USER MOD reduce.3.24.130724 H: found=0, std=0, add=740, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 743 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 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= -1.42 K(o=-1.4,f=-3.3!) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -0.626 K(o=-0.63,f=-2.3!) USER MOD Single : A 23 SER OG : rot -70:sc= 0.367 USER MOD Single : A 25 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 29 GLN : amide:sc= -0.638 X(o=-0.64,f=-0.5) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 153:sc= -0.943 (180deg=-1.69!) USER MOD Single : A 37 MET CE :methyl 155:sc= -0.509 (180deg=-1.5) USER MOD Single : A 40 ASN : amide:sc= -0.252 K(o=-0.25,f=-4.7!) USER MOD Single : A 41 SER OG : rot -170:sc= 0 USER MOD Single : A 47 TYR OH : rot 30:sc= 0 USER MOD Single : A 48 THR OG1 : rot -170:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= -0.0328 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot -53:sc= 0.241 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 HIS : no HD1:sc= -0.0633 X(o=-0.063,f=-0.09) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 HIS : no HD1:sc= -0.0127 X(o=-0.013,f=-0.013) USER MOD Single : A 69 HIS : no HD1:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 71 ASN : amide:sc= 0.182 K(o=0.18,f=-4.4!) USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 82 TYR OH : rot 41:sc= 0.0026 USER MOD Single : A 83 CYS SG : rot 2:sc= 0.411 USER MOD Single : A 86 SER OG : rot 34:sc= 0.318 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 HIS : no HD1:sc= 0 X(o=0,f=-0.0016) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 HIS : no HD1:sc= -1.89 K(o=-1.9,f=-0.72) USER MOD Single : A 95 GLN : amide:sc= -0.864 K(o=-0.86,f=-4.4!) USER MOD Single : A 96 HIS : no HD1:sc= 0 X(o=0,f=-0.068) USER MOD Single : A 97 ASN : amide:sc= -1.57 K(o=-1.6,f=-0.025) USER MOD Single : A 98 SER OG : rot 24:sc= 0.133 USER MOD Single : A 101 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 HIS : no HD1:sc= -0.659 X(o=-0.66,f=-0.66) USER MOD Single : A 110 SER OG : rot 35:sc= 0.23 USER MOD ----------------------------------------------------------------- ATOM 66 N LEU A 8 2.361 -11.362 -8.670 1.00 0.00 N ATOM 67 CA LEU A 8 2.184 -10.034 -8.094 1.00 0.00 C ATOM 68 C LEU A 8 3.214 -9.056 -8.651 1.00 0.00 C ATOM 69 O LEU A 8 3.077 -7.842 -8.502 1.00 0.00 O ATOM 70 CB LEU A 8 2.298 -10.098 -6.570 1.00 0.00 C ATOM 71 CG LEU A 8 1.000 -10.378 -5.811 1.00 0.00 C ATOM 72 CD1 LEU A 8 1.275 -10.528 -4.322 1.00 0.00 C ATOM 73 CD2 LEU A 8 -0.013 -9.271 -6.060 1.00 0.00 C ATOM 0 HA LEU A 8 1.190 -9.678 -8.364 1.00 0.00 H new ATOM 0 HB2 LEU A 8 3.021 -10.872 -6.312 1.00 0.00 H new ATOM 0 HB3 LEU A 8 2.705 -9.151 -6.216 1.00 0.00 H new ATOM 0 HG LEU A 8 0.581 -11.315 -6.178 1.00 0.00 H new ATOM 0 HD11 LEU A 8 0.340 -10.727 -3.798 1.00 0.00 H new ATOM 0 HD12 LEU A 8 1.965 -11.357 -4.161 1.00 0.00 H new ATOM 0 HD13 LEU A 8 1.717 -9.608 -3.939 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -0.930 -9.487 -5.512 1.00 0.00 H new ATOM 0 HD22 LEU A 8 0.397 -8.320 -5.721 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -0.233 -9.212 -7.126 1.00 0.00 H new ATOM 85 N ASP A 9 4.242 -9.594 -9.298 1.00 0.00 N ATOM 86 CA ASP A 9 5.294 -8.770 -9.881 1.00 0.00 C ATOM 87 C ASP A 9 4.779 -8.018 -11.106 1.00 0.00 C ATOM 88 O ASP A 9 5.262 -6.933 -11.428 1.00 0.00 O ATOM 89 CB ASP A 9 6.495 -9.635 -10.267 1.00 0.00 C ATOM 90 CG ASP A 9 6.127 -10.732 -11.246 1.00 0.00 C ATOM 91 OD1 ASP A 9 6.116 -10.461 -12.465 1.00 0.00 O ATOM 92 OD2 ASP A 9 5.849 -11.863 -10.793 1.00 0.00 O ATOM 0 H ASP A 9 4.369 -10.597 -9.432 1.00 0.00 H new ATOM 0 HA ASP A 9 5.607 -8.041 -9.133 1.00 0.00 H new ATOM 0 HB2 ASP A 9 7.267 -9.004 -10.706 1.00 0.00 H new ATOM 0 HB3 ASP A 9 6.921 -10.082 -9.369 1.00 0.00 H new ATOM 97 N ASP A 10 3.796 -8.603 -11.782 1.00 0.00 N ATOM 98 CA ASP A 10 3.215 -7.988 -12.970 1.00 0.00 C ATOM 99 C ASP A 10 2.908 -6.515 -12.724 1.00 0.00 C ATOM 100 O ASP A 10 3.252 -5.655 -13.536 1.00 0.00 O ATOM 101 CB ASP A 10 1.941 -8.727 -13.381 1.00 0.00 C ATOM 102 CG ASP A 10 1.139 -7.966 -14.418 1.00 0.00 C ATOM 103 OD1 ASP A 10 1.751 -7.215 -15.207 1.00 0.00 O ATOM 104 OD2 ASP A 10 -0.099 -8.121 -14.442 1.00 0.00 O ATOM 0 H ASP A 10 3.385 -9.501 -11.528 1.00 0.00 H new ATOM 0 HA ASP A 10 3.943 -8.058 -13.779 1.00 0.00 H new ATOM 0 HB2 ASP A 10 2.205 -9.707 -13.778 1.00 0.00 H new ATOM 0 HB3 ASP A 10 1.322 -8.896 -12.500 1.00 0.00 H new ATOM 109 N TYR A 11 2.258 -6.230 -11.602 1.00 0.00 N ATOM 110 CA TYR A 11 1.900 -4.861 -11.251 1.00 0.00 C ATOM 111 C TYR A 11 3.146 -4.035 -10.943 1.00 0.00 C ATOM 112 O TYR A 11 4.243 -4.575 -10.803 1.00 0.00 O ATOM 113 CB TYR A 11 0.956 -4.850 -10.048 1.00 0.00 C ATOM 114 CG TYR A 11 -0.310 -5.648 -10.265 1.00 0.00 C ATOM 115 CD1 TYR A 11 -1.295 -5.204 -11.137 1.00 0.00 C ATOM 116 CD2 TYR A 11 -0.519 -6.849 -9.596 1.00 0.00 C ATOM 117 CE1 TYR A 11 -2.453 -5.930 -11.337 1.00 0.00 C ATOM 118 CE2 TYR A 11 -1.674 -7.583 -9.791 1.00 0.00 C ATOM 119 CZ TYR A 11 -2.638 -7.119 -10.662 1.00 0.00 C ATOM 120 OH TYR A 11 -3.789 -7.846 -10.860 1.00 0.00 O ATOM 0 H TYR A 11 1.968 -6.930 -10.919 1.00 0.00 H new ATOM 0 HA TYR A 11 1.392 -4.414 -12.106 1.00 0.00 H new ATOM 0 HB2 TYR A 11 1.482 -5.248 -9.180 1.00 0.00 H new ATOM 0 HB3 TYR A 11 0.690 -3.819 -9.815 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -1.153 -4.274 -11.668 1.00 0.00 H new ATOM 0 HD2 TYR A 11 0.233 -7.214 -8.913 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -3.209 -5.569 -12.018 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -1.821 -8.514 -9.264 1.00 0.00 H new ATOM 0 HH TYR A 11 -3.762 -8.657 -10.311 1.00 0.00 H new ATOM 130 N ASP A 12 2.965 -2.723 -10.837 1.00 0.00 N ATOM 131 CA ASP A 12 4.073 -1.821 -10.542 1.00 0.00 C ATOM 132 C ASP A 12 4.104 -1.464 -9.059 1.00 0.00 C ATOM 133 O ASP A 12 5.159 -1.495 -8.426 1.00 0.00 O ATOM 134 CB ASP A 12 3.959 -0.548 -11.384 1.00 0.00 C ATOM 135 CG ASP A 12 4.090 -0.822 -12.868 1.00 0.00 C ATOM 136 OD1 ASP A 12 5.226 -1.071 -13.328 1.00 0.00 O ATOM 137 OD2 ASP A 12 3.060 -0.788 -13.572 1.00 0.00 O ATOM 0 H ASP A 12 2.063 -2.261 -10.951 1.00 0.00 H new ATOM 0 HA ASP A 12 5.002 -2.332 -10.793 1.00 0.00 H new ATOM 0 HB2 ASP A 12 2.998 -0.072 -11.189 1.00 0.00 H new ATOM 0 HB3 ASP A 12 4.732 0.157 -11.078 1.00 0.00 H new ATOM 142 N TRP A 13 2.942 -1.127 -8.512 1.00 0.00 N ATOM 143 CA TRP A 13 2.836 -0.764 -7.104 1.00 0.00 C ATOM 144 C TRP A 13 3.447 -1.843 -6.217 1.00 0.00 C ATOM 145 O TRP A 13 3.996 -1.549 -5.155 1.00 0.00 O ATOM 146 CB TRP A 13 1.372 -0.540 -6.723 1.00 0.00 C ATOM 147 CG TRP A 13 0.428 -1.478 -7.412 1.00 0.00 C ATOM 148 CD1 TRP A 13 -0.258 -1.246 -8.569 1.00 0.00 C ATOM 149 CD2 TRP A 13 0.067 -2.796 -6.986 1.00 0.00 C ATOM 150 NE1 TRP A 13 -1.026 -2.341 -8.888 1.00 0.00 N ATOM 151 CE2 TRP A 13 -0.844 -3.306 -7.933 1.00 0.00 C ATOM 152 CE3 TRP A 13 0.424 -3.598 -5.897 1.00 0.00 C ATOM 153 CZ2 TRP A 13 -1.399 -4.577 -7.822 1.00 0.00 C ATOM 154 CZ3 TRP A 13 -0.129 -4.859 -5.789 1.00 0.00 C ATOM 155 CH2 TRP A 13 -1.032 -5.339 -6.747 1.00 0.00 C ATOM 0 H TRP A 13 2.059 -1.098 -9.022 1.00 0.00 H new ATOM 0 HA TRP A 13 3.389 0.162 -6.950 1.00 0.00 H new ATOM 0 HB2 TRP A 13 1.263 -0.654 -5.644 1.00 0.00 H new ATOM 0 HB3 TRP A 13 1.094 0.486 -6.965 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -0.205 -0.336 -9.149 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -1.633 -2.422 -9.704 1.00 0.00 H new ATOM 0 HE3 TRP A 13 1.120 -3.238 -5.154 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -2.095 -4.949 -8.559 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 0.139 -5.486 -4.952 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -1.446 -6.330 -6.634 1.00 0.00 H new ATOM 166 N PHE A 14 3.348 -3.092 -6.658 1.00 0.00 N ATOM 167 CA PHE A 14 3.891 -4.215 -5.902 1.00 0.00 C ATOM 168 C PHE A 14 5.416 -4.189 -5.910 1.00 0.00 C ATOM 169 O PHE A 14 6.047 -4.423 -6.941 1.00 0.00 O ATOM 170 CB PHE A 14 3.388 -5.538 -6.484 1.00 0.00 C ATOM 171 CG PHE A 14 3.854 -6.744 -5.718 1.00 0.00 C ATOM 172 CD1 PHE A 14 3.385 -6.992 -4.438 1.00 0.00 C ATOM 173 CD2 PHE A 14 4.761 -7.630 -6.279 1.00 0.00 C ATOM 174 CE1 PHE A 14 3.810 -8.101 -3.731 1.00 0.00 C ATOM 175 CE2 PHE A 14 5.189 -8.740 -5.577 1.00 0.00 C ATOM 176 CZ PHE A 14 4.715 -8.976 -4.301 1.00 0.00 C ATOM 0 H PHE A 14 2.897 -3.353 -7.535 1.00 0.00 H new ATOM 0 HA PHE A 14 3.550 -4.127 -4.871 1.00 0.00 H new ATOM 0 HB2 PHE A 14 2.298 -5.527 -6.502 1.00 0.00 H new ATOM 0 HB3 PHE A 14 3.723 -5.622 -7.518 1.00 0.00 H new ATOM 0 HD1 PHE A 14 2.679 -6.310 -3.987 1.00 0.00 H new ATOM 0 HD2 PHE A 14 5.137 -7.450 -7.275 1.00 0.00 H new ATOM 0 HE1 PHE A 14 3.435 -8.283 -2.735 1.00 0.00 H new ATOM 0 HE2 PHE A 14 5.894 -9.424 -6.026 1.00 0.00 H new ATOM 0 HZ PHE A 14 5.051 -9.842 -3.750 1.00 0.00 H new ATOM 186 N ALA A 15 6.003 -3.903 -4.752 1.00 0.00 N ATOM 187 CA ALA A 15 7.454 -3.848 -4.624 1.00 0.00 C ATOM 188 C ALA A 15 8.031 -5.225 -4.313 1.00 0.00 C ATOM 189 O ALA A 15 8.883 -5.730 -5.040 1.00 0.00 O ATOM 190 CB ALA A 15 7.850 -2.850 -3.546 1.00 0.00 C ATOM 0 H ALA A 15 5.496 -3.706 -3.889 1.00 0.00 H new ATOM 0 HA ALA A 15 7.867 -3.519 -5.578 1.00 0.00 H new ATOM 0 HB1 ALA A 15 8.936 -2.819 -3.461 1.00 0.00 H new ATOM 0 HB2 ALA A 15 7.478 -1.860 -3.812 1.00 0.00 H new ATOM 0 HB3 ALA A 15 7.420 -3.155 -2.592 1.00 0.00 H new ATOM 196 N GLY A 16 7.559 -5.826 -3.225 1.00 0.00 N ATOM 197 CA GLY A 16 8.040 -7.138 -2.836 1.00 0.00 C ATOM 198 C GLY A 16 8.769 -7.118 -1.507 1.00 0.00 C ATOM 199 O GLY A 16 8.675 -6.150 -0.755 1.00 0.00 O ATOM 0 H GLY A 16 6.852 -5.428 -2.607 1.00 0.00 H new ATOM 0 HA2 GLY A 16 7.197 -7.827 -2.774 1.00 0.00 H new ATOM 0 HA3 GLY A 16 8.708 -7.520 -3.608 1.00 0.00 H new ATOM 203 N ASN A 17 9.498 -8.192 -1.217 1.00 0.00 N ATOM 204 CA ASN A 17 10.244 -8.294 0.032 1.00 0.00 C ATOM 205 C ASN A 17 11.182 -7.104 0.204 1.00 0.00 C ATOM 206 O ASN A 17 12.328 -7.133 -0.247 1.00 0.00 O ATOM 207 CB ASN A 17 11.045 -9.598 0.065 1.00 0.00 C ATOM 208 CG ASN A 17 11.847 -9.816 -1.203 1.00 0.00 C ATOM 209 OD1 ASN A 17 12.046 -8.893 -1.992 1.00 0.00 O ATOM 210 ND2 ASN A 17 12.312 -11.044 -1.404 1.00 0.00 N ATOM 0 H ASN A 17 9.588 -9.003 -1.830 1.00 0.00 H new ATOM 0 HA ASN A 17 9.529 -8.292 0.855 1.00 0.00 H new ATOM 0 HB2 ASN A 17 11.720 -9.585 0.921 1.00 0.00 H new ATOM 0 HB3 ASN A 17 10.363 -10.436 0.209 1.00 0.00 H new ATOM 0 HD21 ASN A 17 12.859 -11.252 -2.240 1.00 0.00 H new ATOM 0 HD22 ASN A 17 12.123 -11.779 -0.723 1.00 0.00 H new ATOM 217 N ILE A 18 10.688 -6.058 0.858 1.00 0.00 N ATOM 218 CA ILE A 18 11.482 -4.858 1.092 1.00 0.00 C ATOM 219 C ILE A 18 11.569 -4.537 2.580 1.00 0.00 C ATOM 220 O ILE A 18 10.611 -4.741 3.326 1.00 0.00 O ATOM 221 CB ILE A 18 10.898 -3.643 0.349 1.00 0.00 C ATOM 222 CG1 ILE A 18 9.476 -3.356 0.836 1.00 0.00 C ATOM 223 CG2 ILE A 18 10.910 -3.884 -1.153 1.00 0.00 C ATOM 224 CD1 ILE A 18 8.826 -2.179 0.143 1.00 0.00 C ATOM 0 H ILE A 18 9.741 -6.017 1.235 1.00 0.00 H new ATOM 0 HA ILE A 18 12.482 -5.062 0.708 1.00 0.00 H new ATOM 0 HB ILE A 18 11.519 -2.773 0.562 1.00 0.00 H new ATOM 0 HG12 ILE A 18 8.862 -4.243 0.681 1.00 0.00 H new ATOM 0 HG13 ILE A 18 9.499 -3.168 1.909 1.00 0.00 H new ATOM 0 HG21 ILE A 18 10.494 -3.016 -1.664 1.00 0.00 H new ATOM 0 HG22 ILE A 18 11.935 -4.045 -1.487 1.00 0.00 H new ATOM 0 HG23 ILE A 18 10.310 -4.764 -1.385 1.00 0.00 H new ATOM 0 HD11 ILE A 18 7.821 -2.034 0.538 1.00 0.00 H new ATOM 0 HD12 ILE A 18 9.418 -1.281 0.319 1.00 0.00 H new ATOM 0 HD13 ILE A 18 8.770 -2.373 -0.928 1.00 0.00 H new ATOM 236 N SER A 19 12.722 -4.033 3.004 1.00 0.00 N ATOM 237 CA SER A 19 12.935 -3.683 4.405 1.00 0.00 C ATOM 238 C SER A 19 12.449 -2.266 4.692 1.00 0.00 C ATOM 239 O SER A 19 12.415 -1.418 3.800 1.00 0.00 O ATOM 240 CB SER A 19 14.417 -3.810 4.764 1.00 0.00 C ATOM 241 OG SER A 19 14.824 -5.168 4.780 1.00 0.00 O ATOM 0 H SER A 19 13.524 -3.857 2.399 1.00 0.00 H new ATOM 0 HA SER A 19 12.359 -4.376 5.019 1.00 0.00 H new ATOM 0 HB2 SER A 19 15.018 -3.256 4.043 1.00 0.00 H new ATOM 0 HB3 SER A 19 14.597 -3.362 5.741 1.00 0.00 H new ATOM 0 HG SER A 19 15.775 -5.222 5.010 1.00 0.00 H new ATOM 247 N ARG A 20 12.077 -2.017 5.943 1.00 0.00 N ATOM 248 CA ARG A 20 11.592 -0.704 6.349 1.00 0.00 C ATOM 249 C ARG A 20 12.524 0.397 5.852 1.00 0.00 C ATOM 250 O ARG A 20 12.107 1.540 5.662 1.00 0.00 O ATOM 251 CB ARG A 20 11.465 -0.631 7.871 1.00 0.00 C ATOM 252 CG ARG A 20 10.800 0.642 8.367 1.00 0.00 C ATOM 253 CD ARG A 20 10.802 0.717 9.886 1.00 0.00 C ATOM 254 NE ARG A 20 10.250 1.979 10.373 1.00 0.00 N ATOM 255 CZ ARG A 20 10.467 2.453 11.594 1.00 0.00 C ATOM 256 NH1 ARG A 20 11.222 1.775 12.448 1.00 0.00 N ATOM 257 NH2 ARG A 20 9.931 3.609 11.964 1.00 0.00 N ATOM 0 H ARG A 20 12.102 -2.708 6.693 1.00 0.00 H new ATOM 0 HA ARG A 20 10.609 -0.554 5.902 1.00 0.00 H new ATOM 0 HB2 ARG A 20 10.892 -1.490 8.221 1.00 0.00 H new ATOM 0 HB3 ARG A 20 12.458 -0.708 8.314 1.00 0.00 H new ATOM 0 HG2 ARG A 20 11.320 1.508 7.958 1.00 0.00 H new ATOM 0 HG3 ARG A 20 9.774 0.684 8.001 1.00 0.00 H new ATOM 0 HD2 ARG A 20 10.222 -0.112 10.291 1.00 0.00 H new ATOM 0 HD3 ARG A 20 11.822 0.602 10.253 1.00 0.00 H new ATOM 0 HE ARG A 20 9.666 2.526 9.740 1.00 0.00 H new ATOM 0 HH11 ARG A 20 11.638 0.887 12.167 1.00 0.00 H new ATOM 0 HH12 ARG A 20 11.387 2.142 13.385 1.00 0.00 H new ATOM 0 HH21 ARG A 20 9.351 4.135 11.310 1.00 0.00 H new ATOM 0 HH22 ARG A 20 10.099 3.972 12.902 1.00 0.00 H new ATOM 271 N SER A 21 13.789 0.045 5.643 1.00 0.00 N ATOM 272 CA SER A 21 14.782 1.004 5.173 1.00 0.00 C ATOM 273 C SER A 21 14.549 1.351 3.705 1.00 0.00 C ATOM 274 O SER A 21 14.453 2.523 3.342 1.00 0.00 O ATOM 275 CB SER A 21 16.192 0.442 5.358 1.00 0.00 C ATOM 276 OG SER A 21 16.579 0.474 6.721 1.00 0.00 O ATOM 0 H SER A 21 14.150 -0.897 5.792 1.00 0.00 H new ATOM 0 HA SER A 21 14.681 1.914 5.764 1.00 0.00 H new ATOM 0 HB2 SER A 21 16.229 -0.583 4.990 1.00 0.00 H new ATOM 0 HB3 SER A 21 16.898 1.020 4.762 1.00 0.00 H new ATOM 0 HG SER A 21 17.483 0.108 6.813 1.00 0.00 H new ATOM 282 N GLN A 22 14.459 0.323 2.868 1.00 0.00 N ATOM 283 CA GLN A 22 14.238 0.518 1.440 1.00 0.00 C ATOM 284 C GLN A 22 12.866 1.130 1.180 1.00 0.00 C ATOM 285 O GLN A 22 12.758 2.229 0.637 1.00 0.00 O ATOM 286 CB GLN A 22 14.366 -0.812 0.696 1.00 0.00 C ATOM 287 CG GLN A 22 15.791 -1.141 0.279 1.00 0.00 C ATOM 288 CD GLN A 22 16.663 -1.544 1.452 1.00 0.00 C ATOM 289 OE1 GLN A 22 16.226 -2.266 2.347 1.00 0.00 O ATOM 290 NE2 GLN A 22 17.907 -1.077 1.452 1.00 0.00 N ATOM 0 H GLN A 22 14.536 -0.653 3.154 1.00 0.00 H new ATOM 0 HA GLN A 22 14.998 1.207 1.071 1.00 0.00 H new ATOM 0 HB2 GLN A 22 13.988 -1.613 1.332 1.00 0.00 H new ATOM 0 HB3 GLN A 22 13.734 -0.785 -0.191 1.00 0.00 H new ATOM 0 HG2 GLN A 22 15.774 -1.950 -0.451 1.00 0.00 H new ATOM 0 HG3 GLN A 22 16.230 -0.274 -0.215 1.00 0.00 H new ATOM 0 HE21 GLN A 22 18.228 -0.481 0.689 1.00 0.00 H new ATOM 0 HE22 GLN A 22 18.541 -1.315 2.215 1.00 0.00 H new ATOM 299 N SER A 23 11.819 0.411 1.571 1.00 0.00 N ATOM 300 CA SER A 23 10.453 0.881 1.377 1.00 0.00 C ATOM 301 C SER A 23 10.368 2.393 1.553 1.00 0.00 C ATOM 302 O SER A 23 10.028 3.120 0.621 1.00 0.00 O ATOM 303 CB SER A 23 9.508 0.187 2.360 1.00 0.00 C ATOM 304 OG SER A 23 9.981 0.300 3.689 1.00 0.00 O ATOM 0 H SER A 23 11.891 -0.500 2.024 1.00 0.00 H new ATOM 0 HA SER A 23 10.152 0.635 0.359 1.00 0.00 H new ATOM 0 HB2 SER A 23 8.514 0.628 2.286 1.00 0.00 H new ATOM 0 HB3 SER A 23 9.411 -0.866 2.094 1.00 0.00 H new ATOM 0 HG SER A 23 10.787 -0.247 3.797 1.00 0.00 H new ATOM 310 N GLU A 24 10.680 2.860 2.759 1.00 0.00 N ATOM 311 CA GLU A 24 10.639 4.286 3.059 1.00 0.00 C ATOM 312 C GLU A 24 11.432 5.083 2.028 1.00 0.00 C ATOM 313 O GLU A 24 10.915 6.020 1.421 1.00 0.00 O ATOM 314 CB GLU A 24 11.193 4.551 4.461 1.00 0.00 C ATOM 315 CG GLU A 24 10.174 4.338 5.568 1.00 0.00 C ATOM 316 CD GLU A 24 10.537 5.073 6.844 1.00 0.00 C ATOM 317 OE1 GLU A 24 11.665 4.874 7.342 1.00 0.00 O ATOM 318 OE2 GLU A 24 9.694 5.846 7.344 1.00 0.00 O ATOM 0 H GLU A 24 10.963 2.272 3.543 1.00 0.00 H new ATOM 0 HA GLU A 24 9.599 4.609 3.020 1.00 0.00 H new ATOM 0 HB2 GLU A 24 12.048 3.897 4.634 1.00 0.00 H new ATOM 0 HB3 GLU A 24 11.561 5.576 4.509 1.00 0.00 H new ATOM 0 HG2 GLU A 24 9.195 4.674 5.225 1.00 0.00 H new ATOM 0 HG3 GLU A 24 10.089 3.272 5.779 1.00 0.00 H new ATOM 325 N GLN A 25 12.691 4.702 1.835 1.00 0.00 N ATOM 326 CA GLN A 25 13.557 5.381 0.879 1.00 0.00 C ATOM 327 C GLN A 25 12.857 5.548 -0.466 1.00 0.00 C ATOM 328 O GLN A 25 12.471 6.655 -0.844 1.00 0.00 O ATOM 329 CB GLN A 25 14.860 4.603 0.695 1.00 0.00 C ATOM 330 CG GLN A 25 15.786 5.204 -0.349 1.00 0.00 C ATOM 331 CD GLN A 25 16.965 4.305 -0.669 1.00 0.00 C ATOM 332 OE1 GLN A 25 17.240 3.344 0.047 1.00 0.00 O ATOM 333 NE2 GLN A 25 17.668 4.616 -1.752 1.00 0.00 N ATOM 0 H GLN A 25 13.134 3.927 2.328 1.00 0.00 H new ATOM 0 HA GLN A 25 13.786 6.370 1.275 1.00 0.00 H new ATOM 0 HB2 GLN A 25 15.384 4.557 1.650 1.00 0.00 H new ATOM 0 HB3 GLN A 25 14.624 3.577 0.412 1.00 0.00 H new ATOM 0 HG2 GLN A 25 15.222 5.396 -1.262 1.00 0.00 H new ATOM 0 HG3 GLN A 25 16.154 6.166 0.007 1.00 0.00 H new ATOM 0 HE21 GLN A 25 17.404 5.423 -2.317 1.00 0.00 H new ATOM 0 HE22 GLN A 25 18.472 4.048 -2.019 1.00 0.00 H new ATOM 342 N LEU A 26 12.695 4.443 -1.184 1.00 0.00 N ATOM 343 CA LEU A 26 12.041 4.466 -2.488 1.00 0.00 C ATOM 344 C LEU A 26 10.889 5.464 -2.501 1.00 0.00 C ATOM 345 O LEU A 26 10.926 6.463 -3.221 1.00 0.00 O ATOM 346 CB LEU A 26 11.527 3.070 -2.847 1.00 0.00 C ATOM 347 CG LEU A 26 12.570 1.954 -2.863 1.00 0.00 C ATOM 348 CD1 LEU A 26 11.897 0.595 -2.967 1.00 0.00 C ATOM 349 CD2 LEU A 26 13.549 2.155 -4.011 1.00 0.00 C ATOM 0 H LEU A 26 13.008 3.519 -0.886 1.00 0.00 H new ATOM 0 HA LEU A 26 12.775 4.778 -3.231 1.00 0.00 H new ATOM 0 HB2 LEU A 26 10.745 2.799 -2.137 1.00 0.00 H new ATOM 0 HB3 LEU A 26 11.061 3.118 -3.831 1.00 0.00 H new ATOM 0 HG LEU A 26 13.126 1.990 -1.926 1.00 0.00 H new ATOM 0 HD11 LEU A 26 12.656 -0.187 -2.977 1.00 0.00 H new ATOM 0 HD12 LEU A 26 11.237 0.449 -2.112 1.00 0.00 H new ATOM 0 HD13 LEU A 26 11.314 0.547 -3.887 1.00 0.00 H new ATOM 0 HD21 LEU A 26 14.285 1.351 -4.007 1.00 0.00 H new ATOM 0 HD22 LEU A 26 13.007 2.146 -4.957 1.00 0.00 H new ATOM 0 HD23 LEU A 26 14.057 3.112 -3.893 1.00 0.00 H new ATOM 361 N LEU A 27 9.866 5.190 -1.699 1.00 0.00 N ATOM 362 CA LEU A 27 8.702 6.066 -1.616 1.00 0.00 C ATOM 363 C LEU A 27 9.118 7.532 -1.680 1.00 0.00 C ATOM 364 O LEU A 27 8.558 8.314 -2.449 1.00 0.00 O ATOM 365 CB LEU A 27 7.930 5.800 -0.323 1.00 0.00 C ATOM 366 CG LEU A 27 6.944 4.632 -0.358 1.00 0.00 C ATOM 367 CD1 LEU A 27 6.453 4.305 1.043 1.00 0.00 C ATOM 368 CD2 LEU A 27 5.772 4.950 -1.275 1.00 0.00 C ATOM 0 H LEU A 27 9.819 4.368 -1.097 1.00 0.00 H new ATOM 0 HA LEU A 27 8.057 5.853 -2.468 1.00 0.00 H new ATOM 0 HB2 LEU A 27 8.650 5.618 0.475 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.382 6.704 -0.058 1.00 0.00 H new ATOM 0 HG LEU A 27 7.461 3.757 -0.753 1.00 0.00 H new ATOM 0 HD11 LEU A 27 5.752 3.471 0.998 1.00 0.00 H new ATOM 0 HD12 LEU A 27 7.301 4.033 1.671 1.00 0.00 H new ATOM 0 HD13 LEU A 27 5.953 5.176 1.466 1.00 0.00 H new ATOM 0 HD21 LEU A 27 5.081 4.107 -1.287 1.00 0.00 H new ATOM 0 HD22 LEU A 27 5.255 5.838 -0.911 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.139 5.133 -2.285 1.00 0.00 H new ATOM 380 N ARG A 28 10.105 7.898 -0.869 1.00 0.00 N ATOM 381 CA ARG A 28 10.598 9.270 -0.836 1.00 0.00 C ATOM 382 C ARG A 28 11.270 9.639 -2.155 1.00 0.00 C ATOM 383 O ARG A 28 10.874 10.599 -2.815 1.00 0.00 O ATOM 384 CB ARG A 28 11.584 9.452 0.320 1.00 0.00 C ATOM 385 CG ARG A 28 10.942 9.331 1.693 1.00 0.00 C ATOM 386 CD ARG A 28 11.988 9.158 2.784 1.00 0.00 C ATOM 387 NE ARG A 28 12.762 10.378 2.997 1.00 0.00 N ATOM 388 CZ ARG A 28 12.329 11.408 3.715 1.00 0.00 C ATOM 389 NH1 ARG A 28 11.133 11.365 4.286 1.00 0.00 N ATOM 390 NH2 ARG A 28 13.092 12.483 3.865 1.00 0.00 N ATOM 0 H ARG A 28 10.579 7.264 -0.226 1.00 0.00 H new ATOM 0 HA ARG A 28 9.745 9.932 -0.686 1.00 0.00 H new ATOM 0 HB2 ARG A 28 12.376 8.708 0.232 1.00 0.00 H new ATOM 0 HB3 ARG A 28 12.055 10.431 0.234 1.00 0.00 H new ATOM 0 HG2 ARG A 28 10.346 10.220 1.897 1.00 0.00 H new ATOM 0 HG3 ARG A 28 10.260 8.481 1.703 1.00 0.00 H new ATOM 0 HD2 ARG A 28 11.498 8.872 3.715 1.00 0.00 H new ATOM 0 HD3 ARG A 28 12.661 8.344 2.515 1.00 0.00 H new ATOM 0 HE ARG A 28 13.686 10.443 2.571 1.00 0.00 H new ATOM 0 HH11 ARG A 28 10.544 10.540 4.174 1.00 0.00 H new ATOM 0 HH12 ARG A 28 10.802 12.157 4.837 1.00 0.00 H new ATOM 0 HH21 ARG A 28 14.013 12.520 3.428 1.00 0.00 H new ATOM 0 HH22 ARG A 28 12.757 13.273 4.417 1.00 0.00 H new ATOM 404 N GLN A 29 12.289 8.871 -2.529 1.00 0.00 N ATOM 405 CA GLN A 29 13.015 9.120 -3.768 1.00 0.00 C ATOM 406 C GLN A 29 12.055 9.444 -4.908 1.00 0.00 C ATOM 407 O GLN A 29 12.251 10.412 -5.643 1.00 0.00 O ATOM 408 CB GLN A 29 13.869 7.905 -4.135 1.00 0.00 C ATOM 409 CG GLN A 29 15.268 7.941 -3.541 1.00 0.00 C ATOM 410 CD GLN A 29 15.996 9.236 -3.843 1.00 0.00 C ATOM 411 OE1 GLN A 29 16.516 9.426 -4.944 1.00 0.00 O ATOM 412 NE2 GLN A 29 16.038 10.134 -2.867 1.00 0.00 N ATOM 0 H GLN A 29 12.629 8.073 -1.993 1.00 0.00 H new ATOM 0 HA GLN A 29 13.666 9.980 -3.611 1.00 0.00 H new ATOM 0 HB2 GLN A 29 13.363 7.001 -3.797 1.00 0.00 H new ATOM 0 HB3 GLN A 29 13.946 7.840 -5.220 1.00 0.00 H new ATOM 0 HG2 GLN A 29 15.204 7.808 -2.461 1.00 0.00 H new ATOM 0 HG3 GLN A 29 15.846 7.104 -3.932 1.00 0.00 H new ATOM 0 HE21 GLN A 29 15.594 9.934 -1.971 1.00 0.00 H new ATOM 0 HE22 GLN A 29 16.515 11.024 -3.013 1.00 0.00 H new ATOM 421 N LYS A 30 11.016 8.628 -5.050 1.00 0.00 N ATOM 422 CA LYS A 30 10.023 8.828 -6.099 1.00 0.00 C ATOM 423 C LYS A 30 9.476 10.250 -6.066 1.00 0.00 C ATOM 424 O LYS A 30 9.579 10.988 -7.046 1.00 0.00 O ATOM 425 CB LYS A 30 8.877 7.825 -5.942 1.00 0.00 C ATOM 426 CG LYS A 30 7.920 7.806 -7.121 1.00 0.00 C ATOM 427 CD LYS A 30 8.540 7.129 -8.332 1.00 0.00 C ATOM 428 CE LYS A 30 8.396 5.617 -8.260 1.00 0.00 C ATOM 429 NZ LYS A 30 8.960 4.947 -9.464 1.00 0.00 N ATOM 0 H LYS A 30 10.840 7.821 -4.451 1.00 0.00 H new ATOM 0 HA LYS A 30 10.509 8.667 -7.061 1.00 0.00 H new ATOM 0 HB2 LYS A 30 9.294 6.827 -5.808 1.00 0.00 H new ATOM 0 HB3 LYS A 30 8.319 8.062 -5.036 1.00 0.00 H new ATOM 0 HG2 LYS A 30 7.005 7.284 -6.840 1.00 0.00 H new ATOM 0 HG3 LYS A 30 7.638 8.827 -7.378 1.00 0.00 H new ATOM 0 HD2 LYS A 30 8.063 7.498 -9.240 1.00 0.00 H new ATOM 0 HD3 LYS A 30 9.596 7.392 -8.397 1.00 0.00 H new ATOM 0 HE2 LYS A 30 8.901 5.246 -7.368 1.00 0.00 H new ATOM 0 HE3 LYS A 30 7.342 5.357 -8.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 8.842 3.918 -9.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 8.461 5.281 -10.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 9.972 5.174 -9.546 1.00 0.00 H new ATOM 443 N GLY A 31 8.895 10.631 -4.933 1.00 0.00 N ATOM 444 CA GLY A 31 8.341 11.965 -4.794 1.00 0.00 C ATOM 445 C GLY A 31 6.918 12.059 -5.305 1.00 0.00 C ATOM 446 O GLY A 31 6.179 12.976 -4.946 1.00 0.00 O ATOM 0 H GLY A 31 8.798 10.039 -4.108 1.00 0.00 H new ATOM 0 HA2 GLY A 31 8.367 12.258 -3.744 1.00 0.00 H new ATOM 0 HA3 GLY A 31 8.966 12.673 -5.338 1.00 0.00 H new ATOM 450 N LYS A 32 6.530 11.107 -6.147 1.00 0.00 N ATOM 451 CA LYS A 32 5.185 11.084 -6.709 1.00 0.00 C ATOM 452 C LYS A 32 4.134 11.249 -5.615 1.00 0.00 C ATOM 453 O LYS A 32 3.762 10.282 -4.950 1.00 0.00 O ATOM 454 CB LYS A 32 4.947 9.774 -7.465 1.00 0.00 C ATOM 455 CG LYS A 32 5.419 9.813 -8.909 1.00 0.00 C ATOM 456 CD LYS A 32 4.331 10.325 -9.838 1.00 0.00 C ATOM 457 CE LYS A 32 4.255 11.844 -9.821 1.00 0.00 C ATOM 458 NZ LYS A 32 5.604 12.468 -9.896 1.00 0.00 N ATOM 0 H LYS A 32 7.129 10.341 -6.455 1.00 0.00 H new ATOM 0 HA LYS A 32 5.096 11.919 -7.404 1.00 0.00 H new ATOM 0 HB2 LYS A 32 5.460 8.965 -6.945 1.00 0.00 H new ATOM 0 HB3 LYS A 32 3.882 9.541 -7.445 1.00 0.00 H new ATOM 0 HG2 LYS A 32 6.297 10.453 -8.988 1.00 0.00 H new ATOM 0 HG3 LYS A 32 5.724 8.814 -9.220 1.00 0.00 H new ATOM 0 HD2 LYS A 32 4.526 9.980 -10.854 1.00 0.00 H new ATOM 0 HD3 LYS A 32 3.369 9.908 -9.539 1.00 0.00 H new ATOM 0 HE2 LYS A 32 3.649 12.187 -10.660 1.00 0.00 H new ATOM 0 HE3 LYS A 32 3.753 12.172 -8.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 5.527 13.410 -10.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 5.998 12.559 -8.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 6.231 11.872 -10.473 1.00 0.00 H new ATOM 472 N GLU A 33 3.660 12.478 -5.436 1.00 0.00 N ATOM 473 CA GLU A 33 2.653 12.767 -4.422 1.00 0.00 C ATOM 474 C GLU A 33 1.632 11.635 -4.331 1.00 0.00 C ATOM 475 O GLU A 33 1.245 11.051 -5.342 1.00 0.00 O ATOM 476 CB GLU A 33 1.942 14.084 -4.739 1.00 0.00 C ATOM 477 CG GLU A 33 2.716 15.315 -4.297 1.00 0.00 C ATOM 478 CD GLU A 33 2.385 16.541 -5.125 1.00 0.00 C ATOM 479 OE1 GLU A 33 2.872 16.632 -6.271 1.00 0.00 O ATOM 480 OE2 GLU A 33 1.640 17.410 -4.626 1.00 0.00 O ATOM 0 H GLU A 33 3.957 13.289 -5.979 1.00 0.00 H new ATOM 0 HA GLU A 33 3.158 12.857 -3.460 1.00 0.00 H new ATOM 0 HB2 GLU A 33 1.765 14.142 -5.813 1.00 0.00 H new ATOM 0 HB3 GLU A 33 0.965 14.086 -4.255 1.00 0.00 H new ATOM 0 HG2 GLU A 33 2.498 15.520 -3.249 1.00 0.00 H new ATOM 0 HG3 GLU A 33 3.785 15.112 -4.367 1.00 0.00 H new ATOM 487 N GLY A 34 1.202 11.331 -3.111 1.00 0.00 N ATOM 488 CA GLY A 34 0.232 10.271 -2.909 1.00 0.00 C ATOM 489 C GLY A 34 0.750 8.919 -3.357 1.00 0.00 C ATOM 490 O GLY A 34 -0.030 8.001 -3.610 1.00 0.00 O ATOM 0 H GLY A 34 1.508 11.800 -2.258 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -0.035 10.223 -1.853 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -0.680 10.507 -3.458 1.00 0.00 H new ATOM 494 N ALA A 35 2.068 8.796 -3.457 1.00 0.00 N ATOM 495 CA ALA A 35 2.690 7.545 -3.878 1.00 0.00 C ATOM 496 C ALA A 35 2.315 6.404 -2.939 1.00 0.00 C ATOM 497 O ALA A 35 2.203 6.593 -1.727 1.00 0.00 O ATOM 498 CB ALA A 35 4.201 7.703 -3.944 1.00 0.00 C ATOM 0 H ALA A 35 2.727 9.547 -3.252 1.00 0.00 H new ATOM 0 HA ALA A 35 2.319 7.299 -4.873 1.00 0.00 H new ATOM 0 HB1 ALA A 35 4.652 6.762 -4.259 1.00 0.00 H new ATOM 0 HB2 ALA A 35 4.454 8.485 -4.660 1.00 0.00 H new ATOM 0 HB3 ALA A 35 4.582 7.976 -2.960 1.00 0.00 H new ATOM 504 N PHE A 36 2.122 5.217 -3.505 1.00 0.00 N ATOM 505 CA PHE A 36 1.759 4.045 -2.719 1.00 0.00 C ATOM 506 C PHE A 36 2.477 2.800 -3.233 1.00 0.00 C ATOM 507 O PHE A 36 3.046 2.806 -4.323 1.00 0.00 O ATOM 508 CB PHE A 36 0.245 3.827 -2.758 1.00 0.00 C ATOM 509 CG PHE A 36 -0.216 3.040 -3.952 1.00 0.00 C ATOM 510 CD1 PHE A 36 -0.238 3.615 -5.212 1.00 0.00 C ATOM 511 CD2 PHE A 36 -0.626 1.724 -3.814 1.00 0.00 C ATOM 512 CE1 PHE A 36 -0.662 2.894 -6.311 1.00 0.00 C ATOM 513 CE2 PHE A 36 -1.050 0.996 -4.910 1.00 0.00 C ATOM 514 CZ PHE A 36 -1.068 1.581 -6.161 1.00 0.00 C ATOM 0 H PHE A 36 2.211 5.042 -4.506 1.00 0.00 H new ATOM 0 HA PHE A 36 2.068 4.221 -1.688 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -0.063 3.309 -1.850 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -0.254 4.796 -2.757 1.00 0.00 H new ATOM 0 HD1 PHE A 36 0.080 4.640 -5.337 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -0.614 1.261 -2.838 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -0.676 3.356 -7.287 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -1.367 -0.029 -4.788 1.00 0.00 H new ATOM 0 HZ PHE A 36 -1.398 1.015 -7.019 1.00 0.00 H new ATOM 524 N MET A 37 2.446 1.735 -2.438 1.00 0.00 N ATOM 525 CA MET A 37 3.093 0.483 -2.813 1.00 0.00 C ATOM 526 C MET A 37 2.590 -0.668 -1.948 1.00 0.00 C ATOM 527 O MET A 37 1.847 -0.460 -0.989 1.00 0.00 O ATOM 528 CB MET A 37 4.612 0.610 -2.680 1.00 0.00 C ATOM 529 CG MET A 37 5.097 0.636 -1.240 1.00 0.00 C ATOM 530 SD MET A 37 6.761 -0.032 -1.055 1.00 0.00 S ATOM 531 CE MET A 37 7.643 0.905 -2.300 1.00 0.00 C ATOM 0 H MET A 37 1.980 1.714 -1.531 1.00 0.00 H new ATOM 0 HA MET A 37 2.843 0.270 -3.852 1.00 0.00 H new ATOM 0 HB2 MET A 37 5.085 -0.224 -3.199 1.00 0.00 H new ATOM 0 HB3 MET A 37 4.937 1.522 -3.181 1.00 0.00 H new ATOM 0 HG2 MET A 37 5.079 1.662 -0.873 1.00 0.00 H new ATOM 0 HG3 MET A 37 4.409 0.063 -0.619 1.00 0.00 H new ATOM 0 HE1 MET A 37 8.699 0.956 -2.036 1.00 0.00 H new ATOM 0 HE2 MET A 37 7.534 0.416 -3.268 1.00 0.00 H new ATOM 0 HE3 MET A 37 7.233 1.914 -2.354 1.00 0.00 H new ATOM 541 N VAL A 38 3.001 -1.885 -2.293 1.00 0.00 N ATOM 542 CA VAL A 38 2.593 -3.069 -1.549 1.00 0.00 C ATOM 543 C VAL A 38 3.708 -4.108 -1.515 1.00 0.00 C ATOM 544 O VAL A 38 4.133 -4.612 -2.554 1.00 0.00 O ATOM 545 CB VAL A 38 1.330 -3.708 -2.158 1.00 0.00 C ATOM 546 CG1 VAL A 38 0.868 -4.887 -1.315 1.00 0.00 C ATOM 547 CG2 VAL A 38 0.224 -2.673 -2.294 1.00 0.00 C ATOM 0 H VAL A 38 3.617 -2.075 -3.084 1.00 0.00 H new ATOM 0 HA VAL A 38 2.372 -2.743 -0.533 1.00 0.00 H new ATOM 0 HB VAL A 38 1.575 -4.079 -3.153 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -0.025 -5.325 -1.761 1.00 0.00 H new ATOM 0 HG12 VAL A 38 1.658 -5.637 -1.274 1.00 0.00 H new ATOM 0 HG13 VAL A 38 0.639 -4.545 -0.306 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -0.661 -3.141 -2.726 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.021 -2.271 -1.311 1.00 0.00 H new ATOM 0 HG23 VAL A 38 0.560 -1.864 -2.943 1.00 0.00 H new ATOM 557 N ARG A 39 4.177 -4.426 -0.313 1.00 0.00 N ATOM 558 CA ARG A 39 5.244 -5.405 -0.142 1.00 0.00 C ATOM 559 C ARG A 39 4.701 -6.704 0.447 1.00 0.00 C ATOM 560 O ARG A 39 3.610 -6.731 1.013 1.00 0.00 O ATOM 561 CB ARG A 39 6.342 -4.842 0.762 1.00 0.00 C ATOM 562 CG ARG A 39 5.859 -4.491 2.160 1.00 0.00 C ATOM 563 CD ARG A 39 7.004 -4.022 3.043 1.00 0.00 C ATOM 564 NE ARG A 39 7.947 -5.098 3.335 1.00 0.00 N ATOM 565 CZ ARG A 39 7.704 -6.073 4.204 1.00 0.00 C ATOM 566 NH1 ARG A 39 6.553 -6.106 4.862 1.00 0.00 N ATOM 567 NH2 ARG A 39 8.612 -7.017 4.416 1.00 0.00 N ATOM 0 H ARG A 39 3.835 -4.020 0.558 1.00 0.00 H new ATOM 0 HA ARG A 39 5.666 -5.620 -1.124 1.00 0.00 H new ATOM 0 HB2 ARG A 39 7.148 -5.572 0.838 1.00 0.00 H new ATOM 0 HB3 ARG A 39 6.762 -3.950 0.297 1.00 0.00 H new ATOM 0 HG2 ARG A 39 5.101 -3.710 2.099 1.00 0.00 H new ATOM 0 HG3 ARG A 39 5.383 -5.362 2.611 1.00 0.00 H new ATOM 0 HD2 ARG A 39 7.529 -3.203 2.551 1.00 0.00 H new ATOM 0 HD3 ARG A 39 6.603 -3.628 3.977 1.00 0.00 H new ATOM 0 HE ARG A 39 8.841 -5.101 2.845 1.00 0.00 H new ATOM 0 HH11 ARG A 39 5.853 -5.382 4.701 1.00 0.00 H new ATOM 0 HH12 ARG A 39 6.368 -6.855 5.529 1.00 0.00 H new ATOM 0 HH21 ARG A 39 9.498 -6.995 3.911 1.00 0.00 H new ATOM 0 HH22 ARG A 39 8.424 -7.765 5.084 1.00 0.00 H new ATOM 581 N ASN A 40 5.471 -7.778 0.307 1.00 0.00 N ATOM 582 CA ASN A 40 5.067 -9.081 0.823 1.00 0.00 C ATOM 583 C ASN A 40 5.674 -9.331 2.200 1.00 0.00 C ATOM 584 O ASN A 40 6.798 -8.916 2.480 1.00 0.00 O ATOM 585 CB ASN A 40 5.490 -10.189 -0.142 1.00 0.00 C ATOM 586 CG ASN A 40 4.830 -11.517 0.177 1.00 0.00 C ATOM 587 OD1 ASN A 40 3.947 -11.594 1.031 1.00 0.00 O ATOM 588 ND2 ASN A 40 5.259 -12.570 -0.509 1.00 0.00 N ATOM 0 H ASN A 40 6.378 -7.772 -0.159 1.00 0.00 H new ATOM 0 HA ASN A 40 3.981 -9.087 0.917 1.00 0.00 H new ATOM 0 HB2 ASN A 40 5.237 -9.896 -1.161 1.00 0.00 H new ATOM 0 HB3 ASN A 40 6.573 -10.306 -0.104 1.00 0.00 H new ATOM 0 HD21 ASN A 40 4.854 -13.490 -0.337 1.00 0.00 H new ATOM 0 HD22 ASN A 40 5.994 -12.459 -1.208 1.00 0.00 H new ATOM 595 N SER A 41 4.922 -10.014 3.058 1.00 0.00 N ATOM 596 CA SER A 41 5.383 -10.318 4.406 1.00 0.00 C ATOM 597 C SER A 41 6.447 -11.412 4.383 1.00 0.00 C ATOM 598 O SER A 41 6.867 -11.861 3.318 1.00 0.00 O ATOM 599 CB SER A 41 4.208 -10.752 5.285 1.00 0.00 C ATOM 600 OG SER A 41 4.576 -10.777 6.654 1.00 0.00 O ATOM 0 H SER A 41 3.990 -10.367 2.842 1.00 0.00 H new ATOM 0 HA SER A 41 5.825 -9.414 4.824 1.00 0.00 H new ATOM 0 HB2 SER A 41 3.371 -10.068 5.143 1.00 0.00 H new ATOM 0 HB3 SER A 41 3.867 -11.741 4.979 1.00 0.00 H new ATOM 0 HG SER A 41 3.865 -11.205 7.176 1.00 0.00 H new ATOM 657 N MET A 46 0.529 -13.077 5.410 1.00 0.00 N ATOM 658 CA MET A 46 0.203 -11.681 5.673 1.00 0.00 C ATOM 659 C MET A 46 0.853 -10.766 4.640 1.00 0.00 C ATOM 660 O MET A 46 1.732 -11.189 3.888 1.00 0.00 O ATOM 661 CB MET A 46 0.657 -11.286 7.080 1.00 0.00 C ATOM 662 CG MET A 46 -0.136 -11.961 8.186 1.00 0.00 C ATOM 663 SD MET A 46 -0.027 -11.081 9.756 1.00 0.00 S ATOM 664 CE MET A 46 -1.708 -10.489 9.932 1.00 0.00 C ATOM 0 HA MET A 46 -0.879 -11.567 5.602 1.00 0.00 H new ATOM 0 HB2 MET A 46 1.712 -11.536 7.196 1.00 0.00 H new ATOM 0 HB3 MET A 46 0.571 -10.205 7.190 1.00 0.00 H new ATOM 0 HG2 MET A 46 -1.181 -12.033 7.886 1.00 0.00 H new ATOM 0 HG3 MET A 46 0.228 -12.980 8.319 1.00 0.00 H new ATOM 0 HE1 MET A 46 -1.799 -9.924 10.859 1.00 0.00 H new ATOM 0 HE2 MET A 46 -1.957 -9.845 9.089 1.00 0.00 H new ATOM 0 HE3 MET A 46 -2.392 -11.337 9.955 1.00 0.00 H new ATOM 674 N TYR A 47 0.417 -9.512 4.609 1.00 0.00 N ATOM 675 CA TYR A 47 0.955 -8.539 3.666 1.00 0.00 C ATOM 676 C TYR A 47 1.094 -7.167 4.319 1.00 0.00 C ATOM 677 O TYR A 47 0.741 -6.981 5.484 1.00 0.00 O ATOM 678 CB TYR A 47 0.057 -8.440 2.432 1.00 0.00 C ATOM 679 CG TYR A 47 0.334 -9.504 1.394 1.00 0.00 C ATOM 680 CD1 TYR A 47 -0.241 -10.765 1.491 1.00 0.00 C ATOM 681 CD2 TYR A 47 1.170 -9.246 0.315 1.00 0.00 C ATOM 682 CE1 TYR A 47 0.012 -11.739 0.545 1.00 0.00 C ATOM 683 CE2 TYR A 47 1.427 -10.215 -0.637 1.00 0.00 C ATOM 684 CZ TYR A 47 0.845 -11.459 -0.517 1.00 0.00 C ATOM 685 OH TYR A 47 1.098 -12.427 -1.463 1.00 0.00 O ATOM 0 H TYR A 47 -0.308 -9.145 5.226 1.00 0.00 H new ATOM 0 HA TYR A 47 1.945 -8.878 3.360 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -0.985 -8.512 2.745 1.00 0.00 H new ATOM 0 HB3 TYR A 47 0.186 -7.458 1.977 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -0.897 -10.987 2.320 1.00 0.00 H new ATOM 0 HD2 TYR A 47 1.627 -8.272 0.218 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -0.441 -12.715 0.637 1.00 0.00 H new ATOM 0 HE2 TYR A 47 2.080 -9.999 -1.470 1.00 0.00 H new ATOM 0 HH TYR A 47 0.323 -13.022 -1.538 1.00 0.00 H new ATOM 695 N THR A 48 1.611 -6.206 3.559 1.00 0.00 N ATOM 696 CA THR A 48 1.797 -4.851 4.061 1.00 0.00 C ATOM 697 C THR A 48 1.558 -3.820 2.965 1.00 0.00 C ATOM 698 O THR A 48 1.966 -4.011 1.819 1.00 0.00 O ATOM 699 CB THR A 48 3.214 -4.655 4.633 1.00 0.00 C ATOM 700 OG1 THR A 48 3.468 -5.624 5.656 1.00 0.00 O ATOM 701 CG2 THR A 48 3.378 -3.253 5.204 1.00 0.00 C ATOM 0 H THR A 48 1.908 -6.342 2.593 1.00 0.00 H new ATOM 0 HA THR A 48 1.067 -4.706 4.857 1.00 0.00 H new ATOM 0 HB THR A 48 3.930 -4.787 3.822 1.00 0.00 H new ATOM 0 HG1 THR A 48 4.300 -5.398 6.121 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.386 -3.138 5.602 1.00 0.00 H new ATOM 0 HG22 THR A 48 3.213 -2.518 4.416 1.00 0.00 H new ATOM 0 HG23 THR A 48 2.653 -3.098 6.003 1.00 0.00 H new ATOM 709 N VAL A 49 0.892 -2.726 3.323 1.00 0.00 N ATOM 710 CA VAL A 49 0.599 -1.663 2.369 1.00 0.00 C ATOM 711 C VAL A 49 1.092 -0.315 2.880 1.00 0.00 C ATOM 712 O VAL A 49 0.471 0.296 3.749 1.00 0.00 O ATOM 713 CB VAL A 49 -0.911 -1.570 2.079 1.00 0.00 C ATOM 714 CG1 VAL A 49 -1.188 -0.509 1.024 1.00 0.00 C ATOM 715 CG2 VAL A 49 -1.455 -2.922 1.643 1.00 0.00 C ATOM 0 H VAL A 49 0.545 -2.553 4.267 1.00 0.00 H new ATOM 0 HA VAL A 49 1.124 -1.912 1.446 1.00 0.00 H new ATOM 0 HB VAL A 49 -1.422 -1.278 2.997 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -2.260 -0.458 0.832 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -0.836 0.459 1.381 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -0.667 -0.767 0.102 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -2.523 -2.837 1.443 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.941 -3.247 0.738 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -1.292 -3.653 2.435 1.00 0.00 H new ATOM 725 N SER A 50 2.213 0.145 2.334 1.00 0.00 N ATOM 726 CA SER A 50 2.793 1.421 2.737 1.00 0.00 C ATOM 727 C SER A 50 2.719 2.434 1.600 1.00 0.00 C ATOM 728 O SER A 50 2.992 2.109 0.444 1.00 0.00 O ATOM 729 CB SER A 50 4.246 1.230 3.173 1.00 0.00 C ATOM 730 OG SER A 50 4.356 0.215 4.155 1.00 0.00 O ATOM 0 H SER A 50 2.738 -0.347 1.611 1.00 0.00 H new ATOM 0 HA SER A 50 2.217 1.804 3.579 1.00 0.00 H new ATOM 0 HB2 SER A 50 4.857 0.971 2.308 1.00 0.00 H new ATOM 0 HB3 SER A 50 4.636 2.167 3.570 1.00 0.00 H new ATOM 0 HG SER A 50 5.295 0.112 4.415 1.00 0.00 H new ATOM 736 N LEU A 51 2.350 3.666 1.935 1.00 0.00 N ATOM 737 CA LEU A 51 2.240 4.729 0.942 1.00 0.00 C ATOM 738 C LEU A 51 2.698 6.064 1.522 1.00 0.00 C ATOM 739 O LEU A 51 2.415 6.381 2.677 1.00 0.00 O ATOM 740 CB LEU A 51 0.798 4.844 0.446 1.00 0.00 C ATOM 741 CG LEU A 51 -0.196 5.485 1.415 1.00 0.00 C ATOM 742 CD1 LEU A 51 -0.248 6.991 1.208 1.00 0.00 C ATOM 743 CD2 LEU A 51 -1.579 4.874 1.242 1.00 0.00 C ATOM 0 H LEU A 51 2.122 3.953 2.887 1.00 0.00 H new ATOM 0 HA LEU A 51 2.887 4.476 0.102 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.798 5.422 -0.478 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.440 3.845 0.197 1.00 0.00 H new ATOM 0 HG LEU A 51 0.141 5.290 2.433 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.961 7.430 1.906 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.740 7.417 1.383 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.561 7.207 0.187 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.273 5.342 1.940 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.924 5.038 0.221 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.531 3.803 1.441 1.00 0.00 H new ATOM 755 N PHE A 52 3.406 6.843 0.711 1.00 0.00 N ATOM 756 CA PHE A 52 3.903 8.144 1.142 1.00 0.00 C ATOM 757 C PHE A 52 2.799 9.196 1.078 1.00 0.00 C ATOM 758 O PHE A 52 1.860 9.080 0.290 1.00 0.00 O ATOM 759 CB PHE A 52 5.085 8.577 0.272 1.00 0.00 C ATOM 760 CG PHE A 52 5.394 10.044 0.366 1.00 0.00 C ATOM 761 CD1 PHE A 52 5.995 10.567 1.499 1.00 0.00 C ATOM 762 CD2 PHE A 52 5.081 10.900 -0.678 1.00 0.00 C ATOM 763 CE1 PHE A 52 6.281 11.917 1.589 1.00 0.00 C ATOM 764 CE2 PHE A 52 5.364 12.249 -0.594 1.00 0.00 C ATOM 765 CZ PHE A 52 5.964 12.759 0.542 1.00 0.00 C ATOM 0 H PHE A 52 3.648 6.596 -0.248 1.00 0.00 H new ATOM 0 HA PHE A 52 4.236 8.053 2.176 1.00 0.00 H new ATOM 0 HB2 PHE A 52 5.968 8.009 0.564 1.00 0.00 H new ATOM 0 HB3 PHE A 52 4.873 8.325 -0.767 1.00 0.00 H new ATOM 0 HD1 PHE A 52 6.243 9.913 2.322 1.00 0.00 H new ATOM 0 HD2 PHE A 52 4.610 10.508 -1.567 1.00 0.00 H new ATOM 0 HE1 PHE A 52 6.752 12.312 2.477 1.00 0.00 H new ATOM 0 HE2 PHE A 52 5.117 12.905 -1.415 1.00 0.00 H new ATOM 0 HZ PHE A 52 6.184 13.814 0.610 1.00 0.00 H new ATOM 775 N SER A 53 2.918 10.222 1.916 1.00 0.00 N ATOM 776 CA SER A 53 1.929 11.292 1.959 1.00 0.00 C ATOM 777 C SER A 53 2.412 12.444 2.835 1.00 0.00 C ATOM 778 O SER A 53 3.314 12.279 3.656 1.00 0.00 O ATOM 779 CB SER A 53 0.594 10.761 2.487 1.00 0.00 C ATOM 780 OG SER A 53 -0.402 11.769 2.461 1.00 0.00 O ATOM 0 H SER A 53 3.690 10.334 2.574 1.00 0.00 H new ATOM 0 HA SER A 53 1.789 11.664 0.944 1.00 0.00 H new ATOM 0 HB2 SER A 53 0.273 9.912 1.884 1.00 0.00 H new ATOM 0 HB3 SER A 53 0.721 10.397 3.507 1.00 0.00 H new ATOM 0 HG SER A 53 -1.245 11.404 2.801 1.00 0.00 H new ATOM 786 N LYS A 54 1.805 13.611 2.654 1.00 0.00 N ATOM 787 CA LYS A 54 2.170 14.793 3.427 1.00 0.00 C ATOM 788 C LYS A 54 0.955 15.681 3.671 1.00 0.00 C ATOM 789 O LYS A 54 0.133 15.882 2.778 1.00 0.00 O ATOM 790 CB LYS A 54 3.258 15.586 2.700 1.00 0.00 C ATOM 791 CG LYS A 54 2.712 16.596 1.705 1.00 0.00 C ATOM 792 CD LYS A 54 3.823 17.433 1.093 1.00 0.00 C ATOM 793 CE LYS A 54 4.811 16.570 0.323 1.00 0.00 C ATOM 794 NZ LYS A 54 5.485 17.334 -0.763 1.00 0.00 N ATOM 0 H LYS A 54 1.057 13.765 1.978 1.00 0.00 H new ATOM 0 HA LYS A 54 2.554 14.461 4.392 1.00 0.00 H new ATOM 0 HB2 LYS A 54 3.869 16.108 3.436 1.00 0.00 H new ATOM 0 HB3 LYS A 54 3.914 14.891 2.176 1.00 0.00 H new ATOM 0 HG2 LYS A 54 2.171 16.074 0.915 1.00 0.00 H new ATOM 0 HG3 LYS A 54 1.996 17.249 2.204 1.00 0.00 H new ATOM 0 HD2 LYS A 54 3.392 18.179 0.425 1.00 0.00 H new ATOM 0 HD3 LYS A 54 4.348 17.975 1.880 1.00 0.00 H new ATOM 0 HE2 LYS A 54 5.561 16.176 1.009 1.00 0.00 H new ATOM 0 HE3 LYS A 54 4.289 15.714 -0.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 6.150 16.711 -1.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 4.772 17.689 -1.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 6.004 18.136 -0.352 1.00 0.00 H new ATOM 904 N GLY A 61 6.790 15.732 4.919 1.00 0.00 N ATOM 905 CA GLY A 61 5.748 14.721 4.909 1.00 0.00 C ATOM 906 C GLY A 61 6.029 13.588 5.876 1.00 0.00 C ATOM 907 O GLY A 61 6.773 13.756 6.843 1.00 0.00 O ATOM 0 HA2 GLY A 61 4.795 15.184 5.164 1.00 0.00 H new ATOM 0 HA3 GLY A 61 5.647 14.318 3.901 1.00 0.00 H new ATOM 911 N THR A 62 5.430 12.429 5.618 1.00 0.00 N ATOM 912 CA THR A 62 5.618 11.265 6.474 1.00 0.00 C ATOM 913 C THR A 62 5.118 9.996 5.795 1.00 0.00 C ATOM 914 O THR A 62 4.070 9.997 5.148 1.00 0.00 O ATOM 915 CB THR A 62 4.889 11.435 7.820 1.00 0.00 C ATOM 916 OG1 THR A 62 4.962 12.799 8.249 1.00 0.00 O ATOM 917 CG2 THR A 62 5.496 10.531 8.883 1.00 0.00 C ATOM 0 H THR A 62 4.811 12.272 4.823 1.00 0.00 H new ATOM 0 HA THR A 62 6.689 11.177 6.657 1.00 0.00 H new ATOM 0 HB THR A 62 3.845 11.154 7.680 1.00 0.00 H new ATOM 0 HG1 THR A 62 5.897 13.092 8.251 1.00 0.00 H new ATOM 0 HG21 THR A 62 4.964 10.669 9.825 1.00 0.00 H new ATOM 0 HG22 THR A 62 5.412 9.491 8.568 1.00 0.00 H new ATOM 0 HG23 THR A 62 6.547 10.785 9.019 1.00 0.00 H new ATOM 925 N VAL A 63 5.873 8.913 5.944 1.00 0.00 N ATOM 926 CA VAL A 63 5.506 7.635 5.346 1.00 0.00 C ATOM 927 C VAL A 63 4.640 6.813 6.294 1.00 0.00 C ATOM 928 O VAL A 63 5.002 6.594 7.451 1.00 0.00 O ATOM 929 CB VAL A 63 6.752 6.814 4.964 1.00 0.00 C ATOM 930 CG1 VAL A 63 6.350 5.436 4.461 1.00 0.00 C ATOM 931 CG2 VAL A 63 7.575 7.552 3.919 1.00 0.00 C ATOM 0 H VAL A 63 6.744 8.895 6.475 1.00 0.00 H new ATOM 0 HA VAL A 63 4.939 7.860 4.443 1.00 0.00 H new ATOM 0 HB VAL A 63 7.368 6.684 5.854 1.00 0.00 H new ATOM 0 HG11 VAL A 63 7.243 4.871 4.196 1.00 0.00 H new ATOM 0 HG12 VAL A 63 5.805 4.908 5.243 1.00 0.00 H new ATOM 0 HG13 VAL A 63 5.713 5.541 3.583 1.00 0.00 H new ATOM 0 HG21 VAL A 63 8.452 6.958 3.660 1.00 0.00 H new ATOM 0 HG22 VAL A 63 6.970 7.713 3.027 1.00 0.00 H new ATOM 0 HG23 VAL A 63 7.894 8.514 4.320 1.00 0.00 H new ATOM 941 N LYS A 64 3.495 6.359 5.797 1.00 0.00 N ATOM 942 CA LYS A 64 2.576 5.557 6.598 1.00 0.00 C ATOM 943 C LYS A 64 2.783 4.069 6.339 1.00 0.00 C ATOM 944 O LYS A 64 3.503 3.684 5.416 1.00 0.00 O ATOM 945 CB LYS A 64 1.128 5.944 6.289 1.00 0.00 C ATOM 946 CG LYS A 64 0.652 7.173 7.042 1.00 0.00 C ATOM 947 CD LYS A 64 1.223 8.449 6.446 1.00 0.00 C ATOM 948 CE LYS A 64 0.846 9.669 7.272 1.00 0.00 C ATOM 949 NZ LYS A 64 0.768 10.900 6.438 1.00 0.00 N ATOM 0 H LYS A 64 3.180 6.533 4.842 1.00 0.00 H new ATOM 0 HA LYS A 64 2.782 5.755 7.650 1.00 0.00 H new ATOM 0 HB2 LYS A 64 1.030 6.124 5.218 1.00 0.00 H new ATOM 0 HB3 LYS A 64 0.477 5.105 6.532 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -0.437 7.215 7.019 1.00 0.00 H new ATOM 0 HG3 LYS A 64 0.946 7.096 8.089 1.00 0.00 H new ATOM 0 HD2 LYS A 64 2.309 8.370 6.387 1.00 0.00 H new ATOM 0 HD3 LYS A 64 0.856 8.571 5.427 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -0.115 9.497 7.756 1.00 0.00 H new ATOM 0 HE3 LYS A 64 1.581 9.813 8.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 0.509 11.709 7.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 1.692 11.079 5.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 0.049 10.773 5.698 1.00 0.00 H new ATOM 963 N HIS A 65 2.148 3.236 7.157 1.00 0.00 N ATOM 964 CA HIS A 65 2.262 1.789 7.015 1.00 0.00 C ATOM 965 C HIS A 65 1.005 1.092 7.526 1.00 0.00 C ATOM 966 O HIS A 65 0.547 1.356 8.638 1.00 0.00 O ATOM 967 CB HIS A 65 3.488 1.275 7.770 1.00 0.00 C ATOM 968 CG HIS A 65 3.457 1.577 9.237 1.00 0.00 C ATOM 969 ND1 HIS A 65 3.082 0.651 10.188 1.00 0.00 N ATOM 970 CD2 HIS A 65 3.758 2.709 9.915 1.00 0.00 C ATOM 971 CE1 HIS A 65 3.152 1.201 11.387 1.00 0.00 C ATOM 972 NE2 HIS A 65 3.560 2.449 11.248 1.00 0.00 N ATOM 0 H HIS A 65 1.549 3.538 7.925 1.00 0.00 H new ATOM 0 HA HIS A 65 2.377 1.561 5.955 1.00 0.00 H new ATOM 0 HB2 HIS A 65 3.565 0.197 7.631 1.00 0.00 H new ATOM 0 HB3 HIS A 65 4.384 1.717 7.335 1.00 0.00 H new ATOM 0 HD2 HIS A 65 4.092 3.643 9.487 1.00 0.00 H new ATOM 0 HE1 HIS A 65 2.916 0.713 12.321 1.00 0.00 H new ATOM 0 HE2 HIS A 65 3.705 3.113 12.009 1.00 0.00 H new ATOM 981 N TYR A 66 0.453 0.203 6.708 1.00 0.00 N ATOM 982 CA TYR A 66 -0.753 -0.529 7.077 1.00 0.00 C ATOM 983 C TYR A 66 -0.552 -2.032 6.904 1.00 0.00 C ATOM 984 O TYR A 66 -0.552 -2.546 5.785 1.00 0.00 O ATOM 985 CB TYR A 66 -1.938 -0.062 6.231 1.00 0.00 C ATOM 986 CG TYR A 66 -2.035 1.443 6.104 1.00 0.00 C ATOM 987 CD1 TYR A 66 -2.440 2.224 7.179 1.00 0.00 C ATOM 988 CD2 TYR A 66 -1.723 2.080 4.910 1.00 0.00 C ATOM 989 CE1 TYR A 66 -2.530 3.599 7.068 1.00 0.00 C ATOM 990 CE2 TYR A 66 -1.810 3.453 4.790 1.00 0.00 C ATOM 991 CZ TYR A 66 -2.214 4.209 5.872 1.00 0.00 C ATOM 992 OH TYR A 66 -2.302 5.577 5.756 1.00 0.00 O ATOM 0 H TYR A 66 0.821 -0.028 5.785 1.00 0.00 H new ATOM 0 HA TYR A 66 -0.963 -0.326 8.127 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -1.857 -0.498 5.235 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -2.860 -0.441 6.671 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -2.689 1.749 8.117 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -1.407 1.492 4.061 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -2.846 4.192 7.913 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -1.563 3.933 3.854 1.00 0.00 H new ATOM 0 HH TYR A 66 -2.044 5.846 4.850 1.00 0.00 H new ATOM 1002 N HIS A 67 -0.382 -2.733 8.022 1.00 0.00 N ATOM 1003 CA HIS A 67 -0.181 -4.177 7.995 1.00 0.00 C ATOM 1004 C HIS A 67 -1.448 -4.892 7.539 1.00 0.00 C ATOM 1005 O HIS A 67 -2.420 -4.995 8.288 1.00 0.00 O ATOM 1006 CB HIS A 67 0.234 -4.680 9.378 1.00 0.00 C ATOM 1007 CG HIS A 67 1.394 -3.935 9.964 1.00 0.00 C ATOM 1008 ND1 HIS A 67 2.634 -3.880 9.362 1.00 0.00 N ATOM 1009 CD2 HIS A 67 1.497 -3.211 11.102 1.00 0.00 C ATOM 1010 CE1 HIS A 67 3.450 -3.155 10.106 1.00 0.00 C ATOM 1011 NE2 HIS A 67 2.785 -2.736 11.168 1.00 0.00 N ATOM 0 H HIS A 67 -0.380 -2.324 8.956 1.00 0.00 H new ATOM 0 HA HIS A 67 0.615 -4.396 7.283 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -0.617 -4.601 10.055 1.00 0.00 H new ATOM 0 HB3 HIS A 67 0.489 -5.737 9.309 1.00 0.00 H new ATOM 0 HD2 HIS A 67 0.713 -3.038 11.824 1.00 0.00 H new ATOM 0 HE1 HIS A 67 4.485 -2.941 9.884 1.00 0.00 H new ATOM 0 HE2 HIS A 67 3.165 -2.155 11.915 1.00 0.00 H new ATOM 1020 N VAL A 68 -1.432 -5.388 6.305 1.00 0.00 N ATOM 1021 CA VAL A 68 -2.579 -6.095 5.750 1.00 0.00 C ATOM 1022 C VAL A 68 -3.198 -7.033 6.780 1.00 0.00 C ATOM 1023 O VAL A 68 -2.693 -8.131 7.018 1.00 0.00 O ATOM 1024 CB VAL A 68 -2.187 -6.907 4.501 1.00 0.00 C ATOM 1025 CG1 VAL A 68 -3.314 -7.846 4.099 1.00 0.00 C ATOM 1026 CG2 VAL A 68 -1.822 -5.978 3.354 1.00 0.00 C ATOM 0 H VAL A 68 -0.636 -5.313 5.671 1.00 0.00 H new ATOM 0 HA VAL A 68 -3.311 -5.338 5.467 1.00 0.00 H new ATOM 0 HB VAL A 68 -1.312 -7.510 4.742 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -3.019 -8.411 3.215 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -3.523 -8.535 4.917 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -4.209 -7.265 3.876 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -1.548 -6.569 2.480 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.677 -5.346 3.111 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -0.980 -5.352 3.647 1.00 0.00 H new ATOM 1036 N HIS A 69 -4.295 -6.594 7.388 1.00 0.00 N ATOM 1037 CA HIS A 69 -4.985 -7.396 8.393 1.00 0.00 C ATOM 1038 C HIS A 69 -5.531 -8.682 7.780 1.00 0.00 C ATOM 1039 O HIS A 69 -5.641 -8.804 6.560 1.00 0.00 O ATOM 1040 CB HIS A 69 -6.124 -6.593 9.022 1.00 0.00 C ATOM 1041 CG HIS A 69 -5.666 -5.353 9.725 1.00 0.00 C ATOM 1042 ND1 HIS A 69 -4.468 -5.271 10.403 1.00 0.00 N ATOM 1043 CD2 HIS A 69 -6.252 -4.139 9.851 1.00 0.00 C ATOM 1044 CE1 HIS A 69 -4.338 -4.061 10.917 1.00 0.00 C ATOM 1045 NE2 HIS A 69 -5.407 -3.354 10.596 1.00 0.00 N ATOM 0 H HIS A 69 -4.725 -5.688 7.203 1.00 0.00 H new ATOM 0 HA HIS A 69 -4.266 -7.661 9.168 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -6.836 -6.318 8.244 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -6.656 -7.227 9.731 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -7.207 -3.843 9.442 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -3.500 -3.709 11.501 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -5.577 -2.383 10.859 1.00 0.00 H new ATOM 1054 N THR A 70 -5.871 -9.642 8.635 1.00 0.00 N ATOM 1055 CA THR A 70 -6.403 -10.920 8.180 1.00 0.00 C ATOM 1056 C THR A 70 -7.610 -11.340 9.010 1.00 0.00 C ATOM 1057 O THR A 70 -7.586 -11.271 10.238 1.00 0.00 O ATOM 1058 CB THR A 70 -5.336 -12.028 8.247 1.00 0.00 C ATOM 1059 OG1 THR A 70 -4.060 -11.505 7.862 1.00 0.00 O ATOM 1060 CG2 THR A 70 -5.707 -13.192 7.340 1.00 0.00 C ATOM 0 H THR A 70 -5.787 -9.558 9.648 1.00 0.00 H new ATOM 0 HA THR A 70 -6.709 -10.784 7.143 1.00 0.00 H new ATOM 0 HB THR A 70 -5.284 -12.390 9.274 1.00 0.00 H new ATOM 0 HG1 THR A 70 -3.387 -12.216 7.909 1.00 0.00 H new ATOM 0 HG21 THR A 70 -4.939 -13.962 7.404 1.00 0.00 H new ATOM 0 HG22 THR A 70 -6.664 -13.607 7.654 1.00 0.00 H new ATOM 0 HG23 THR A 70 -5.784 -12.841 6.311 1.00 0.00 H new ATOM 1068 N ASN A 71 -8.666 -11.778 8.330 1.00 0.00 N ATOM 1069 CA ASN A 71 -9.883 -12.209 9.006 1.00 0.00 C ATOM 1070 C ASN A 71 -9.849 -13.710 9.283 1.00 0.00 C ATOM 1071 O ASN A 71 -8.952 -14.415 8.823 1.00 0.00 O ATOM 1072 CB ASN A 71 -11.110 -11.864 8.161 1.00 0.00 C ATOM 1073 CG ASN A 71 -12.355 -11.659 9.003 1.00 0.00 C ATOM 1074 OD1 ASN A 71 -12.311 -11.761 10.230 1.00 0.00 O ATOM 1075 ND2 ASN A 71 -13.472 -11.368 8.348 1.00 0.00 N ATOM 0 H ASN A 71 -8.702 -11.843 7.313 1.00 0.00 H new ATOM 0 HA ASN A 71 -9.946 -11.682 9.958 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -10.910 -10.959 7.588 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -11.289 -12.664 7.442 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -14.340 -11.219 8.862 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -13.462 -11.293 7.331 1.00 0.00 H new ATOM 1082 N ALA A 72 -10.832 -14.190 10.038 1.00 0.00 N ATOM 1083 CA ALA A 72 -10.915 -15.605 10.375 1.00 0.00 C ATOM 1084 C ALA A 72 -10.904 -16.469 9.118 1.00 0.00 C ATOM 1085 O ALA A 72 -10.379 -17.582 9.124 1.00 0.00 O ATOM 1086 CB ALA A 72 -12.166 -15.880 11.195 1.00 0.00 C ATOM 0 H ALA A 72 -11.582 -13.619 10.428 1.00 0.00 H new ATOM 0 HA ALA A 72 -10.040 -15.864 10.971 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -12.215 -16.941 11.439 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -12.133 -15.297 12.115 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -13.048 -15.600 10.619 1.00 0.00 H new ATOM 1092 N GLU A 73 -11.489 -15.950 8.043 1.00 0.00 N ATOM 1093 CA GLU A 73 -11.546 -16.676 6.779 1.00 0.00 C ATOM 1094 C GLU A 73 -10.399 -16.265 5.862 1.00 0.00 C ATOM 1095 O GLU A 73 -10.548 -16.230 4.641 1.00 0.00 O ATOM 1096 CB GLU A 73 -12.886 -16.427 6.084 1.00 0.00 C ATOM 1097 CG GLU A 73 -14.022 -17.276 6.628 1.00 0.00 C ATOM 1098 CD GLU A 73 -15.314 -17.086 5.857 1.00 0.00 C ATOM 1099 OE1 GLU A 73 -15.251 -16.941 4.618 1.00 0.00 O ATOM 1100 OE2 GLU A 73 -16.388 -17.081 6.493 1.00 0.00 O ATOM 0 H GLU A 73 -11.930 -15.030 8.022 1.00 0.00 H new ATOM 0 HA GLU A 73 -11.449 -17.740 6.995 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -13.149 -15.374 6.187 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -12.775 -16.624 5.018 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -13.734 -18.327 6.593 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -14.188 -17.025 7.676 1.00 0.00 H new ATOM 1107 N ASN A 74 -9.254 -15.952 6.460 1.00 0.00 N ATOM 1108 CA ASN A 74 -8.080 -15.540 5.697 1.00 0.00 C ATOM 1109 C ASN A 74 -8.434 -14.428 4.714 1.00 0.00 C ATOM 1110 O ASN A 74 -8.073 -14.484 3.539 1.00 0.00 O ATOM 1111 CB ASN A 74 -7.493 -16.735 4.943 1.00 0.00 C ATOM 1112 CG ASN A 74 -7.007 -17.826 5.877 1.00 0.00 C ATOM 1113 OD1 ASN A 74 -7.639 -18.875 6.005 1.00 0.00 O ATOM 1114 ND2 ASN A 74 -5.880 -17.583 6.534 1.00 0.00 N ATOM 0 H ASN A 74 -9.114 -15.976 7.470 1.00 0.00 H new ATOM 0 HA ASN A 74 -7.336 -15.159 6.397 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -8.248 -17.145 4.272 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -6.664 -16.397 4.321 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -5.504 -18.280 7.177 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -5.390 -16.699 6.396 1.00 0.00 H new ATOM 1121 N LYS A 75 -9.141 -13.415 5.205 1.00 0.00 N ATOM 1122 CA LYS A 75 -9.542 -12.287 4.372 1.00 0.00 C ATOM 1123 C LYS A 75 -8.622 -11.092 4.597 1.00 0.00 C ATOM 1124 O LYS A 75 -8.476 -10.610 5.721 1.00 0.00 O ATOM 1125 CB LYS A 75 -10.990 -11.894 4.673 1.00 0.00 C ATOM 1126 CG LYS A 75 -11.989 -13.008 4.410 1.00 0.00 C ATOM 1127 CD LYS A 75 -13.392 -12.460 4.202 1.00 0.00 C ATOM 1128 CE LYS A 75 -14.451 -13.465 4.629 1.00 0.00 C ATOM 1129 NZ LYS A 75 -15.824 -13.005 4.279 1.00 0.00 N ATOM 0 H LYS A 75 -9.448 -13.352 6.176 1.00 0.00 H new ATOM 0 HA LYS A 75 -9.465 -12.592 3.328 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -11.065 -11.588 5.717 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -11.256 -11.028 4.067 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -11.683 -13.572 3.529 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -11.990 -13.703 5.249 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -13.512 -11.539 4.772 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -13.533 -12.206 3.151 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -14.256 -14.424 4.150 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -14.385 -13.627 5.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -16.517 -13.717 4.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -16.020 -12.102 4.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -15.895 -12.875 3.250 1.00 0.00 H new ATOM 1143 N LEU A 76 -8.006 -10.616 3.521 1.00 0.00 N ATOM 1144 CA LEU A 76 -7.101 -9.473 3.600 1.00 0.00 C ATOM 1145 C LEU A 76 -7.858 -8.164 3.409 1.00 0.00 C ATOM 1146 O LEU A 76 -8.760 -8.072 2.575 1.00 0.00 O ATOM 1147 CB LEU A 76 -5.999 -9.597 2.546 1.00 0.00 C ATOM 1148 CG LEU A 76 -5.286 -10.947 2.476 1.00 0.00 C ATOM 1149 CD1 LEU A 76 -4.641 -11.141 1.112 1.00 0.00 C ATOM 1150 CD2 LEU A 76 -4.245 -11.060 3.581 1.00 0.00 C ATOM 0 H LEU A 76 -8.116 -11.003 2.584 1.00 0.00 H new ATOM 0 HA LEU A 76 -6.649 -9.467 4.592 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -6.434 -9.387 1.569 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -5.254 -8.825 2.736 1.00 0.00 H new ATOM 0 HG LEU A 76 -6.026 -11.734 2.620 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -4.138 -12.108 1.081 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -5.408 -11.106 0.338 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -3.914 -10.348 0.937 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -3.748 -12.028 3.515 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -3.508 -10.265 3.469 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -4.733 -10.968 4.551 1.00 0.00 H new ATOM 1162 N TYR A 77 -7.486 -7.152 4.185 1.00 0.00 N ATOM 1163 CA TYR A 77 -8.131 -5.847 4.102 1.00 0.00 C ATOM 1164 C TYR A 77 -7.389 -4.818 4.949 1.00 0.00 C ATOM 1165 O TYR A 77 -6.591 -5.171 5.818 1.00 0.00 O ATOM 1166 CB TYR A 77 -9.588 -5.945 4.557 1.00 0.00 C ATOM 1167 CG TYR A 77 -9.749 -6.489 5.959 1.00 0.00 C ATOM 1168 CD1 TYR A 77 -9.380 -7.793 6.265 1.00 0.00 C ATOM 1169 CD2 TYR A 77 -10.272 -5.701 6.975 1.00 0.00 C ATOM 1170 CE1 TYR A 77 -9.525 -8.296 7.543 1.00 0.00 C ATOM 1171 CE2 TYR A 77 -10.420 -6.194 8.257 1.00 0.00 C ATOM 1172 CZ TYR A 77 -10.046 -7.492 8.536 1.00 0.00 C ATOM 1173 OH TYR A 77 -10.193 -7.988 9.811 1.00 0.00 O ATOM 0 H TYR A 77 -6.741 -7.210 4.879 1.00 0.00 H new ATOM 0 HA TYR A 77 -8.104 -5.522 3.062 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -10.043 -4.956 4.505 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -10.134 -6.584 3.863 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -8.972 -8.425 5.490 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -10.568 -4.685 6.760 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -9.233 -9.312 7.764 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -10.826 -5.567 9.036 1.00 0.00 H new ATOM 0 HH TYR A 77 -10.572 -7.294 10.390 1.00 0.00 H new ATOM 1183 N LEU A 78 -7.659 -3.543 4.690 1.00 0.00 N ATOM 1184 CA LEU A 78 -7.019 -2.461 5.429 1.00 0.00 C ATOM 1185 C LEU A 78 -8.019 -1.758 6.342 1.00 0.00 C ATOM 1186 O LEU A 78 -7.642 -1.175 7.358 1.00 0.00 O ATOM 1187 CB LEU A 78 -6.401 -1.451 4.459 1.00 0.00 C ATOM 1188 CG LEU A 78 -5.209 -1.950 3.640 1.00 0.00 C ATOM 1189 CD1 LEU A 78 -4.876 -0.966 2.529 1.00 0.00 C ATOM 1190 CD2 LEU A 78 -4.002 -2.174 4.539 1.00 0.00 C ATOM 0 H LEU A 78 -8.316 -3.234 3.974 1.00 0.00 H new ATOM 0 HA LEU A 78 -6.232 -2.893 6.047 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -7.177 -1.118 3.769 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -6.085 -0.577 5.028 1.00 0.00 H new ATOM 0 HG LEU A 78 -5.478 -2.903 3.184 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -4.026 -1.337 1.957 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -5.737 -0.857 1.870 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -4.626 0.002 2.963 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -3.163 -2.529 3.940 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.731 -1.236 5.024 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -4.246 -2.918 5.298 1.00 0.00 H new ATOM 1202 N ALA A 79 -9.294 -1.821 5.974 1.00 0.00 N ATOM 1203 CA ALA A 79 -10.348 -1.197 6.762 1.00 0.00 C ATOM 1204 C ALA A 79 -11.564 -2.110 6.877 1.00 0.00 C ATOM 1205 O ALA A 79 -12.082 -2.597 5.873 1.00 0.00 O ATOM 1206 CB ALA A 79 -10.745 0.139 6.148 1.00 0.00 C ATOM 0 H ALA A 79 -9.622 -2.298 5.134 1.00 0.00 H new ATOM 0 HA ALA A 79 -9.961 -1.024 7.766 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -11.534 0.595 6.747 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -9.879 0.800 6.125 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -11.107 -0.021 5.132 1.00 0.00 H new ATOM 1212 N GLU A 80 -12.013 -2.339 8.107 1.00 0.00 N ATOM 1213 CA GLU A 80 -13.166 -3.196 8.352 1.00 0.00 C ATOM 1214 C GLU A 80 -14.250 -2.961 7.305 1.00 0.00 C ATOM 1215 O GLU A 80 -14.608 -3.866 6.553 1.00 0.00 O ATOM 1216 CB GLU A 80 -13.730 -2.943 9.753 1.00 0.00 C ATOM 1217 CG GLU A 80 -12.762 -3.292 10.870 1.00 0.00 C ATOM 1218 CD GLU A 80 -11.779 -2.173 11.161 1.00 0.00 C ATOM 1219 OE1 GLU A 80 -12.227 -1.019 11.328 1.00 0.00 O ATOM 1220 OE2 GLU A 80 -10.564 -2.452 11.220 1.00 0.00 O ATOM 0 H GLU A 80 -11.595 -1.943 8.949 1.00 0.00 H new ATOM 0 HA GLU A 80 -12.837 -4.233 8.283 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -14.008 -1.893 9.839 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -14.643 -3.526 9.879 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -13.325 -3.521 11.775 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -12.211 -4.193 10.600 1.00 0.00 H new ATOM 1227 N ASN A 81 -14.770 -1.738 7.264 1.00 0.00 N ATOM 1228 CA ASN A 81 -15.815 -1.383 6.310 1.00 0.00 C ATOM 1229 C ASN A 81 -15.607 -2.105 4.983 1.00 0.00 C ATOM 1230 O ASN A 81 -16.569 -2.495 4.319 1.00 0.00 O ATOM 1231 CB ASN A 81 -15.834 0.130 6.083 1.00 0.00 C ATOM 1232 CG ASN A 81 -16.331 0.891 7.297 1.00 0.00 C ATOM 1233 OD1 ASN A 81 -15.574 1.158 8.229 1.00 0.00 O ATOM 1234 ND2 ASN A 81 -17.611 1.244 7.289 1.00 0.00 N ATOM 0 H ASN A 81 -14.485 -0.977 7.880 1.00 0.00 H new ATOM 0 HA ASN A 81 -16.774 -1.693 6.726 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -14.829 0.469 5.831 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -16.471 0.358 5.229 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -18.003 1.758 8.078 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -18.202 1.001 6.494 1.00 0.00 H new ATOM 1241 N TYR A 82 -14.348 -2.280 4.601 1.00 0.00 N ATOM 1242 CA TYR A 82 -14.014 -2.954 3.351 1.00 0.00 C ATOM 1243 C TYR A 82 -13.398 -4.325 3.619 1.00 0.00 C ATOM 1244 O TYR A 82 -12.791 -4.551 4.667 1.00 0.00 O ATOM 1245 CB TYR A 82 -13.047 -2.100 2.529 1.00 0.00 C ATOM 1246 CG TYR A 82 -13.716 -0.949 1.814 1.00 0.00 C ATOM 1247 CD1 TYR A 82 -14.139 0.176 2.511 1.00 0.00 C ATOM 1248 CD2 TYR A 82 -13.922 -0.984 0.440 1.00 0.00 C ATOM 1249 CE1 TYR A 82 -14.751 1.231 1.860 1.00 0.00 C ATOM 1250 CE2 TYR A 82 -14.531 0.066 -0.218 1.00 0.00 C ATOM 1251 CZ TYR A 82 -14.945 1.171 0.496 1.00 0.00 C ATOM 1252 OH TYR A 82 -15.553 2.220 -0.155 1.00 0.00 O ATOM 0 H TYR A 82 -13.541 -1.965 5.139 1.00 0.00 H new ATOM 0 HA TYR A 82 -14.935 -3.094 2.786 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -12.272 -1.707 3.188 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -12.550 -2.734 1.795 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -13.987 0.227 3.579 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -13.600 -1.848 -0.123 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -15.075 2.098 2.417 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -14.682 0.022 -1.286 1.00 0.00 H new ATOM 0 HH TYR A 82 -15.220 3.067 0.208 1.00 0.00 H new ATOM 1262 N CYS A 83 -13.558 -5.234 2.665 1.00 0.00 N ATOM 1263 CA CYS A 83 -13.019 -6.583 2.796 1.00 0.00 C ATOM 1264 C CYS A 83 -12.736 -7.190 1.426 1.00 0.00 C ATOM 1265 O CYS A 83 -13.509 -7.013 0.484 1.00 0.00 O ATOM 1266 CB CYS A 83 -13.993 -7.472 3.570 1.00 0.00 C ATOM 1267 SG CYS A 83 -14.350 -6.891 5.244 1.00 0.00 S ATOM 0 H CYS A 83 -14.057 -5.062 1.792 1.00 0.00 H new ATOM 0 HA CYS A 83 -12.081 -6.521 3.347 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -14.928 -7.540 3.013 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -13.582 -8.480 3.627 1.00 0.00 H new ATOM 0 HG CYS A 83 -13.724 -5.772 5.458 1.00 0.00 H new ATOM 1273 N PHE A 84 -11.621 -7.907 1.321 1.00 0.00 N ATOM 1274 CA PHE A 84 -11.234 -8.539 0.065 1.00 0.00 C ATOM 1275 C PHE A 84 -10.665 -9.933 0.310 1.00 0.00 C ATOM 1276 O PHE A 84 -10.390 -10.311 1.450 1.00 0.00 O ATOM 1277 CB PHE A 84 -10.204 -7.677 -0.668 1.00 0.00 C ATOM 1278 CG PHE A 84 -10.639 -6.253 -0.858 1.00 0.00 C ATOM 1279 CD1 PHE A 84 -10.386 -5.300 0.116 1.00 0.00 C ATOM 1280 CD2 PHE A 84 -11.303 -5.866 -2.011 1.00 0.00 C ATOM 1281 CE1 PHE A 84 -10.786 -3.989 -0.057 1.00 0.00 C ATOM 1282 CE2 PHE A 84 -11.706 -4.555 -2.189 1.00 0.00 C ATOM 1283 CZ PHE A 84 -11.446 -3.616 -1.211 1.00 0.00 C ATOM 0 H PHE A 84 -10.970 -8.064 2.090 1.00 0.00 H new ATOM 0 HA PHE A 84 -12.126 -8.634 -0.555 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -9.268 -7.691 -0.110 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -10.000 -8.119 -1.643 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -9.870 -5.586 1.021 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -11.508 -6.597 -2.780 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -10.583 -3.256 0.710 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -12.223 -4.266 -3.092 1.00 0.00 H new ATOM 0 HZ PHE A 84 -11.758 -2.591 -1.348 1.00 0.00 H new ATOM 1293 N ASP A 85 -10.494 -10.694 -0.766 1.00 0.00 N ATOM 1294 CA ASP A 85 -9.958 -12.046 -0.668 1.00 0.00 C ATOM 1295 C ASP A 85 -8.649 -12.169 -1.442 1.00 0.00 C ATOM 1296 O ASP A 85 -8.121 -13.267 -1.617 1.00 0.00 O ATOM 1297 CB ASP A 85 -10.974 -13.059 -1.197 1.00 0.00 C ATOM 1298 CG ASP A 85 -11.959 -13.501 -0.133 1.00 0.00 C ATOM 1299 OD1 ASP A 85 -11.527 -14.145 0.845 1.00 0.00 O ATOM 1300 OD2 ASP A 85 -13.163 -13.202 -0.277 1.00 0.00 O ATOM 0 H ASP A 85 -10.719 -10.397 -1.716 1.00 0.00 H new ATOM 0 HA ASP A 85 -9.759 -12.257 0.383 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -11.519 -12.620 -2.033 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -10.446 -13.931 -1.584 1.00 0.00 H new ATOM 1305 N SER A 86 -8.131 -11.035 -1.903 1.00 0.00 N ATOM 1306 CA SER A 86 -6.886 -11.015 -2.662 1.00 0.00 C ATOM 1307 C SER A 86 -6.201 -9.658 -2.548 1.00 0.00 C ATOM 1308 O SER A 86 -6.839 -8.653 -2.231 1.00 0.00 O ATOM 1309 CB SER A 86 -7.156 -11.341 -4.133 1.00 0.00 C ATOM 1310 OG SER A 86 -7.075 -12.737 -4.368 1.00 0.00 O ATOM 0 H SER A 86 -8.555 -10.118 -1.764 1.00 0.00 H new ATOM 0 HA SER A 86 -6.223 -11.773 -2.244 1.00 0.00 H new ATOM 0 HB2 SER A 86 -8.145 -10.978 -4.414 1.00 0.00 H new ATOM 0 HB3 SER A 86 -6.435 -10.820 -4.763 1.00 0.00 H new ATOM 0 HG SER A 86 -7.393 -13.221 -3.577 1.00 0.00 H new ATOM 1316 N ILE A 87 -4.898 -9.635 -2.808 1.00 0.00 N ATOM 1317 CA ILE A 87 -4.126 -8.400 -2.737 1.00 0.00 C ATOM 1318 C ILE A 87 -4.527 -7.436 -3.848 1.00 0.00 C ATOM 1319 O ILE A 87 -4.940 -6.303 -3.601 1.00 0.00 O ATOM 1320 CB ILE A 87 -2.614 -8.677 -2.833 1.00 0.00 C ATOM 1321 CG1 ILE A 87 -2.024 -8.891 -1.437 1.00 0.00 C ATOM 1322 CG2 ILE A 87 -1.910 -7.528 -3.540 1.00 0.00 C ATOM 1323 CD1 ILE A 87 -1.886 -7.616 -0.636 1.00 0.00 C ATOM 0 H ILE A 87 -4.355 -10.458 -3.070 1.00 0.00 H new ATOM 0 HA ILE A 87 -4.344 -7.946 -1.770 1.00 0.00 H new ATOM 0 HB ILE A 87 -2.461 -9.586 -3.416 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -2.656 -9.589 -0.888 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -1.044 -9.357 -1.534 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -0.842 -7.738 -3.601 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -2.315 -7.416 -4.546 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -2.068 -6.606 -2.981 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -1.462 -7.845 0.342 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -1.230 -6.924 -1.164 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -2.867 -7.159 -0.508 1.00 0.00 H new ATOM 1335 N PRO A 88 -4.404 -7.894 -5.102 1.00 0.00 N ATOM 1336 CA PRO A 88 -4.751 -7.090 -6.277 1.00 0.00 C ATOM 1337 C PRO A 88 -6.254 -6.863 -6.401 1.00 0.00 C ATOM 1338 O PRO A 88 -6.718 -6.207 -7.334 1.00 0.00 O ATOM 1339 CB PRO A 88 -4.238 -7.931 -7.447 1.00 0.00 C ATOM 1340 CG PRO A 88 -4.236 -9.330 -6.937 1.00 0.00 C ATOM 1341 CD PRO A 88 -3.919 -9.235 -5.471 1.00 0.00 C ATOM 0 HA PRO A 88 -4.316 -6.091 -6.230 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -4.883 -7.829 -8.320 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -3.239 -7.619 -7.750 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -5.204 -9.805 -7.097 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -3.494 -9.935 -7.458 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -4.422 -10.015 -4.900 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -2.851 -9.341 -5.283 1.00 0.00 H new ATOM 1349 N LYS A 89 -7.011 -7.410 -5.457 1.00 0.00 N ATOM 1350 CA LYS A 89 -8.461 -7.267 -5.458 1.00 0.00 C ATOM 1351 C LYS A 89 -8.895 -6.106 -4.570 1.00 0.00 C ATOM 1352 O LYS A 89 -9.994 -5.570 -4.724 1.00 0.00 O ATOM 1353 CB LYS A 89 -9.123 -8.562 -4.982 1.00 0.00 C ATOM 1354 CG LYS A 89 -9.393 -9.554 -6.100 1.00 0.00 C ATOM 1355 CD LYS A 89 -10.635 -10.383 -5.822 1.00 0.00 C ATOM 1356 CE LYS A 89 -11.349 -10.766 -7.110 1.00 0.00 C ATOM 1357 NZ LYS A 89 -12.801 -11.014 -6.886 1.00 0.00 N ATOM 0 H LYS A 89 -6.643 -7.958 -4.679 1.00 0.00 H new ATOM 0 HA LYS A 89 -8.779 -7.058 -6.480 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -8.484 -9.034 -4.236 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -10.064 -8.319 -4.488 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -9.515 -9.018 -7.041 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -8.533 -10.213 -6.218 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -10.357 -11.285 -5.277 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -11.314 -9.820 -5.182 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -11.225 -9.970 -7.844 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -10.888 -11.661 -7.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -13.252 -11.272 -7.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -12.919 -11.790 -6.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -13.246 -10.153 -6.510 1.00 0.00 H new ATOM 1371 N LEU A 90 -8.026 -5.720 -3.642 1.00 0.00 N ATOM 1372 CA LEU A 90 -8.319 -4.620 -2.730 1.00 0.00 C ATOM 1373 C LEU A 90 -7.867 -3.288 -3.320 1.00 0.00 C ATOM 1374 O LEU A 90 -8.626 -2.318 -3.340 1.00 0.00 O ATOM 1375 CB LEU A 90 -7.633 -4.853 -1.383 1.00 0.00 C ATOM 1376 CG LEU A 90 -7.470 -3.622 -0.490 1.00 0.00 C ATOM 1377 CD1 LEU A 90 -7.370 -4.031 0.971 1.00 0.00 C ATOM 1378 CD2 LEU A 90 -6.246 -2.818 -0.906 1.00 0.00 C ATOM 0 H LEU A 90 -7.113 -6.152 -3.501 1.00 0.00 H new ATOM 0 HA LEU A 90 -9.398 -4.582 -2.580 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -8.202 -5.603 -0.833 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -6.645 -5.275 -1.569 1.00 0.00 H new ATOM 0 HG LEU A 90 -8.351 -2.992 -0.610 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -7.254 -3.142 1.591 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -8.276 -4.562 1.263 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -6.508 -4.683 1.108 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -6.146 -1.946 -0.259 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -5.355 -3.439 -0.817 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -6.359 -2.492 -1.940 1.00 0.00 H new ATOM 1390 N ILE A 91 -6.629 -3.249 -3.801 1.00 0.00 N ATOM 1391 CA ILE A 91 -6.079 -2.037 -4.394 1.00 0.00 C ATOM 1392 C ILE A 91 -7.007 -1.481 -5.468 1.00 0.00 C ATOM 1393 O ILE A 91 -7.326 -0.291 -5.474 1.00 0.00 O ATOM 1394 CB ILE A 91 -4.692 -2.292 -5.011 1.00 0.00 C ATOM 1395 CG1 ILE A 91 -3.767 -2.954 -3.987 1.00 0.00 C ATOM 1396 CG2 ILE A 91 -4.088 -0.990 -5.514 1.00 0.00 C ATOM 1397 CD1 ILE A 91 -3.586 -2.144 -2.723 1.00 0.00 C ATOM 0 H ILE A 91 -5.988 -4.043 -3.792 1.00 0.00 H new ATOM 0 HA ILE A 91 -5.981 -1.308 -3.589 1.00 0.00 H new ATOM 0 HB ILE A 91 -4.807 -2.968 -5.859 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -4.168 -3.933 -3.727 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -2.792 -3.121 -4.445 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -3.107 -1.187 -5.947 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -4.739 -0.556 -6.273 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -3.984 -0.292 -4.683 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -2.919 -2.674 -2.044 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -3.155 -1.174 -2.971 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -4.553 -1.999 -2.242 1.00 0.00 H new ATOM 1409 N HIS A 92 -7.439 -2.350 -6.377 1.00 0.00 N ATOM 1410 CA HIS A 92 -8.333 -1.946 -7.456 1.00 0.00 C ATOM 1411 C HIS A 92 -9.334 -0.902 -6.971 1.00 0.00 C ATOM 1412 O HIS A 92 -9.661 0.041 -7.692 1.00 0.00 O ATOM 1413 CB HIS A 92 -9.076 -3.162 -8.013 1.00 0.00 C ATOM 1414 CG HIS A 92 -9.867 -2.865 -9.250 1.00 0.00 C ATOM 1415 ND1 HIS A 92 -11.233 -3.035 -9.327 1.00 0.00 N ATOM 1416 CD2 HIS A 92 -9.476 -2.406 -10.461 1.00 0.00 C ATOM 1417 CE1 HIS A 92 -11.649 -2.694 -10.535 1.00 0.00 C ATOM 1418 NE2 HIS A 92 -10.602 -2.308 -11.242 1.00 0.00 N ATOM 0 H HIS A 92 -7.184 -3.338 -6.388 1.00 0.00 H new ATOM 0 HA HIS A 92 -7.729 -1.504 -8.248 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -8.355 -3.949 -8.233 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -9.747 -3.550 -7.247 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -8.467 -2.162 -10.758 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -12.671 -2.726 -10.884 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -10.626 -1.989 -12.211 1.00 0.00 H new ATOM 1427 N TYR A 93 -9.816 -1.076 -5.746 1.00 0.00 N ATOM 1428 CA TYR A 93 -10.782 -0.152 -5.166 1.00 0.00 C ATOM 1429 C TYR A 93 -10.115 1.169 -4.792 1.00 0.00 C ATOM 1430 O TYR A 93 -10.327 2.192 -5.445 1.00 0.00 O ATOM 1431 CB TYR A 93 -11.437 -0.772 -3.930 1.00 0.00 C ATOM 1432 CG TYR A 93 -12.555 -1.735 -4.258 1.00 0.00 C ATOM 1433 CD1 TYR A 93 -12.359 -2.782 -5.150 1.00 0.00 C ATOM 1434 CD2 TYR A 93 -13.809 -1.598 -3.675 1.00 0.00 C ATOM 1435 CE1 TYR A 93 -13.378 -3.663 -5.453 1.00 0.00 C ATOM 1436 CE2 TYR A 93 -14.834 -2.476 -3.971 1.00 0.00 C ATOM 1437 CZ TYR A 93 -14.613 -3.507 -4.861 1.00 0.00 C ATOM 1438 OH TYR A 93 -15.633 -4.383 -5.159 1.00 0.00 O ATOM 0 H TYR A 93 -9.553 -1.849 -5.135 1.00 0.00 H new ATOM 0 HA TYR A 93 -11.550 0.047 -5.914 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -10.677 -1.295 -3.350 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -11.829 0.025 -3.298 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -11.392 -2.909 -5.615 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -13.985 -0.792 -2.979 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -13.208 -4.470 -6.150 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -15.803 -2.356 -3.508 1.00 0.00 H new ATOM 0 HH TYR A 93 -16.436 -4.133 -4.656 1.00 0.00 H new ATOM 1448 N HIS A 94 -9.307 1.139 -3.737 1.00 0.00 N ATOM 1449 CA HIS A 94 -8.607 2.332 -3.276 1.00 0.00 C ATOM 1450 C HIS A 94 -8.032 3.114 -4.453 1.00 0.00 C ATOM 1451 O HIS A 94 -8.319 4.300 -4.621 1.00 0.00 O ATOM 1452 CB HIS A 94 -7.486 1.949 -2.308 1.00 0.00 C ATOM 1453 CG HIS A 94 -7.967 1.205 -1.100 1.00 0.00 C ATOM 1454 ND1 HIS A 94 -8.139 1.801 0.131 1.00 0.00 N ATOM 1455 CD2 HIS A 94 -8.314 -0.093 -0.940 1.00 0.00 C ATOM 1456 CE1 HIS A 94 -8.569 0.901 0.997 1.00 0.00 C ATOM 1457 NE2 HIS A 94 -8.684 -0.257 0.372 1.00 0.00 N ATOM 0 H HIS A 94 -9.121 0.301 -3.185 1.00 0.00 H new ATOM 0 HA HIS A 94 -9.325 2.966 -2.757 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -6.755 1.336 -2.835 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -6.970 2.854 -1.986 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -8.302 -0.858 -1.702 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -8.789 1.081 2.039 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -8.997 -1.131 0.795 1.00 0.00 H new ATOM 1466 N GLN A 95 -7.221 2.442 -5.265 1.00 0.00 N ATOM 1467 CA GLN A 95 -6.606 3.077 -6.425 1.00 0.00 C ATOM 1468 C GLN A 95 -7.569 4.061 -7.082 1.00 0.00 C ATOM 1469 O GLN A 95 -7.300 5.260 -7.145 1.00 0.00 O ATOM 1470 CB GLN A 95 -6.170 2.018 -7.439 1.00 0.00 C ATOM 1471 CG GLN A 95 -4.977 2.438 -8.281 1.00 0.00 C ATOM 1472 CD GLN A 95 -5.384 3.162 -9.550 1.00 0.00 C ATOM 1473 OE1 GLN A 95 -6.138 4.135 -9.509 1.00 0.00 O ATOM 1474 NE2 GLN A 95 -4.887 2.689 -10.687 1.00 0.00 N ATOM 0 H GLN A 95 -6.975 1.460 -5.141 1.00 0.00 H new ATOM 0 HA GLN A 95 -5.729 3.628 -6.085 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -5.924 1.098 -6.908 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -7.008 1.791 -8.098 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -4.330 3.085 -7.690 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -4.393 1.556 -8.542 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -4.266 1.880 -10.675 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -5.127 3.135 -11.573 1.00 0.00 H new ATOM 1483 N HIS A 96 -8.692 3.544 -7.570 1.00 0.00 N ATOM 1484 CA HIS A 96 -9.696 4.378 -8.222 1.00 0.00 C ATOM 1485 C HIS A 96 -10.125 5.525 -7.313 1.00 0.00 C ATOM 1486 O HIS A 96 -10.301 6.655 -7.764 1.00 0.00 O ATOM 1487 CB HIS A 96 -10.912 3.538 -8.612 1.00 0.00 C ATOM 1488 CG HIS A 96 -10.807 2.927 -9.974 1.00 0.00 C ATOM 1489 ND1 HIS A 96 -10.712 3.674 -11.129 1.00 0.00 N ATOM 1490 CD2 HIS A 96 -10.781 1.631 -10.364 1.00 0.00 C ATOM 1491 CE1 HIS A 96 -10.633 2.864 -12.170 1.00 0.00 C ATOM 1492 NE2 HIS A 96 -10.672 1.618 -11.733 1.00 0.00 N ATOM 0 H HIS A 96 -8.930 2.553 -7.527 1.00 0.00 H new ATOM 0 HA HIS A 96 -9.251 4.800 -9.123 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -11.046 2.745 -7.877 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -11.803 4.164 -8.572 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -10.836 0.767 -9.718 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -10.551 3.169 -13.203 1.00 0.00 H new ATOM 0 HE2 HIS A 96 -10.628 0.783 -12.317 1.00 0.00 H new ATOM 1501 N ASN A 97 -10.291 5.225 -6.028 1.00 0.00 N ATOM 1502 CA ASN A 97 -10.702 6.230 -5.055 1.00 0.00 C ATOM 1503 C ASN A 97 -10.594 5.687 -3.633 1.00 0.00 C ATOM 1504 O ASN A 97 -10.872 4.515 -3.382 1.00 0.00 O ATOM 1505 CB ASN A 97 -12.136 6.683 -5.332 1.00 0.00 C ATOM 1506 CG ASN A 97 -13.137 5.552 -5.194 1.00 0.00 C ATOM 1507 OD1 ASN A 97 -13.912 5.506 -4.239 1.00 0.00 O ATOM 1508 ND2 ASN A 97 -13.124 4.631 -6.151 1.00 0.00 N ATOM 0 H ASN A 97 -10.147 4.294 -5.637 1.00 0.00 H new ATOM 0 HA ASN A 97 -10.034 7.086 -5.150 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -12.400 7.485 -4.642 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -12.195 7.096 -6.339 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -13.774 3.846 -6.112 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -12.464 4.709 -6.925 1.00 0.00 H new ATOM 1515 N SER A 98 -10.188 6.548 -2.706 1.00 0.00 N ATOM 1516 CA SER A 98 -10.039 6.155 -1.309 1.00 0.00 C ATOM 1517 C SER A 98 -11.281 5.414 -0.820 1.00 0.00 C ATOM 1518 O SER A 98 -12.405 5.883 -0.988 1.00 0.00 O ATOM 1519 CB SER A 98 -9.788 7.385 -0.435 1.00 0.00 C ATOM 1520 OG SER A 98 -10.915 8.244 -0.428 1.00 0.00 O ATOM 0 H SER A 98 -9.956 7.523 -2.897 1.00 0.00 H new ATOM 0 HA SER A 98 -9.183 5.485 -1.234 1.00 0.00 H new ATOM 0 HB2 SER A 98 -9.560 7.071 0.584 1.00 0.00 H new ATOM 0 HB3 SER A 98 -8.917 7.926 -0.804 1.00 0.00 H new ATOM 0 HG SER A 98 -11.721 7.728 -0.642 1.00 0.00 H new ATOM 1526 N ALA A 99 -11.065 4.251 -0.212 1.00 0.00 N ATOM 1527 CA ALA A 99 -12.164 3.446 0.305 1.00 0.00 C ATOM 1528 C ALA A 99 -12.704 4.025 1.607 1.00 0.00 C ATOM 1529 O ALA A 99 -13.894 4.317 1.723 1.00 0.00 O ATOM 1530 CB ALA A 99 -11.712 2.007 0.511 1.00 0.00 C ATOM 0 H ALA A 99 -10.140 3.847 -0.066 1.00 0.00 H new ATOM 0 HA ALA A 99 -12.970 3.461 -0.429 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -12.543 1.417 0.898 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -11.382 1.590 -0.440 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -10.887 1.983 1.223 1.00 0.00 H new ATOM 1536 N GLY A 100 -11.822 4.186 2.589 1.00 0.00 N ATOM 1537 CA GLY A 100 -12.230 4.729 3.872 1.00 0.00 C ATOM 1538 C GLY A 100 -11.054 5.001 4.787 1.00 0.00 C ATOM 1539 O GLY A 100 -10.299 4.091 5.127 1.00 0.00 O ATOM 0 H GLY A 100 -10.832 3.950 2.519 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -12.783 5.654 3.712 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -12.911 4.031 4.359 1.00 0.00 H new ATOM 1543 N MET A 101 -10.894 6.259 5.186 1.00 0.00 N ATOM 1544 CA MET A 101 -9.799 6.648 6.067 1.00 0.00 C ATOM 1545 C MET A 101 -8.464 6.140 5.533 1.00 0.00 C ATOM 1546 O MET A 101 -7.550 5.844 6.302 1.00 0.00 O ATOM 1547 CB MET A 101 -10.035 6.108 7.479 1.00 0.00 C ATOM 1548 CG MET A 101 -11.281 6.673 8.145 1.00 0.00 C ATOM 1549 SD MET A 101 -11.471 6.113 9.848 1.00 0.00 S ATOM 1550 CE MET A 101 -10.516 7.353 10.720 1.00 0.00 C ATOM 0 H MET A 101 -11.509 7.026 4.913 1.00 0.00 H new ATOM 0 HA MET A 101 -9.765 7.737 6.103 1.00 0.00 H new ATOM 0 HB2 MET A 101 -10.117 5.022 7.435 1.00 0.00 H new ATOM 0 HB3 MET A 101 -9.167 6.337 8.097 1.00 0.00 H new ATOM 0 HG2 MET A 101 -11.236 7.762 8.127 1.00 0.00 H new ATOM 0 HG3 MET A 101 -12.160 6.381 7.570 1.00 0.00 H new ATOM 0 HE1 MET A 101 -10.538 7.143 11.789 1.00 0.00 H new ATOM 0 HE2 MET A 101 -9.485 7.333 10.367 1.00 0.00 H new ATOM 0 HE3 MET A 101 -10.944 8.338 10.535 1.00 0.00 H new ATOM 1560 N ILE A 102 -8.359 6.043 4.212 1.00 0.00 N ATOM 1561 CA ILE A 102 -7.135 5.571 3.576 1.00 0.00 C ATOM 1562 C ILE A 102 -6.725 6.486 2.427 1.00 0.00 C ATOM 1563 O ILE A 102 -7.438 6.608 1.430 1.00 0.00 O ATOM 1564 CB ILE A 102 -7.295 4.135 3.043 1.00 0.00 C ATOM 1565 CG1 ILE A 102 -7.360 3.140 4.203 1.00 0.00 C ATOM 1566 CG2 ILE A 102 -6.149 3.789 2.104 1.00 0.00 C ATOM 1567 CD1 ILE A 102 -6.000 2.707 4.705 1.00 0.00 C ATOM 0 H ILE A 102 -9.106 6.285 3.561 1.00 0.00 H new ATOM 0 HA ILE A 102 -6.358 5.581 4.340 1.00 0.00 H new ATOM 0 HB ILE A 102 -8.229 4.072 2.484 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -7.916 3.590 5.026 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -7.918 2.259 3.885 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -6.275 2.771 1.735 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -6.146 4.482 1.263 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -5.203 3.866 2.640 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -6.123 2.002 5.527 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -5.449 2.228 3.896 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -5.447 3.579 5.054 1.00 0.00 H new ATOM 1579 N THR A 103 -5.569 7.127 2.572 1.00 0.00 N ATOM 1580 CA THR A 103 -5.062 8.030 1.547 1.00 0.00 C ATOM 1581 C THR A 103 -5.369 7.504 0.149 1.00 0.00 C ATOM 1582 O THR A 103 -5.227 6.311 -0.120 1.00 0.00 O ATOM 1583 CB THR A 103 -3.542 8.237 1.682 1.00 0.00 C ATOM 1584 OG1 THR A 103 -3.237 8.803 2.962 1.00 0.00 O ATOM 1585 CG2 THR A 103 -3.020 9.150 0.581 1.00 0.00 C ATOM 0 H THR A 103 -4.966 7.037 3.390 1.00 0.00 H new ATOM 0 HA THR A 103 -5.566 8.986 1.692 1.00 0.00 H new ATOM 0 HB THR A 103 -3.055 7.266 1.589 1.00 0.00 H new ATOM 0 HG1 THR A 103 -2.269 8.930 3.041 1.00 0.00 H new ATOM 0 HG21 THR A 103 -1.944 9.282 0.697 1.00 0.00 H new ATOM 0 HG22 THR A 103 -3.228 8.703 -0.391 1.00 0.00 H new ATOM 0 HG23 THR A 103 -3.513 10.120 0.648 1.00 0.00 H new ATOM 1593 N ARG A 104 -5.791 8.401 -0.736 1.00 0.00 N ATOM 1594 CA ARG A 104 -6.119 8.026 -2.107 1.00 0.00 C ATOM 1595 C ARG A 104 -4.851 7.792 -2.925 1.00 0.00 C ATOM 1596 O ARG A 104 -4.193 8.741 -3.353 1.00 0.00 O ATOM 1597 CB ARG A 104 -6.971 9.112 -2.765 1.00 0.00 C ATOM 1598 CG ARG A 104 -6.253 10.443 -2.912 1.00 0.00 C ATOM 1599 CD ARG A 104 -7.236 11.589 -3.095 1.00 0.00 C ATOM 1600 NE ARG A 104 -7.566 11.808 -4.500 1.00 0.00 N ATOM 1601 CZ ARG A 104 -8.037 12.957 -4.975 1.00 0.00 C ATOM 1602 NH1 ARG A 104 -8.231 13.984 -4.159 1.00 0.00 N ATOM 1603 NH2 ARG A 104 -8.313 13.079 -6.267 1.00 0.00 N ATOM 0 H ARG A 104 -5.914 9.392 -0.529 1.00 0.00 H new ATOM 0 HA ARG A 104 -6.688 7.097 -2.077 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -7.286 8.768 -3.750 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -7.875 9.260 -2.175 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -5.639 10.626 -2.030 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -5.578 10.401 -3.767 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -8.148 11.377 -2.537 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -6.811 12.501 -2.676 1.00 0.00 H new ATOM 0 HE ARG A 104 -7.428 11.037 -5.153 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -8.019 13.893 -3.165 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -8.592 14.865 -4.525 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -8.164 12.291 -6.897 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -8.674 13.961 -6.630 1.00 0.00 H new ATOM 1617 N LEU A 105 -4.516 6.525 -3.136 1.00 0.00 N ATOM 1618 CA LEU A 105 -3.327 6.166 -3.902 1.00 0.00 C ATOM 1619 C LEU A 105 -3.247 6.973 -5.193 1.00 0.00 C ATOM 1620 O LEU A 105 -4.147 6.913 -6.032 1.00 0.00 O ATOM 1621 CB LEU A 105 -3.336 4.670 -4.223 1.00 0.00 C ATOM 1622 CG LEU A 105 -3.970 3.761 -3.169 1.00 0.00 C ATOM 1623 CD1 LEU A 105 -3.739 2.299 -3.517 1.00 0.00 C ATOM 1624 CD2 LEU A 105 -3.415 4.077 -1.788 1.00 0.00 C ATOM 0 H LEU A 105 -5.050 5.729 -2.788 1.00 0.00 H new ATOM 0 HA LEU A 105 -2.451 6.397 -3.296 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -3.865 4.524 -5.165 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -2.307 4.347 -4.381 1.00 0.00 H new ATOM 0 HG LEU A 105 -5.044 3.945 -3.157 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -4.197 1.667 -2.756 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -4.186 2.081 -4.487 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -2.668 2.100 -3.558 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -3.878 3.421 -1.051 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -2.336 3.922 -1.785 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -3.633 5.115 -1.537 1.00 0.00 H new ATOM 1636 N ARG A 106 -2.164 7.727 -5.347 1.00 0.00 N ATOM 1637 CA ARG A 106 -1.965 8.547 -6.537 1.00 0.00 C ATOM 1638 C ARG A 106 -1.217 7.768 -7.615 1.00 0.00 C ATOM 1639 O ARG A 106 -1.749 7.517 -8.697 1.00 0.00 O ATOM 1640 CB ARG A 106 -1.194 9.819 -6.184 1.00 0.00 C ATOM 1641 CG ARG A 106 -2.088 10.985 -5.792 1.00 0.00 C ATOM 1642 CD ARG A 106 -1.402 12.320 -6.037 1.00 0.00 C ATOM 1643 NE ARG A 106 -0.997 12.480 -7.431 1.00 0.00 N ATOM 1644 CZ ARG A 106 -0.403 13.569 -7.904 1.00 0.00 C ATOM 1645 NH1 ARG A 106 -0.145 14.590 -7.098 1.00 0.00 N ATOM 1646 NH2 ARG A 106 -0.065 13.640 -9.185 1.00 0.00 N ATOM 0 H ARG A 106 -1.410 7.788 -4.663 1.00 0.00 H new ATOM 0 HA ARG A 106 -2.946 8.822 -6.926 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -0.511 9.603 -5.362 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -0.583 10.112 -7.038 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -3.016 10.941 -6.362 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -2.357 10.901 -4.739 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -2.077 13.130 -5.760 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -0.526 12.401 -5.394 1.00 0.00 H new ATOM 0 HE ARG A 106 -1.181 11.712 -8.077 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -0.403 14.540 -6.112 1.00 0.00 H new ATOM 0 HH12 ARG A 106 0.311 15.426 -7.464 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -0.261 12.857 -9.808 1.00 0.00 H new ATOM 0 HH22 ARG A 106 0.391 14.478 -9.546 1.00 0.00 H new ATOM 1660 N HIS A 107 0.021 7.389 -7.313 1.00 0.00 N ATOM 1661 CA HIS A 107 0.843 6.639 -8.256 1.00 0.00 C ATOM 1662 C HIS A 107 1.525 5.462 -7.564 1.00 0.00 C ATOM 1663 O HIS A 107 1.881 5.524 -6.388 1.00 0.00 O ATOM 1664 CB HIS A 107 1.893 7.552 -8.888 1.00 0.00 C ATOM 1665 CG HIS A 107 1.394 8.295 -10.089 1.00 0.00 C ATOM 1666 ND1 HIS A 107 1.712 7.936 -11.382 1.00 0.00 N ATOM 1667 CD2 HIS A 107 0.595 9.383 -10.189 1.00 0.00 C ATOM 1668 CE1 HIS A 107 1.131 8.771 -12.225 1.00 0.00 C ATOM 1669 NE2 HIS A 107 0.446 9.658 -11.526 1.00 0.00 N ATOM 0 H HIS A 107 0.477 7.589 -6.423 1.00 0.00 H new ATOM 0 HA HIS A 107 0.192 6.251 -9.039 1.00 0.00 H new ATOM 0 HB2 HIS A 107 2.235 8.270 -8.142 1.00 0.00 H new ATOM 0 HB3 HIS A 107 2.758 6.954 -9.174 1.00 0.00 H new ATOM 0 HD2 HIS A 107 0.156 9.933 -9.369 1.00 0.00 H new ATOM 0 HE1 HIS A 107 1.204 8.735 -13.302 1.00 0.00 H new ATOM 0 HE2 HIS A 107 -0.104 10.423 -11.916 1.00 0.00 H new ATOM 1678 N PRO A 108 1.711 4.363 -8.311 1.00 0.00 N ATOM 1679 CA PRO A 108 2.352 3.152 -7.790 1.00 0.00 C ATOM 1680 C PRO A 108 3.842 3.349 -7.533 1.00 0.00 C ATOM 1681 O PRO A 108 4.478 4.212 -8.138 1.00 0.00 O ATOM 1682 CB PRO A 108 2.133 2.128 -8.907 1.00 0.00 C ATOM 1683 CG PRO A 108 1.983 2.942 -10.145 1.00 0.00 C ATOM 1684 CD PRO A 108 1.312 4.220 -9.721 1.00 0.00 C ATOM 0 HA PRO A 108 1.936 2.851 -6.829 1.00 0.00 H new ATOM 0 HB2 PRO A 108 2.976 1.441 -8.985 1.00 0.00 H new ATOM 0 HB3 PRO A 108 1.245 1.523 -8.721 1.00 0.00 H new ATOM 0 HG2 PRO A 108 2.953 3.143 -10.600 1.00 0.00 H new ATOM 0 HG3 PRO A 108 1.385 2.415 -10.889 1.00 0.00 H new ATOM 0 HD2 PRO A 108 1.645 5.067 -10.321 1.00 0.00 H new ATOM 0 HD3 PRO A 108 0.229 4.160 -9.828 1.00 0.00 H new ATOM 1692 N VAL A 109 4.394 2.542 -6.631 1.00 0.00 N ATOM 1693 CA VAL A 109 5.810 2.627 -6.295 1.00 0.00 C ATOM 1694 C VAL A 109 6.387 1.248 -5.998 1.00 0.00 C ATOM 1695 O VAL A 109 5.874 0.518 -5.148 1.00 0.00 O ATOM 1696 CB VAL A 109 6.044 3.543 -5.079 1.00 0.00 C ATOM 1697 CG1 VAL A 109 7.510 3.531 -4.677 1.00 0.00 C ATOM 1698 CG2 VAL A 109 5.577 4.959 -5.382 1.00 0.00 C ATOM 0 H VAL A 109 3.882 1.823 -6.121 1.00 0.00 H new ATOM 0 HA VAL A 109 6.317 3.051 -7.162 1.00 0.00 H new ATOM 0 HB VAL A 109 5.459 3.163 -4.241 1.00 0.00 H new ATOM 0 HG11 VAL A 109 7.657 4.184 -3.816 1.00 0.00 H new ATOM 0 HG12 VAL A 109 7.808 2.515 -4.417 1.00 0.00 H new ATOM 0 HG13 VAL A 109 8.118 3.886 -5.509 1.00 0.00 H new ATOM 0 HG21 VAL A 109 5.750 5.593 -4.512 1.00 0.00 H new ATOM 0 HG22 VAL A 109 6.133 5.351 -6.233 1.00 0.00 H new ATOM 0 HG23 VAL A 109 4.513 4.949 -5.618 1.00 0.00 H new ATOM 1708 N SER A 110 7.458 0.897 -6.701 1.00 0.00 N ATOM 1709 CA SER A 110 8.105 -0.397 -6.515 1.00 0.00 C ATOM 1710 C SER A 110 9.262 -0.290 -5.526 1.00 0.00 C ATOM 1711 O SER A 110 10.154 0.542 -5.688 1.00 0.00 O ATOM 1712 CB SER A 110 8.612 -0.935 -7.854 1.00 0.00 C ATOM 1713 OG SER A 110 9.580 -0.068 -8.419 1.00 0.00 O ATOM 0 H SER A 110 7.897 1.490 -7.405 1.00 0.00 H new ATOM 0 HA SER A 110 7.367 -1.089 -6.110 1.00 0.00 H new ATOM 0 HB2 SER A 110 9.045 -1.925 -7.711 1.00 0.00 H new ATOM 0 HB3 SER A 110 7.776 -1.050 -8.543 1.00 0.00 H new ATOM 0 HG SER A 110 10.114 0.336 -7.704 1.00 0.00 H new