A 70 0.576 21.429 -4.380 1.00 0.00 O ATOM 1094 CB MET A 70 -0.954 18.942 -3.178 1.00 0.00 C ATOM 1095 CG MET A 70 -1.324 20.125 -2.299 1.00 0.00 C ATOM 1096 SD MET A 70 -2.086 19.623 -0.744 1.00 0.00 S ATOM 1097 CE MET A 70 -0.639 19.426 0.294 1.00 0.00 C ATOM 0 H MET A 70 -0.227 17.287 -4.886 1.00 0.00 H new ATOM 0 HA MET A 70 -1.401 19.900 -5.049 1.00 0.00 H new ATOM 0 HB2 MET A 70 -1.793 18.247 -3.210 1.00 0.00 H new ATOM 0 HB3 MET A 70 -0.117 18.411 -2.725 1.00 0.00 H new ATOM 0 HG2 MET A 70 -0.429 20.710 -2.088 1.00 0.00 H new ATOM 0 HG3 MET A 70 -2.010 20.776 -2.842 1.00 0.00 H new ATOM 0 HE1 MET A 70 -0.948 19.134 1.298 1.00 0.00 H new ATOM 0 HE2 MET A 70 0.008 18.655 -0.126 1.00 0.00 H new ATOM 0 HE3 MET A 70 -0.095 20.369 0.342 1.00 0.00 H new ATOM 1107 N GLY A 71 1.823 19.610 -4.824 1.00 0.00 N ATOM 1108 CA GLY A 71 3.067 20.357 -4.833 1.00 0.00 C ATOM 1109 C GLY A 71 3.931 20.059 -3.625 1.00 0.00 C ATOM 1110 O GLY A 71 4.517 20.966 -3.033 1.00 0.00 O ATOM 0 H GLY A 71 1.922 18.611 -5.004 1.00 0.00 H new ATOM 0 HA2 GLY A 71 3.623 20.120 -5.740 1.00 0.00 H new ATOM 0 HA3 GLY A 71 2.846 21.424 -4.864 1.00 0.00 H new ATOM 1114 N ILE A 72 4.010 18.785 -3.256 1.00 0.00 N ATOM 1115 CA ILE A 72 4.809 18.370 -2.109 1.00 0.00 C ATOM 1116 C ILE A 72 6.124 17.740 -2.555 1.00 0.00 C ATOM 1117 O ILE A 72 6.140 16.843 -3.396 1.00 0.00 O ATOM 1118 CB ILE A 72 4.046 17.367 -1.225 1.00 0.00 C ATOM 1119 CG1 ILE A 72 2.753 17.996 -0.701 1.00 0.00 C ATOM 1120 CG2 ILE A 72 4.922 16.905 -0.070 1.00 0.00 C ATOM 1121 CD1 ILE A 72 2.959 19.345 -0.049 1.00 0.00 C ATOM 0 H ILE A 72 3.531 18.022 -3.734 1.00 0.00 H new ATOM 0 HA ILE A 72 5.018 19.268 -1.528 1.00 0.00 H new ATOM 0 HB ILE A 72 3.786 16.498 -1.829 1.00 0.00 H new ATOM 0 HG12 ILE A 72 2.050 18.104 -1.527 1.00 0.00 H new ATOM 0 HG13 ILE A 72 2.295 17.319 0.020 1.00 0.00 H new ATOM 0 HG21 ILE A 72 4.368 16.196 0.546 1.00 0.00 H new ATOM 0 HG22 ILE A 72 5.817 16.423 -0.463 1.00 0.00 H new ATOM 0 HG23 ILE A 72 5.209 17.765 0.535 1.00 0.00 H new ATOM 0 HD11 ILE A 72 2.001 19.731 0.299 1.00 0.00 H new ATOM 0 HD12 ILE A 72 3.637 19.240 0.798 1.00 0.00 H new ATOM 0 HD13 ILE A 72 3.388 20.037 -0.773 1.00 0.00 H new ATOM 1133 N GLU A 73 7.226 18.216 -1.982 1.00 0.00 N ATOM 1134 CA GLU A 73 8.546 17.697 -2.320 1.00 0.00 C ATOM 1135 C GLU A 73 8.786 16.344 -1.657 1.00 0.00 C ATOM 1136 O GLU A 73 9.091 16.268 -0.467 1.00 0.00 O ATOM 1137 CB GLU A 73 9.632 18.687 -1.891 1.00 0.00 C ATOM 1138 CG GLU A 73 9.324 19.400 -0.585 1.00 0.00 C ATOM 1139 CD GLU A 73 10.527 20.130 -0.022 1.00 0.00 C ATOM 1140 OE1 GLU A 73 10.805 21.259 -0.478 1.00 0.00 O ATOM 1141 OE2 GLU A 73 11.192 19.573 0.877 1.00 0.00 O ATOM 0 H GLU A 73 7.230 18.959 -1.283 1.00 0.00 H new ATOM 0 HA GLU A 73 8.590 17.565 -3.401 1.00 0.00 H new ATOM 0 HB2 GLU A 73 10.578 18.155 -1.790 1.00 0.00 H new ATOM 0 HB3 GLU A 73 9.766 19.429 -2.678 1.00 0.00 H new ATOM 0 HG2 GLU A 73 8.514 20.112 -0.746 1.00 0.00 H new ATOM 0 HG3 GLU A 73 8.969 18.674 0.146 1.00 0.00 H new ATOM 1148 N VAL A 74 8.644 15.276 -2.436 1.00 0.00 N ATOM 1149 CA VAL A 74 8.844 13.925 -1.926 1.00 0.00 C ATOM 1150 C VAL A 74 10.052 13.264 -2.582 1.00 0.00 C ATOM 1151 O VAL A 74 10.015 12.082 -2.925 1.00 0.00 O ATOM 1152 CB VAL A 74 7.601 13.046 -2.160 1.00 0.00 C ATOM 1153 CG1 VAL A 74 7.401 12.789 -3.646 1.00 0.00 C ATOM 1154 CG2 VAL A 74 7.723 11.737 -1.395 1.00 0.00 C ATOM 0 H VAL A 74 8.391 15.321 -3.423 1.00 0.00 H new ATOM 0 HA VAL A 74 9.019 14.014 -0.854 1.00 0.00 H new ATOM 0 HB VAL A 74 6.726 13.578 -1.787 1.00 0.00 H new ATOM 0 HG11 VAL A 74 6.518 12.166 -3.792 1.00 0.00 H new ATOM 0 HG12 VAL A 74 7.265 13.738 -4.164 1.00 0.00 H new ATOM 0 HG13 VAL A 74 8.276 12.278 -4.048 1.00 0.00 H new ATOM 0 HG21 VAL A 74 6.836 11.128 -1.572 1.00 0.00 H new ATOM 0 HG22 VAL A 74 8.607 11.198 -1.735 1.00 0.00 H new ATOM 0 HG23 VAL A 74 7.813 11.946 -0.329 1.00 0.00 H new ATOM 1164 N SER A 75 11.121 14.034 -2.753 1.00 0.00 N ATOM 1165 CA SER A 75 12.339 13.524 -3.371 1.00 0.00 C ATOM 1166 C SER A 75 13.388 13.194 -2.313 1.00 0.00 C ATOM 1167 O SER A 75 13.367 13.739 -1.210 1.00 0.00 O ATOM 1168 CB SER A 75 12.902 14.547 -4.360 1.00 0.00 C ATOM 1169 OG SER A 75 14.089 14.070 -4.968 1.00 0.00 O ATOM 0 H SER A 75 11.169 15.013 -2.472 1.00 0.00 H new ATOM 0 HA SER A 75 12.088 12.609 -3.908 1.00 0.00 H new ATOM 0 HB2 SER A 75 12.158 14.763 -5.127 1.00 0.00 H new ATOM 0 HB3 SER A 75 13.107 15.484 -3.842 1.00 0.00 H new ATOM 0 HG SER A 75 14.427 14.742 -5.597 1.00 0.00 H new ATOM 1175 N GLY A 76 14.305 12.296 -2.658 1.00 0.00 N ATOM 1176 CA GLY A 76 15.350 11.907 -1.729 1.00 0.00 C ATOM 1177 C GLY A 76 16.723 11.898 -2.370 1.00 0.00 C ATOM 1178 O GLY A 76 16.961 12.550 -3.387 1.00 0.00 O ATOM 0 H GLY A 76 14.343 11.831 -3.565 1.00 0.00 H new ATOM 0 HA2 GLY A 76 15.353 12.593 -0.882 1.00 0.00 H new ATOM 0 HA3 GLY A 76 15.130 10.915 -1.335 1.00 0.00 H new ATOM 1182 N PRO A 77 17.657 11.146 -1.768 1.00 0.00 N ATOM 1183 CA PRO A 77 19.030 11.038 -2.269 1.00 0.00 C ATOM 1184 C PRO A 77 19.110 10.263 -3.580 1.00 0.00 C ATOM 1185 O PRO A 77 19.328 9.051 -3.583 1.00 0.00 O ATOM 1186 CB PRO A 77 19.756 10.280 -1.155 1.00 0.00 C ATOM 1187 CG PRO A 77 18.687 9.502 -0.468 1.00 0.00 C ATOM 1188 CD PRO A 77 17.443 10.342 -0.553 1.00 0.00 C ATOM 0 HA PRO A 77 19.461 12.015 -2.490 1.00 0.00 H new ATOM 0 HB2 PRO A 77 20.526 9.623 -1.560 1.00 0.00 H new ATOM 0 HB3 PRO A 77 20.251 10.965 -0.467 1.00 0.00 H new ATOM 0 HG2 PRO A 77 18.538 8.535 -0.948 1.00 0.00 H new ATOM 0 HG3 PRO A 77 18.954 9.304 0.570 1.00 0.00 H new ATOM 0 HD2 PRO A 77 16.547 9.726 -0.631 1.00 0.00 H new ATOM 0 HD3 PRO A 77 17.322 10.971 0.329 1.00 0.00 H new ATOM 1196 N SER A 78 18.932 10.969 -4.692 1.00 0.00 N ATOM 1197 CA SER A 78 18.980 10.346 -6.009 1.00 0.00 C ATOM 1198 C SER A 78 17.867 9.314 -6.164 1.00 0.00 C ATOM 1199 O SER A 78 18.079 8.233 -6.713 1.00 0.00 O ATOM 1200 CB SER A 78 20.340 9.682 -6.233 1.00 0.00 C ATOM 1201 OG SER A 78 21.373 10.649 -6.314 1.00 0.00 O ATOM 0 H SER A 78 18.753 11.973 -4.707 1.00 0.00 H new ATOM 0 HA SER A 78 18.836 11.126 -6.757 1.00 0.00 H new ATOM 0 HB2 SER A 78 20.549 8.990 -5.417 1.00 0.00 H new ATOM 0 HB3 SER A 78 20.315 9.095 -7.151 1.00 0.00 H new ATOM 0 HG SER A 78 22.232 10.199 -6.456 1.00 0.00 H new ATOM 1207 N SER A 79 16.679 9.657 -5.675 1.00 0.00 N ATOM 1208 CA SER A 79 15.532 8.761 -5.755 1.00 0.00 C ATOM 1209 C SER A 79 15.332 8.259 -7.182 1.00 0.00 C ATOM 1210 O SER A 79 15.535 8.997 -8.145 1.00 0.00 O ATOM 1211 CB SER A 79 14.267 9.473 -5.271 1.00 0.00 C ATOM 1212 OG SER A 79 13.206 8.553 -5.079 1.00 0.00 O ATOM 0 H SER A 79 16.486 10.549 -5.219 1.00 0.00 H new ATOM 0 HA SER A 79 15.727 7.904 -5.111 1.00 0.00 H new ATOM 0 HB2 SER A 79 14.474 9.994 -4.336 1.00 0.00 H new ATOM 0 HB3 SER A 79 13.970 10.229 -5.998 1.00 0.00 H new ATOM 0 HG SER A 79 12.410 9.032 -4.768 1.00 0.00 H new ATOM 1218 N GLY A 80 14.934 6.997 -7.308 1.00 0.00 N ATOM 1219 CA GLY A 80 14.713 6.417 -8.620 1.00 0.00 C ATOM 1220 C GLY A 80 15.750 5.368 -8.972 1.00 0.00 C ATOM 1221 O GLY A 80 15.495 4.170 -8.856 1.00 0.00 O ATOM 0 H GLY A 80 14.761 6.366 -6.526 1.00 0.00 H new ATOM 0 HA2 GLY A 80 13.720 5.968 -8.653 1.00 0.00 H new ATOM 0 HA3 GLY A 80 14.730 7.207 -9.371 1.00 0.00 H new TER 1225 GLY A 80