USER MOD reduce.3.24.130724 H: found=0, std=0, add=740, rem=0, adj=25 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 30 LYS NZ :NH3+ -136:sc= 0 (180deg=-0.038) USER MOD Set 1.2: A 32 LYS NZ :NH3+ -171:sc= 0.0227 (180deg=0) USER MOD Set 1.3: A 107 HIS : no HD1:sc= 0.0213 X(o=0.044,f=0) USER MOD Set 2.1: A 53 SER OG : rot 6:sc= 0.00155 USER MOD Set 2.2: A 103 THR OG1 : rot -152:sc= 0.428 USER MOD Set 3.1: A 22 GLN : amide:sc= -0.661 X(o=-0.66,f=-0.43) USER MOD Set 3.2: A 25 GLN : amide:sc= 0 X(o=-0.66,f=-0.49) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= -1.39 K(o=-1.4,f=-3!) USER MOD Single : A 19 SER OG : rot 180:sc= -0.0568 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot -80:sc= 0.95 USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 MET CE :methyl -120:sc= -1.6 (180deg=-2.45) USER MOD Single : A 40 ASN : amide:sc= -1.42 K(o=-1.4,f=-8.5!) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot -33:sc= 0.425 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00861) USER MOD Single : A 65 HIS : no HE2:sc= -0.64 K(o=-0.64,f=-1.7) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 69 HIS : no HD1:sc= 0 X(o=0,f=-0.022) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -4.87! C(o=-4.9!,f=-18!) USER MOD Single : A 74 ASN : amide:sc= -0.141 X(o=-0.14,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) USER MOD Single : A 82 TYR OH : rot 165:sc= 0 USER MOD Single : A 83 CYS SG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= -0.0125 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) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 HIS : no HD1:sc= -1.3 K(o=-1.3,f=-0.65) USER MOD Single : A 95 GLN : amide:sc= -0.0165 K(o=-0.017,f=-0.53) USER MOD Single : A 96 HIS : no HD1:sc= -0.44 X(o=-0.44,f=-0.045) USER MOD Single : A 97 ASN : amide:sc= -0.173 X(o=-0.17,f=-0.062) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 101 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 SER OG : rot -15:sc= 1.21 USER MOD ----------------------------------------------------------------- ATOM 66 N LEU A 8 1.820 -11.423 -7.186 1.00 0.00 N ATOM 67 CA LEU A 8 2.364 -10.156 -6.708 1.00 0.00 C ATOM 68 C LEU A 8 3.808 -9.978 -7.165 1.00 0.00 C ATOM 69 O LEU A 8 4.630 -9.404 -6.449 1.00 0.00 O ATOM 70 CB LEU A 8 2.289 -10.089 -5.182 1.00 0.00 C ATOM 71 CG LEU A 8 0.986 -9.541 -4.598 1.00 0.00 C ATOM 72 CD1 LEU A 8 -0.165 -10.499 -4.867 1.00 0.00 C ATOM 73 CD2 LEU A 8 1.134 -9.290 -3.104 1.00 0.00 C ATOM 0 HA LEU A 8 1.765 -9.349 -7.131 1.00 0.00 H new ATOM 0 HB2 LEU A 8 2.448 -11.092 -4.786 1.00 0.00 H new ATOM 0 HB3 LEU A 8 3.112 -9.471 -4.824 1.00 0.00 H new ATOM 0 HG LEU A 8 0.764 -8.592 -5.086 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -1.083 -10.092 -4.444 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -0.287 -10.628 -5.942 1.00 0.00 H new ATOM 0 HD13 LEU A 8 0.050 -11.464 -4.407 1.00 0.00 H new ATOM 0 HD21 LEU A 8 0.197 -8.900 -2.706 1.00 0.00 H new ATOM 0 HD22 LEU A 8 1.381 -10.225 -2.601 1.00 0.00 H new ATOM 0 HD23 LEU A 8 1.930 -8.565 -2.934 1.00 0.00 H new ATOM 85 N ASP A 9 4.110 -10.471 -8.361 1.00 0.00 N ATOM 86 CA ASP A 9 5.455 -10.363 -8.916 1.00 0.00 C ATOM 87 C ASP A 9 5.436 -9.611 -10.242 1.00 0.00 C ATOM 88 O ASP A 9 6.467 -9.121 -10.704 1.00 0.00 O ATOM 89 CB ASP A 9 6.062 -11.753 -9.111 1.00 0.00 C ATOM 90 CG ASP A 9 7.377 -11.709 -9.863 1.00 0.00 C ATOM 91 OD1 ASP A 9 8.344 -11.120 -9.334 1.00 0.00 O ATOM 92 OD2 ASP A 9 7.442 -12.263 -10.981 1.00 0.00 O ATOM 0 H ASP A 9 3.442 -10.949 -8.965 1.00 0.00 H new ATOM 0 HA ASP A 9 6.069 -9.803 -8.211 1.00 0.00 H new ATOM 0 HB2 ASP A 9 6.219 -12.218 -8.138 1.00 0.00 H new ATOM 0 HB3 ASP A 9 5.357 -12.382 -9.655 1.00 0.00 H new ATOM 97 N ASP A 10 4.259 -9.525 -10.851 1.00 0.00 N ATOM 98 CA ASP A 10 4.105 -8.831 -12.126 1.00 0.00 C ATOM 99 C ASP A 10 3.706 -7.375 -11.909 1.00 0.00 C ATOM 100 O ASP A 10 4.049 -6.502 -12.705 1.00 0.00 O ATOM 101 CB ASP A 10 3.061 -9.537 -12.991 1.00 0.00 C ATOM 102 CG ASP A 10 2.965 -8.943 -14.383 1.00 0.00 C ATOM 103 OD1 ASP A 10 2.287 -7.906 -14.540 1.00 0.00 O ATOM 104 OD2 ASP A 10 3.569 -9.515 -15.315 1.00 0.00 O ATOM 0 H ASP A 10 3.397 -9.927 -10.483 1.00 0.00 H new ATOM 0 HA ASP A 10 5.066 -8.851 -12.641 1.00 0.00 H new ATOM 0 HB2 ASP A 10 3.312 -10.595 -13.067 1.00 0.00 H new ATOM 0 HB3 ASP A 10 2.088 -9.474 -12.504 1.00 0.00 H new ATOM 109 N TYR A 11 2.976 -7.123 -10.827 1.00 0.00 N ATOM 110 CA TYR A 11 2.527 -5.773 -10.507 1.00 0.00 C ATOM 111 C TYR A 11 3.714 -4.833 -10.321 1.00 0.00 C ATOM 112 O TYR A 11 4.823 -5.269 -10.016 1.00 0.00 O ATOM 113 CB TYR A 11 1.669 -5.786 -9.240 1.00 0.00 C ATOM 114 CG TYR A 11 0.458 -6.687 -9.338 1.00 0.00 C ATOM 115 CD1 TYR A 11 -0.375 -6.647 -10.449 1.00 0.00 C ATOM 116 CD2 TYR A 11 0.149 -7.580 -8.320 1.00 0.00 C ATOM 117 CE1 TYR A 11 -1.482 -7.467 -10.542 1.00 0.00 C ATOM 118 CE2 TYR A 11 -0.956 -8.405 -8.404 1.00 0.00 C ATOM 119 CZ TYR A 11 -1.768 -8.345 -9.517 1.00 0.00 C ATOM 120 OH TYR A 11 -2.870 -9.165 -9.607 1.00 0.00 O ATOM 0 H TYR A 11 2.683 -7.835 -10.158 1.00 0.00 H new ATOM 0 HA TYR A 11 1.927 -5.410 -11.341 1.00 0.00 H new ATOM 0 HB2 TYR A 11 2.283 -6.107 -8.399 1.00 0.00 H new ATOM 0 HB3 TYR A 11 1.339 -4.770 -9.024 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -0.153 -5.962 -11.254 1.00 0.00 H new ATOM 0 HD2 TYR A 11 0.784 -7.630 -7.448 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -2.120 -7.421 -11.412 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -1.183 -9.093 -7.603 1.00 0.00 H new ATOM 0 HH TYR A 11 -2.929 -9.723 -8.804 1.00 0.00 H new ATOM 130 N ASP A 12 3.470 -3.540 -10.508 1.00 0.00 N ATOM 131 CA ASP A 12 4.517 -2.536 -10.360 1.00 0.00 C ATOM 132 C ASP A 12 4.482 -1.916 -8.966 1.00 0.00 C ATOM 133 O ASP A 12 5.505 -1.461 -8.453 1.00 0.00 O ATOM 134 CB ASP A 12 4.362 -1.446 -11.421 1.00 0.00 C ATOM 135 CG ASP A 12 4.637 -1.957 -12.821 1.00 0.00 C ATOM 136 OD1 ASP A 12 5.711 -2.559 -13.033 1.00 0.00 O ATOM 137 OD2 ASP A 12 3.779 -1.757 -13.705 1.00 0.00 O ATOM 0 H ASP A 12 2.557 -3.163 -10.762 1.00 0.00 H new ATOM 0 HA ASP A 12 5.480 -3.028 -10.495 1.00 0.00 H new ATOM 0 HB2 ASP A 12 3.351 -1.042 -11.377 1.00 0.00 H new ATOM 0 HB3 ASP A 12 5.043 -0.625 -11.197 1.00 0.00 H new ATOM 142 N TRP A 13 3.300 -1.900 -8.362 1.00 0.00 N ATOM 143 CA TRP A 13 3.132 -1.334 -7.028 1.00 0.00 C ATOM 144 C TRP A 13 3.586 -2.319 -5.957 1.00 0.00 C ATOM 145 O TRP A 13 3.401 -2.083 -4.763 1.00 0.00 O ATOM 146 CB TRP A 13 1.670 -0.948 -6.796 1.00 0.00 C ATOM 147 CG TRP A 13 0.698 -1.889 -7.439 1.00 0.00 C ATOM 148 CD1 TRP A 13 0.031 -1.701 -8.616 1.00 0.00 C ATOM 149 CD2 TRP A 13 0.282 -3.165 -6.941 1.00 0.00 C ATOM 150 NE1 TRP A 13 -0.774 -2.783 -8.878 1.00 0.00 N ATOM 151 CE2 TRP A 13 -0.637 -3.696 -7.866 1.00 0.00 C ATOM 152 CE3 TRP A 13 0.599 -3.913 -5.803 1.00 0.00 C ATOM 153 CZ2 TRP A 13 -1.242 -4.937 -7.687 1.00 0.00 C ATOM 154 CZ3 TRP A 13 -0.003 -5.144 -5.627 1.00 0.00 C ATOM 155 CH2 TRP A 13 -0.914 -5.647 -6.565 1.00 0.00 C ATOM 0 H TRP A 13 2.444 -2.272 -8.774 1.00 0.00 H new ATOM 0 HA TRP A 13 3.752 -0.440 -6.959 1.00 0.00 H new ATOM 0 HB2 TRP A 13 1.477 -0.914 -5.724 1.00 0.00 H new ATOM 0 HB3 TRP A 13 1.501 0.057 -7.182 1.00 0.00 H new ATOM 0 HD1 TRP A 13 0.123 -0.830 -9.248 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -1.376 -2.889 -9.694 1.00 0.00 H new ATOM 0 HE3 TRP A 13 1.302 -3.535 -5.075 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -1.945 -5.325 -8.409 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 0.233 -5.729 -4.750 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -1.366 -6.614 -6.399 1.00 0.00 H new ATOM 166 N PHE A 14 4.181 -3.426 -6.391 1.00 0.00 N ATOM 167 CA PHE A 14 4.662 -4.448 -5.469 1.00 0.00 C ATOM 168 C PHE A 14 6.183 -4.405 -5.353 1.00 0.00 C ATOM 169 O PHE A 14 6.898 -4.721 -6.303 1.00 0.00 O ATOM 170 CB PHE A 14 4.215 -5.835 -5.933 1.00 0.00 C ATOM 171 CG PHE A 14 4.890 -6.960 -5.202 1.00 0.00 C ATOM 172 CD1 PHE A 14 6.098 -7.468 -5.651 1.00 0.00 C ATOM 173 CD2 PHE A 14 4.319 -7.507 -4.065 1.00 0.00 C ATOM 174 CE1 PHE A 14 6.722 -8.503 -4.981 1.00 0.00 C ATOM 175 CE2 PHE A 14 4.938 -8.542 -3.391 1.00 0.00 C ATOM 176 CZ PHE A 14 6.142 -9.040 -3.849 1.00 0.00 C ATOM 0 H PHE A 14 4.341 -3.638 -7.376 1.00 0.00 H new ATOM 0 HA PHE A 14 4.234 -4.245 -4.487 1.00 0.00 H new ATOM 0 HB2 PHE A 14 3.137 -5.923 -5.802 1.00 0.00 H new ATOM 0 HB3 PHE A 14 4.415 -5.934 -7.000 1.00 0.00 H new ATOM 0 HD1 PHE A 14 6.557 -7.050 -6.535 1.00 0.00 H new ATOM 0 HD2 PHE A 14 3.379 -7.120 -3.701 1.00 0.00 H new ATOM 0 HE1 PHE A 14 7.663 -8.892 -5.343 1.00 0.00 H new ATOM 0 HE2 PHE A 14 4.481 -8.961 -2.507 1.00 0.00 H new ATOM 0 HZ PHE A 14 6.629 -9.848 -3.323 1.00 0.00 H new ATOM 186 N ALA A 15 6.670 -4.009 -4.180 1.00 0.00 N ATOM 187 CA ALA A 15 8.104 -3.926 -3.939 1.00 0.00 C ATOM 188 C ALA A 15 8.641 -5.230 -3.360 1.00 0.00 C ATOM 189 O ALA A 15 9.432 -5.925 -3.996 1.00 0.00 O ATOM 190 CB ALA A 15 8.416 -2.764 -3.007 1.00 0.00 C ATOM 0 H ALA A 15 6.092 -3.741 -3.384 1.00 0.00 H new ATOM 0 HA ALA A 15 8.598 -3.754 -4.895 1.00 0.00 H new ATOM 0 HB1 ALA A 15 9.491 -2.714 -2.835 1.00 0.00 H new ATOM 0 HB2 ALA A 15 8.077 -1.833 -3.461 1.00 0.00 H new ATOM 0 HB3 ALA A 15 7.904 -2.912 -2.056 1.00 0.00 H new ATOM 196 N GLY A 16 8.205 -5.557 -2.147 1.00 0.00 N ATOM 197 CA GLY A 16 8.653 -6.777 -1.501 1.00 0.00 C ATOM 198 C GLY A 16 10.158 -6.826 -1.334 1.00 0.00 C ATOM 199 O GLY A 16 10.883 -6.047 -1.951 1.00 0.00 O ATOM 0 H GLY A 16 7.549 -4.999 -1.600 1.00 0.00 H new ATOM 0 HA2 GLY A 16 8.179 -6.862 -0.523 1.00 0.00 H new ATOM 0 HA3 GLY A 16 8.328 -7.636 -2.088 1.00 0.00 H new ATOM 203 N ASN A 17 10.629 -7.742 -0.494 1.00 0.00 N ATOM 204 CA ASN A 17 12.059 -7.887 -0.245 1.00 0.00 C ATOM 205 C ASN A 17 12.695 -6.538 0.076 1.00 0.00 C ATOM 206 O ASN A 17 13.809 -6.247 -0.359 1.00 0.00 O ATOM 207 CB ASN A 17 12.749 -8.513 -1.460 1.00 0.00 C ATOM 208 CG ASN A 17 14.161 -8.968 -1.151 1.00 0.00 C ATOM 209 OD1 ASN A 17 14.781 -8.502 -0.195 1.00 0.00 O ATOM 210 ND2 ASN A 17 14.679 -9.883 -1.963 1.00 0.00 N ATOM 0 H ASN A 17 10.042 -8.395 0.025 1.00 0.00 H new ATOM 0 HA ASN A 17 12.188 -8.543 0.616 1.00 0.00 H new ATOM 0 HB2 ASN A 17 12.164 -9.364 -1.808 1.00 0.00 H new ATOM 0 HB3 ASN A 17 12.773 -7.788 -2.274 1.00 0.00 H new ATOM 0 HD21 ASN A 17 15.626 -10.227 -1.806 1.00 0.00 H new ATOM 0 HD22 ASN A 17 14.129 -10.242 -2.744 1.00 0.00 H new ATOM 217 N ILE A 18 11.980 -5.721 0.841 1.00 0.00 N ATOM 218 CA ILE A 18 12.475 -4.404 1.222 1.00 0.00 C ATOM 219 C ILE A 18 12.409 -4.207 2.733 1.00 0.00 C ATOM 220 O ILE A 18 11.659 -4.895 3.426 1.00 0.00 O ATOM 221 CB ILE A 18 11.676 -3.281 0.534 1.00 0.00 C ATOM 222 CG1 ILE A 18 10.281 -3.165 1.153 1.00 0.00 C ATOM 223 CG2 ILE A 18 11.577 -3.541 -0.961 1.00 0.00 C ATOM 224 CD1 ILE A 18 9.324 -2.328 0.334 1.00 0.00 C ATOM 0 H ILE A 18 11.056 -5.947 1.209 1.00 0.00 H new ATOM 0 HA ILE A 18 13.514 -4.352 0.896 1.00 0.00 H new ATOM 0 HB ILE A 18 12.200 -2.337 0.685 1.00 0.00 H new ATOM 0 HG12 ILE A 18 9.863 -4.164 1.276 1.00 0.00 H new ATOM 0 HG13 ILE A 18 10.369 -2.731 2.149 1.00 0.00 H new ATOM 0 HG21 ILE A 18 11.010 -2.739 -1.433 1.00 0.00 H new ATOM 0 HG22 ILE A 18 12.578 -3.579 -1.391 1.00 0.00 H new ATOM 0 HG23 ILE A 18 11.072 -4.492 -1.132 1.00 0.00 H new ATOM 0 HD11 ILE A 18 8.356 -2.290 0.833 1.00 0.00 H new ATOM 0 HD12 ILE A 18 9.720 -1.318 0.232 1.00 0.00 H new ATOM 0 HD13 ILE A 18 9.206 -2.773 -0.654 1.00 0.00 H new ATOM 236 N SER A 19 13.197 -3.263 3.237 1.00 0.00 N ATOM 237 CA SER A 19 13.229 -2.977 4.666 1.00 0.00 C ATOM 238 C SER A 19 12.561 -1.638 4.968 1.00 0.00 C ATOM 239 O SER A 19 12.249 -0.870 4.058 1.00 0.00 O ATOM 240 CB SER A 19 14.673 -2.964 5.172 1.00 0.00 C ATOM 241 OG SER A 19 14.716 -2.947 6.589 1.00 0.00 O ATOM 0 H SER A 19 13.822 -2.683 2.677 1.00 0.00 H new ATOM 0 HA SER A 19 12.677 -3.763 5.181 1.00 0.00 H new ATOM 0 HB2 SER A 19 15.200 -3.842 4.799 1.00 0.00 H new ATOM 0 HB3 SER A 19 15.192 -2.090 4.779 1.00 0.00 H new ATOM 0 HG SER A 19 15.649 -2.941 6.888 1.00 0.00 H new ATOM 247 N ARG A 20 12.344 -1.369 6.251 1.00 0.00 N ATOM 248 CA ARG A 20 11.712 -0.124 6.673 1.00 0.00 C ATOM 249 C ARG A 20 12.416 1.081 6.055 1.00 0.00 C ATOM 250 O ARG A 20 11.787 2.099 5.769 1.00 0.00 O ATOM 251 CB ARG A 20 11.730 -0.011 8.199 1.00 0.00 C ATOM 252 CG ARG A 20 13.096 0.337 8.768 1.00 0.00 C ATOM 253 CD ARG A 20 12.981 0.971 10.145 1.00 0.00 C ATOM 254 NE ARG A 20 13.000 -0.028 11.210 1.00 0.00 N ATOM 255 CZ ARG A 20 13.178 0.268 12.493 1.00 0.00 C ATOM 256 NH1 ARG A 20 13.351 1.528 12.868 1.00 0.00 N ATOM 257 NH2 ARG A 20 13.184 -0.697 13.404 1.00 0.00 N ATOM 0 H ARG A 20 12.596 -1.995 7.016 1.00 0.00 H new ATOM 0 HA ARG A 20 10.678 -0.135 6.327 1.00 0.00 H new ATOM 0 HB2 ARG A 20 11.013 0.750 8.507 1.00 0.00 H new ATOM 0 HB3 ARG A 20 11.397 -0.956 8.629 1.00 0.00 H new ATOM 0 HG2 ARG A 20 13.705 -0.565 8.831 1.00 0.00 H new ATOM 0 HG3 ARG A 20 13.609 1.022 8.093 1.00 0.00 H new ATOM 0 HD2 ARG A 20 13.802 1.672 10.291 1.00 0.00 H new ATOM 0 HD3 ARG A 20 12.057 1.546 10.204 1.00 0.00 H new ATOM 0 HE ARG A 20 12.869 -1.007 10.955 1.00 0.00 H new ATOM 0 HH11 ARG A 20 13.348 2.273 12.171 1.00 0.00 H new ATOM 0 HH12 ARG A 20 13.487 1.753 13.854 1.00 0.00 H new ATOM 0 HH21 ARG A 20 13.052 -1.668 13.120 1.00 0.00 H new ATOM 0 HH22 ARG A 20 13.321 -0.468 14.389 1.00 0.00 H new ATOM 271 N SER A 21 13.724 0.956 5.852 1.00 0.00 N ATOM 272 CA SER A 21 14.514 2.036 5.272 1.00 0.00 C ATOM 273 C SER A 21 14.139 2.258 3.810 1.00 0.00 C ATOM 274 O SER A 21 13.587 3.297 3.451 1.00 0.00 O ATOM 275 CB SER A 21 16.007 1.722 5.386 1.00 0.00 C ATOM 276 OG SER A 21 16.504 2.065 6.668 1.00 0.00 O ATOM 0 H SER A 21 14.259 0.118 6.081 1.00 0.00 H new ATOM 0 HA SER A 21 14.299 2.949 5.827 1.00 0.00 H new ATOM 0 HB2 SER A 21 16.174 0.661 5.200 1.00 0.00 H new ATOM 0 HB3 SER A 21 16.557 2.270 4.621 1.00 0.00 H new ATOM 0 HG SER A 21 17.460 1.853 6.716 1.00 0.00 H new ATOM 282 N GLN A 22 14.444 1.272 2.972 1.00 0.00 N ATOM 283 CA GLN A 22 14.140 1.360 1.548 1.00 0.00 C ATOM 284 C GLN A 22 12.680 1.737 1.326 1.00 0.00 C ATOM 285 O GLN A 22 12.380 2.782 0.748 1.00 0.00 O ATOM 286 CB GLN A 22 14.447 0.030 0.856 1.00 0.00 C ATOM 287 CG GLN A 22 15.899 -0.112 0.428 1.00 0.00 C ATOM 288 CD GLN A 22 16.872 0.253 1.533 1.00 0.00 C ATOM 289 OE1 GLN A 22 17.551 1.277 1.464 1.00 0.00 O ATOM 290 NE2 GLN A 22 16.943 -0.586 2.559 1.00 0.00 N ATOM 0 H GLN A 22 14.901 0.404 3.254 1.00 0.00 H new ATOM 0 HA GLN A 22 14.767 2.139 1.116 1.00 0.00 H new ATOM 0 HB2 GLN A 22 14.194 -0.788 1.531 1.00 0.00 H new ATOM 0 HB3 GLN A 22 13.807 -0.070 -0.021 1.00 0.00 H new ATOM 0 HG2 GLN A 22 16.082 -1.139 0.113 1.00 0.00 H new ATOM 0 HG3 GLN A 22 16.083 0.525 -0.437 1.00 0.00 H new ATOM 0 HE21 GLN A 22 16.361 -1.423 2.574 1.00 0.00 H new ATOM 0 HE22 GLN A 22 17.580 -0.393 3.332 1.00 0.00 H new ATOM 299 N SER A 23 11.775 0.880 1.786 1.00 0.00 N ATOM 300 CA SER A 23 10.345 1.121 1.634 1.00 0.00 C ATOM 301 C SER A 23 10.032 2.611 1.730 1.00 0.00 C ATOM 302 O SER A 23 9.185 3.126 1.003 1.00 0.00 O ATOM 303 CB SER A 23 9.560 0.354 2.699 1.00 0.00 C ATOM 304 OG SER A 23 9.986 0.710 4.003 1.00 0.00 O ATOM 0 H SER A 23 12.007 0.011 2.268 1.00 0.00 H new ATOM 0 HA SER A 23 10.045 0.767 0.648 1.00 0.00 H new ATOM 0 HB2 SER A 23 8.496 0.563 2.591 1.00 0.00 H new ATOM 0 HB3 SER A 23 9.691 -0.718 2.550 1.00 0.00 H new ATOM 0 HG SER A 23 10.813 0.230 4.219 1.00 0.00 H new ATOM 310 N GLU A 24 10.724 3.297 2.635 1.00 0.00 N ATOM 311 CA GLU A 24 10.519 4.728 2.828 1.00 0.00 C ATOM 312 C GLU A 24 11.244 5.531 1.752 1.00 0.00 C ATOM 313 O GLU A 24 10.648 6.384 1.094 1.00 0.00 O ATOM 314 CB GLU A 24 11.009 5.154 4.214 1.00 0.00 C ATOM 315 CG GLU A 24 10.240 4.510 5.356 1.00 0.00 C ATOM 316 CD GLU A 24 10.987 4.576 6.674 1.00 0.00 C ATOM 317 OE1 GLU A 24 12.236 4.551 6.648 1.00 0.00 O ATOM 318 OE2 GLU A 24 10.325 4.653 7.729 1.00 0.00 O ATOM 0 H GLU A 24 11.430 2.885 3.245 1.00 0.00 H new ATOM 0 HA GLU A 24 9.451 4.930 2.750 1.00 0.00 H new ATOM 0 HB2 GLU A 24 12.065 4.901 4.310 1.00 0.00 H new ATOM 0 HB3 GLU A 24 10.931 6.238 4.300 1.00 0.00 H new ATOM 0 HG2 GLU A 24 9.275 5.006 5.464 1.00 0.00 H new ATOM 0 HG3 GLU A 24 10.037 3.468 5.110 1.00 0.00 H new ATOM 325 N GLN A 25 12.532 5.251 1.579 1.00 0.00 N ATOM 326 CA GLN A 25 13.337 5.948 0.585 1.00 0.00 C ATOM 327 C GLN A 25 12.716 5.825 -0.803 1.00 0.00 C ATOM 328 O GLN A 25 12.274 6.816 -1.387 1.00 0.00 O ATOM 329 CB GLN A 25 14.762 5.392 0.570 1.00 0.00 C ATOM 330 CG GLN A 25 15.434 5.403 1.933 1.00 0.00 C ATOM 331 CD GLN A 25 16.941 5.534 1.841 1.00 0.00 C ATOM 332 OE1 GLN A 25 17.626 4.630 1.358 1.00 0.00 O ATOM 333 NE2 GLN A 25 17.469 6.661 2.303 1.00 0.00 N ATOM 0 H GLN A 25 13.039 4.547 2.114 1.00 0.00 H new ATOM 0 HA GLN A 25 13.369 7.003 0.856 1.00 0.00 H new ATOM 0 HB2 GLN A 25 14.740 4.369 0.193 1.00 0.00 H new ATOM 0 HB3 GLN A 25 15.363 5.976 -0.127 1.00 0.00 H new ATOM 0 HG2 GLN A 25 15.037 6.229 2.523 1.00 0.00 H new ATOM 0 HG3 GLN A 25 15.185 4.484 2.464 1.00 0.00 H new ATOM 0 HE21 GLN A 25 16.865 7.384 2.695 1.00 0.00 H new ATOM 0 HE22 GLN A 25 18.478 6.804 2.266 1.00 0.00 H new ATOM 342 N LEU A 26 12.686 4.604 -1.325 1.00 0.00 N ATOM 343 CA LEU A 26 12.119 4.350 -2.645 1.00 0.00 C ATOM 344 C LEU A 26 10.907 5.242 -2.898 1.00 0.00 C ATOM 345 O LEU A 26 10.803 5.884 -3.944 1.00 0.00 O ATOM 346 CB LEU A 26 11.721 2.879 -2.777 1.00 0.00 C ATOM 347 CG LEU A 26 12.753 1.859 -2.296 1.00 0.00 C ATOM 348 CD1 LEU A 26 12.378 0.461 -2.764 1.00 0.00 C ATOM 349 CD2 LEU A 26 14.142 2.234 -2.790 1.00 0.00 C ATOM 0 H LEU A 26 13.048 3.774 -0.855 1.00 0.00 H new ATOM 0 HA LEU A 26 12.880 4.582 -3.391 1.00 0.00 H new ATOM 0 HB2 LEU A 26 10.797 2.722 -2.220 1.00 0.00 H new ATOM 0 HB3 LEU A 26 11.500 2.676 -3.825 1.00 0.00 H new ATOM 0 HG LEU A 26 12.763 1.865 -1.206 1.00 0.00 H new ATOM 0 HD11 LEU A 26 13.123 -0.252 -2.413 1.00 0.00 H new ATOM 0 HD12 LEU A 26 11.401 0.193 -2.362 1.00 0.00 H new ATOM 0 HD13 LEU A 26 12.340 0.440 -3.853 1.00 0.00 H new ATOM 0 HD21 LEU A 26 14.864 1.497 -2.438 1.00 0.00 H new ATOM 0 HD22 LEU A 26 14.147 2.256 -3.880 1.00 0.00 H new ATOM 0 HD23 LEU A 26 14.411 3.218 -2.406 1.00 0.00 H new ATOM 361 N LEU A 27 9.995 5.279 -1.933 1.00 0.00 N ATOM 362 CA LEU A 27 8.791 6.094 -2.049 1.00 0.00 C ATOM 363 C LEU A 27 9.145 7.554 -2.308 1.00 0.00 C ATOM 364 O LEU A 27 8.525 8.216 -3.141 1.00 0.00 O ATOM 365 CB LEU A 27 7.949 5.979 -0.777 1.00 0.00 C ATOM 366 CG LEU A 27 6.975 4.801 -0.721 1.00 0.00 C ATOM 367 CD1 LEU A 27 6.410 4.642 0.682 1.00 0.00 C ATOM 368 CD2 LEU A 27 5.853 4.988 -1.732 1.00 0.00 C ATOM 0 H LEU A 27 10.066 4.754 -1.061 1.00 0.00 H new ATOM 0 HA LEU A 27 8.212 5.724 -2.895 1.00 0.00 H new ATOM 0 HB2 LEU A 27 8.624 5.908 0.076 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.380 6.901 -0.657 1.00 0.00 H new ATOM 0 HG LEU A 27 7.519 3.892 -0.976 1.00 0.00 H new ATOM 0 HD11 LEU A 27 5.719 3.799 0.703 1.00 0.00 H new ATOM 0 HD12 LEU A 27 7.224 4.461 1.384 1.00 0.00 H new ATOM 0 HD13 LEU A 27 5.881 5.552 0.967 1.00 0.00 H new ATOM 0 HD21 LEU A 27 5.170 4.141 -1.678 1.00 0.00 H new ATOM 0 HD22 LEU A 27 5.310 5.906 -1.508 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.274 5.051 -2.735 1.00 0.00 H new ATOM 380 N ARG A 28 10.147 8.052 -1.590 1.00 0.00 N ATOM 381 CA ARG A 28 10.585 9.433 -1.743 1.00 0.00 C ATOM 382 C ARG A 28 11.059 9.699 -3.168 1.00 0.00 C ATOM 383 O ARG A 28 10.715 10.717 -3.768 1.00 0.00 O ATOM 384 CB ARG A 28 11.707 9.748 -0.752 1.00 0.00 C ATOM 385 CG ARG A 28 11.421 9.276 0.663 1.00 0.00 C ATOM 386 CD ARG A 28 12.127 10.144 1.694 1.00 0.00 C ATOM 387 NE ARG A 28 13.553 9.841 1.779 1.00 0.00 N ATOM 388 CZ ARG A 28 14.377 10.424 2.642 1.00 0.00 C ATOM 389 NH1 ARG A 28 13.919 11.334 3.491 1.00 0.00 N ATOM 390 NH2 ARG A 28 15.663 10.094 2.660 1.00 0.00 N ATOM 0 H ARG A 28 10.671 7.518 -0.896 1.00 0.00 H new ATOM 0 HA ARG A 28 9.734 10.082 -1.535 1.00 0.00 H new ATOM 0 HB2 ARG A 28 12.629 9.284 -1.101 1.00 0.00 H new ATOM 0 HB3 ARG A 28 11.877 10.825 -0.739 1.00 0.00 H new ATOM 0 HG2 ARG A 28 10.346 9.296 0.844 1.00 0.00 H new ATOM 0 HG3 ARG A 28 11.744 8.241 0.775 1.00 0.00 H new ATOM 0 HD2 ARG A 28 11.994 11.195 1.436 1.00 0.00 H new ATOM 0 HD3 ARG A 28 11.666 9.995 2.670 1.00 0.00 H new ATOM 0 HE ARG A 28 13.937 9.144 1.141 1.00 0.00 H new ATOM 0 HH11 ARG A 28 12.931 11.588 3.482 1.00 0.00 H new ATOM 0 HH12 ARG A 28 14.555 11.780 4.153 1.00 0.00 H new ATOM 0 HH21 ARG A 28 16.019 9.392 2.011 1.00 0.00 H new ATOM 0 HH22 ARG A 28 16.295 10.542 3.323 1.00 0.00 H new ATOM 404 N GLN A 29 11.853 8.776 -3.704 1.00 0.00 N ATOM 405 CA GLN A 29 12.375 8.912 -5.058 1.00 0.00 C ATOM 406 C GLN A 29 11.311 9.466 -6.000 1.00 0.00 C ATOM 407 O GLN A 29 11.556 10.418 -6.740 1.00 0.00 O ATOM 408 CB GLN A 29 12.875 7.561 -5.572 1.00 0.00 C ATOM 409 CG GLN A 29 14.043 7.672 -6.539 1.00 0.00 C ATOM 410 CD GLN A 29 13.597 7.775 -7.984 1.00 0.00 C ATOM 411 OE1 GLN A 29 13.353 6.765 -8.645 1.00 0.00 O ATOM 412 NE2 GLN A 29 13.489 9.000 -8.484 1.00 0.00 N ATOM 0 H GLN A 29 12.148 7.927 -3.221 1.00 0.00 H new ATOM 0 HA GLN A 29 13.209 9.614 -5.030 1.00 0.00 H new ATOM 0 HB2 GLN A 29 13.174 6.947 -4.723 1.00 0.00 H new ATOM 0 HB3 GLN A 29 12.053 7.043 -6.066 1.00 0.00 H new ATOM 0 HG2 GLN A 29 14.639 8.548 -6.284 1.00 0.00 H new ATOM 0 HG3 GLN A 29 14.689 6.802 -6.423 1.00 0.00 H new ATOM 0 HE21 GLN A 29 13.701 9.809 -7.901 1.00 0.00 H new ATOM 0 HE22 GLN A 29 13.194 9.132 -9.451 1.00 0.00 H new ATOM 421 N LYS A 30 10.127 8.864 -5.966 1.00 0.00 N ATOM 422 CA LYS A 30 9.024 9.296 -6.816 1.00 0.00 C ATOM 423 C LYS A 30 8.914 10.818 -6.833 1.00 0.00 C ATOM 424 O LYS A 30 9.097 11.451 -7.871 1.00 0.00 O ATOM 425 CB LYS A 30 7.708 8.685 -6.329 1.00 0.00 C ATOM 426 CG LYS A 30 6.623 8.650 -7.391 1.00 0.00 C ATOM 427 CD LYS A 30 6.897 7.578 -8.432 1.00 0.00 C ATOM 428 CE LYS A 30 5.634 7.204 -9.193 1.00 0.00 C ATOM 429 NZ LYS A 30 5.414 8.087 -10.372 1.00 0.00 N ATOM 0 H LYS A 30 9.907 8.075 -5.358 1.00 0.00 H new ATOM 0 HA LYS A 30 9.224 8.952 -7.831 1.00 0.00 H new ATOM 0 HB2 LYS A 30 7.896 7.670 -5.980 1.00 0.00 H new ATOM 0 HB3 LYS A 30 7.348 9.255 -5.472 1.00 0.00 H new ATOM 0 HG2 LYS A 30 5.658 8.463 -6.920 1.00 0.00 H new ATOM 0 HG3 LYS A 30 6.557 9.623 -7.878 1.00 0.00 H new ATOM 0 HD2 LYS A 30 7.653 7.934 -9.132 1.00 0.00 H new ATOM 0 HD3 LYS A 30 7.305 6.692 -7.945 1.00 0.00 H new ATOM 0 HE2 LYS A 30 5.703 6.168 -9.523 1.00 0.00 H new ATOM 0 HE3 LYS A 30 4.775 7.269 -8.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 4.413 8.366 -10.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 6.007 8.937 -10.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 5.668 7.575 -11.241 1.00 0.00 H new ATOM 443 N GLY A 31 8.615 11.397 -5.674 1.00 0.00 N ATOM 444 CA GLY A 31 8.488 12.840 -5.578 1.00 0.00 C ATOM 445 C GLY A 31 7.058 13.309 -5.764 1.00 0.00 C ATOM 446 O GLY A 31 6.816 14.396 -6.290 1.00 0.00 O ATOM 0 H GLY A 31 8.459 10.893 -4.801 1.00 0.00 H new ATOM 0 HA2 GLY A 31 8.852 13.170 -4.605 1.00 0.00 H new ATOM 0 HA3 GLY A 31 9.122 13.309 -6.331 1.00 0.00 H new ATOM 450 N LYS A 32 6.107 12.488 -5.334 1.00 0.00 N ATOM 451 CA LYS A 32 4.692 12.824 -5.456 1.00 0.00 C ATOM 452 C LYS A 32 3.916 12.363 -4.226 1.00 0.00 C ATOM 453 O LYS A 32 3.799 11.165 -3.968 1.00 0.00 O ATOM 454 CB LYS A 32 4.102 12.184 -6.714 1.00 0.00 C ATOM 455 CG LYS A 32 4.216 13.058 -7.951 1.00 0.00 C ATOM 456 CD LYS A 32 3.361 12.527 -9.089 1.00 0.00 C ATOM 457 CE LYS A 32 4.032 11.357 -9.791 1.00 0.00 C ATOM 458 NZ LYS A 32 3.578 11.222 -11.203 1.00 0.00 N ATOM 0 H LYS A 32 6.289 11.584 -4.897 1.00 0.00 H new ATOM 0 HA LYS A 32 4.606 13.908 -5.533 1.00 0.00 H new ATOM 0 HB2 LYS A 32 4.607 11.237 -6.901 1.00 0.00 H new ATOM 0 HB3 LYS A 32 3.051 11.955 -6.537 1.00 0.00 H new ATOM 0 HG2 LYS A 32 3.909 14.075 -7.708 1.00 0.00 H new ATOM 0 HG3 LYS A 32 5.257 13.106 -8.269 1.00 0.00 H new ATOM 0 HD2 LYS A 32 2.392 12.213 -8.701 1.00 0.00 H new ATOM 0 HD3 LYS A 32 3.174 13.325 -9.808 1.00 0.00 H new ATOM 0 HE2 LYS A 32 5.113 11.492 -9.769 1.00 0.00 H new ATOM 0 HE3 LYS A 32 3.815 10.436 -9.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 3.938 10.330 -11.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 2.538 11.221 -11.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 3.940 12.021 -11.762 1.00 0.00 H new ATOM 472 N GLU A 33 3.388 13.321 -3.472 1.00 0.00 N ATOM 473 CA GLU A 33 2.622 13.013 -2.269 1.00 0.00 C ATOM 474 C GLU A 33 1.424 12.127 -2.601 1.00 0.00 C ATOM 475 O GLU A 33 0.303 12.611 -2.749 1.00 0.00 O ATOM 476 CB GLU A 33 2.147 14.301 -1.595 1.00 0.00 C ATOM 477 CG GLU A 33 3.267 15.104 -0.958 1.00 0.00 C ATOM 478 CD GLU A 33 4.143 15.799 -1.982 1.00 0.00 C ATOM 479 OE1 GLU A 33 3.683 15.983 -3.129 1.00 0.00 O ATOM 480 OE2 GLU A 33 5.289 16.158 -1.640 1.00 0.00 O ATOM 0 H GLU A 33 3.476 14.317 -3.672 1.00 0.00 H new ATOM 0 HA GLU A 33 3.274 12.473 -1.582 1.00 0.00 H new ATOM 0 HB2 GLU A 33 1.641 14.922 -2.334 1.00 0.00 H new ATOM 0 HB3 GLU A 33 1.411 14.051 -0.831 1.00 0.00 H new ATOM 0 HG2 GLU A 33 2.839 15.849 -0.287 1.00 0.00 H new ATOM 0 HG3 GLU A 33 3.882 14.442 -0.349 1.00 0.00 H new ATOM 487 N GLY A 34 1.671 10.825 -2.715 1.00 0.00 N ATOM 488 CA GLY A 34 0.605 9.893 -3.028 1.00 0.00 C ATOM 489 C GLY A 34 1.127 8.520 -3.405 1.00 0.00 C ATOM 490 O GLY A 34 0.427 7.520 -3.254 1.00 0.00 O ATOM 0 H GLY A 34 2.591 10.400 -2.596 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -0.058 9.802 -2.168 1.00 0.00 H new ATOM 0 HA3 GLY A 34 0.009 10.290 -3.850 1.00 0.00 H new ATOM 494 N ALA A 35 2.360 8.473 -3.898 1.00 0.00 N ATOM 495 CA ALA A 35 2.975 7.213 -4.296 1.00 0.00 C ATOM 496 C ALA A 35 2.665 6.108 -3.293 1.00 0.00 C ATOM 497 O ALA A 35 2.610 6.349 -2.086 1.00 0.00 O ATOM 498 CB ALA A 35 4.480 7.384 -4.446 1.00 0.00 C ATOM 0 H ALA A 35 2.952 9.293 -4.031 1.00 0.00 H new ATOM 0 HA ALA A 35 2.555 6.922 -5.259 1.00 0.00 H new ATOM 0 HB1 ALA A 35 4.926 6.435 -4.744 1.00 0.00 H new ATOM 0 HB2 ALA A 35 4.687 8.137 -5.207 1.00 0.00 H new ATOM 0 HB3 ALA A 35 4.907 7.703 -3.495 1.00 0.00 H new ATOM 504 N PHE A 36 2.460 4.896 -3.798 1.00 0.00 N ATOM 505 CA PHE A 36 2.153 3.753 -2.945 1.00 0.00 C ATOM 506 C PHE A 36 2.911 2.512 -3.405 1.00 0.00 C ATOM 507 O PHE A 36 3.414 2.459 -4.527 1.00 0.00 O ATOM 508 CB PHE A 36 0.648 3.477 -2.950 1.00 0.00 C ATOM 509 CG PHE A 36 0.193 2.659 -4.125 1.00 0.00 C ATOM 510 CD1 PHE A 36 0.120 3.221 -5.390 1.00 0.00 C ATOM 511 CD2 PHE A 36 -0.162 1.330 -3.965 1.00 0.00 C ATOM 512 CE1 PHE A 36 -0.299 2.470 -6.472 1.00 0.00 C ATOM 513 CE2 PHE A 36 -0.582 0.575 -5.043 1.00 0.00 C ATOM 514 CZ PHE A 36 -0.650 1.145 -6.299 1.00 0.00 C ATOM 0 H PHE A 36 2.501 4.680 -4.794 1.00 0.00 H new ATOM 0 HA PHE A 36 2.468 3.993 -1.930 1.00 0.00 H new ATOM 0 HB2 PHE A 36 0.379 2.958 -2.030 1.00 0.00 H new ATOM 0 HB3 PHE A 36 0.112 4.426 -2.949 1.00 0.00 H new ATOM 0 HD1 PHE A 36 0.393 4.256 -5.532 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -0.110 0.878 -2.985 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -0.352 2.919 -7.453 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -0.857 -0.460 -4.904 1.00 0.00 H new ATOM 0 HZ PHE A 36 -0.977 0.557 -7.144 1.00 0.00 H new ATOM 524 N MET A 37 2.989 1.516 -2.529 1.00 0.00 N ATOM 525 CA MET A 37 3.686 0.274 -2.845 1.00 0.00 C ATOM 526 C MET A 37 3.164 -0.875 -1.988 1.00 0.00 C ATOM 527 O MET A 37 2.218 -0.709 -1.218 1.00 0.00 O ATOM 528 CB MET A 37 5.191 0.441 -2.632 1.00 0.00 C ATOM 529 CG MET A 37 5.646 0.116 -1.219 1.00 0.00 C ATOM 530 SD MET A 37 7.117 1.038 -0.733 1.00 0.00 S ATOM 531 CE MET A 37 8.150 0.815 -2.180 1.00 0.00 C ATOM 0 H MET A 37 2.579 1.544 -1.596 1.00 0.00 H new ATOM 0 HA MET A 37 3.499 0.037 -3.892 1.00 0.00 H new ATOM 0 HB2 MET A 37 5.722 -0.203 -3.333 1.00 0.00 H new ATOM 0 HB3 MET A 37 5.471 1.468 -2.868 1.00 0.00 H new ATOM 0 HG2 MET A 37 4.838 0.336 -0.522 1.00 0.00 H new ATOM 0 HG3 MET A 37 5.850 -0.952 -1.144 1.00 0.00 H new ATOM 0 HE1 MET A 37 9.073 0.312 -1.894 1.00 0.00 H new ATOM 0 HE2 MET A 37 7.620 0.210 -2.916 1.00 0.00 H new ATOM 0 HE3 MET A 37 8.386 1.788 -2.612 1.00 0.00 H new ATOM 541 N VAL A 38 3.787 -2.041 -2.126 1.00 0.00 N ATOM 542 CA VAL A 38 3.386 -3.217 -1.364 1.00 0.00 C ATOM 543 C VAL A 38 4.587 -4.099 -1.041 1.00 0.00 C ATOM 544 O VAL A 38 5.378 -4.434 -1.923 1.00 0.00 O ATOM 545 CB VAL A 38 2.341 -4.051 -2.128 1.00 0.00 C ATOM 546 CG1 VAL A 38 1.964 -5.293 -1.334 1.00 0.00 C ATOM 547 CG2 VAL A 38 1.110 -3.212 -2.436 1.00 0.00 C ATOM 0 H VAL A 38 4.572 -2.196 -2.759 1.00 0.00 H new ATOM 0 HA VAL A 38 2.944 -2.857 -0.435 1.00 0.00 H new ATOM 0 HB VAL A 38 2.779 -4.372 -3.073 1.00 0.00 H new ATOM 0 HG11 VAL A 38 1.225 -5.870 -1.890 1.00 0.00 H new ATOM 0 HG12 VAL A 38 2.852 -5.904 -1.170 1.00 0.00 H new ATOM 0 HG13 VAL A 38 1.545 -4.997 -0.372 1.00 0.00 H new ATOM 0 HG21 VAL A 38 0.383 -3.818 -2.976 1.00 0.00 H new ATOM 0 HG22 VAL A 38 0.668 -2.859 -1.504 1.00 0.00 H new ATOM 0 HG23 VAL A 38 1.396 -2.357 -3.049 1.00 0.00 H new ATOM 557 N ARG A 39 4.716 -4.473 0.228 1.00 0.00 N ATOM 558 CA ARG A 39 5.822 -5.316 0.667 1.00 0.00 C ATOM 559 C ARG A 39 5.322 -6.441 1.569 1.00 0.00 C ATOM 560 O ARG A 39 4.157 -6.461 1.966 1.00 0.00 O ATOM 561 CB ARG A 39 6.865 -4.479 1.409 1.00 0.00 C ATOM 562 CG ARG A 39 6.559 -4.293 2.886 1.00 0.00 C ATOM 563 CD ARG A 39 7.719 -3.635 3.618 1.00 0.00 C ATOM 564 NE ARG A 39 7.341 -3.193 4.956 1.00 0.00 N ATOM 565 CZ ARG A 39 8.217 -2.959 5.927 1.00 0.00 C ATOM 566 NH1 ARG A 39 9.514 -3.126 5.710 1.00 0.00 N ATOM 567 NH2 ARG A 39 7.797 -2.558 7.121 1.00 0.00 N ATOM 0 H ARG A 39 4.069 -4.206 0.970 1.00 0.00 H new ATOM 0 HA ARG A 39 6.282 -5.758 -0.216 1.00 0.00 H new ATOM 0 HB2 ARG A 39 7.840 -4.955 1.306 1.00 0.00 H new ATOM 0 HB3 ARG A 39 6.936 -3.500 0.935 1.00 0.00 H new ATOM 0 HG2 ARG A 39 5.663 -3.682 2.999 1.00 0.00 H new ATOM 0 HG3 ARG A 39 6.344 -5.261 3.339 1.00 0.00 H new ATOM 0 HD2 ARG A 39 8.548 -4.339 3.690 1.00 0.00 H new ATOM 0 HD3 ARG A 39 8.074 -2.781 3.041 1.00 0.00 H new ATOM 0 HE ARG A 39 6.350 -3.056 5.157 1.00 0.00 H new ATOM 0 HH11 ARG A 39 9.842 -3.435 4.795 1.00 0.00 H new ATOM 0 HH12 ARG A 39 10.184 -2.945 6.458 1.00 0.00 H new ATOM 0 HH21 ARG A 39 6.800 -2.429 7.294 1.00 0.00 H new ATOM 0 HH22 ARG A 39 8.471 -2.379 7.865 1.00 0.00 H new ATOM 581 N ASN A 40 6.210 -7.376 1.888 1.00 0.00 N ATOM 582 CA ASN A 40 5.860 -8.505 2.741 1.00 0.00 C ATOM 583 C ASN A 40 6.491 -8.359 4.123 1.00 0.00 C ATOM 584 O ASN A 40 7.542 -7.737 4.274 1.00 0.00 O ATOM 585 CB ASN A 40 6.312 -9.817 2.097 1.00 0.00 C ATOM 586 CG ASN A 40 6.047 -9.852 0.605 1.00 0.00 C ATOM 587 OD1 ASN A 40 5.418 -8.947 0.054 1.00 0.00 O ATOM 588 ND2 ASN A 40 6.526 -10.898 -0.057 1.00 0.00 N ATOM 0 H ASN A 40 7.179 -7.374 1.568 1.00 0.00 H new ATOM 0 HA ASN A 40 4.776 -8.519 2.856 1.00 0.00 H new ATOM 0 HB2 ASN A 40 7.378 -9.958 2.277 1.00 0.00 H new ATOM 0 HB3 ASN A 40 5.795 -10.649 2.574 1.00 0.00 H new ATOM 0 HD21 ASN A 40 6.379 -10.976 -1.063 1.00 0.00 H new ATOM 0 HD22 ASN A 40 7.041 -11.624 0.441 1.00 0.00 H new ATOM 595 N SER A 41 5.841 -8.937 5.128 1.00 0.00 N ATOM 596 CA SER A 41 6.335 -8.870 6.498 1.00 0.00 C ATOM 597 C SER A 41 7.621 -9.677 6.651 1.00 0.00 C ATOM 598 O SER A 41 8.160 -10.199 5.676 1.00 0.00 O ATOM 599 CB SER A 41 5.275 -9.388 7.472 1.00 0.00 C ATOM 600 OG SER A 41 5.383 -8.746 8.730 1.00 0.00 O ATOM 0 H SER A 41 4.970 -9.457 5.019 1.00 0.00 H new ATOM 0 HA SER A 41 6.551 -7.827 6.730 1.00 0.00 H new ATOM 0 HB2 SER A 41 4.281 -9.218 7.057 1.00 0.00 H new ATOM 0 HB3 SER A 41 5.388 -10.465 7.599 1.00 0.00 H new ATOM 0 HG SER A 41 4.694 -9.093 9.334 1.00 0.00 H new ATOM 657 N MET A 46 2.733 -12.627 6.599 1.00 0.00 N ATOM 658 CA MET A 46 1.710 -11.709 6.114 1.00 0.00 C ATOM 659 C MET A 46 2.311 -10.674 5.169 1.00 0.00 C ATOM 660 O MET A 46 3.499 -10.730 4.847 1.00 0.00 O ATOM 661 CB MET A 46 1.025 -11.007 7.289 1.00 0.00 C ATOM 662 CG MET A 46 0.054 -11.897 8.047 1.00 0.00 C ATOM 663 SD MET A 46 -1.223 -10.959 8.906 1.00 0.00 S ATOM 664 CE MET A 46 -2.098 -12.273 9.751 1.00 0.00 C ATOM 0 HA MET A 46 0.969 -12.289 5.564 1.00 0.00 H new ATOM 0 HB2 MET A 46 1.787 -10.644 7.979 1.00 0.00 H new ATOM 0 HB3 MET A 46 0.490 -10.133 6.917 1.00 0.00 H new ATOM 0 HG2 MET A 46 -0.417 -12.590 7.350 1.00 0.00 H new ATOM 0 HG3 MET A 46 0.606 -12.498 8.770 1.00 0.00 H new ATOM 0 HE1 MET A 46 -2.920 -11.850 10.328 1.00 0.00 H new ATOM 0 HE2 MET A 46 -2.493 -12.977 9.018 1.00 0.00 H new ATOM 0 HE3 MET A 46 -1.414 -12.793 10.422 1.00 0.00 H new ATOM 674 N TYR A 47 1.487 -9.731 4.730 1.00 0.00 N ATOM 675 CA TYR A 47 1.938 -8.685 3.819 1.00 0.00 C ATOM 676 C TYR A 47 1.949 -7.326 4.512 1.00 0.00 C ATOM 677 O TYR A 47 1.641 -7.219 5.700 1.00 0.00 O ATOM 678 CB TYR A 47 1.037 -8.631 2.584 1.00 0.00 C ATOM 679 CG TYR A 47 1.392 -9.655 1.530 1.00 0.00 C ATOM 680 CD1 TYR A 47 2.491 -9.472 0.699 1.00 0.00 C ATOM 681 CD2 TYR A 47 0.629 -10.804 1.363 1.00 0.00 C ATOM 682 CE1 TYR A 47 2.820 -10.404 -0.267 1.00 0.00 C ATOM 683 CE2 TYR A 47 0.951 -11.742 0.402 1.00 0.00 C ATOM 684 CZ TYR A 47 2.048 -11.538 -0.410 1.00 0.00 C ATOM 685 OH TYR A 47 2.371 -12.469 -1.370 1.00 0.00 O ATOM 0 H TYR A 47 0.503 -9.668 4.990 1.00 0.00 H new ATOM 0 HA TYR A 47 2.955 -8.924 3.509 1.00 0.00 H new ATOM 0 HB2 TYR A 47 0.003 -8.783 2.892 1.00 0.00 H new ATOM 0 HB3 TYR A 47 1.096 -7.635 2.145 1.00 0.00 H new ATOM 0 HD1 TYR A 47 3.098 -8.586 0.810 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -0.231 -10.966 1.996 1.00 0.00 H new ATOM 0 HE1 TYR A 47 3.676 -10.245 -0.906 1.00 0.00 H new ATOM 0 HE2 TYR A 47 0.348 -12.630 0.287 1.00 0.00 H new ATOM 0 HH TYR A 47 1.728 -13.208 -1.338 1.00 0.00 H new ATOM 695 N THR A 48 2.307 -6.288 3.763 1.00 0.00 N ATOM 696 CA THR A 48 2.361 -4.937 4.304 1.00 0.00 C ATOM 697 C THR A 48 2.299 -3.896 3.190 1.00 0.00 C ATOM 698 O THR A 48 3.254 -3.727 2.433 1.00 0.00 O ATOM 699 CB THR A 48 3.640 -4.712 5.131 1.00 0.00 C ATOM 700 OG1 THR A 48 3.870 -5.834 5.990 1.00 0.00 O ATOM 701 CG2 THR A 48 3.532 -3.443 5.961 1.00 0.00 C ATOM 0 H THR A 48 2.564 -6.358 2.778 1.00 0.00 H new ATOM 0 HA THR A 48 1.494 -4.823 4.954 1.00 0.00 H new ATOM 0 HB THR A 48 4.478 -4.604 4.442 1.00 0.00 H new ATOM 0 HG1 THR A 48 3.011 -6.213 6.271 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.447 -3.306 6.536 1.00 0.00 H new ATOM 0 HG22 THR A 48 3.386 -2.588 5.301 1.00 0.00 H new ATOM 0 HG23 THR A 48 2.684 -3.524 6.642 1.00 0.00 H new ATOM 709 N VAL A 49 1.170 -3.202 3.097 1.00 0.00 N ATOM 710 CA VAL A 49 0.985 -2.176 2.078 1.00 0.00 C ATOM 711 C VAL A 49 1.345 -0.795 2.616 1.00 0.00 C ATOM 712 O VAL A 49 0.640 -0.243 3.460 1.00 0.00 O ATOM 713 CB VAL A 49 -0.466 -2.152 1.563 1.00 0.00 C ATOM 714 CG1 VAL A 49 -0.613 -1.151 0.426 1.00 0.00 C ATOM 715 CG2 VAL A 49 -0.898 -3.542 1.121 1.00 0.00 C ATOM 0 H VAL A 49 0.369 -3.332 3.715 1.00 0.00 H new ATOM 0 HA VAL A 49 1.652 -2.426 1.253 1.00 0.00 H new ATOM 0 HB VAL A 49 -1.117 -1.837 2.378 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -1.645 -1.148 0.075 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -0.348 -0.155 0.781 1.00 0.00 H new ATOM 0 HG13 VAL A 49 0.048 -1.432 -0.394 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -1.926 -3.506 0.760 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.244 -3.889 0.321 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -0.834 -4.229 1.965 1.00 0.00 H new ATOM 725 N SER A 50 2.448 -0.243 2.120 1.00 0.00 N ATOM 726 CA SER A 50 2.905 1.073 2.552 1.00 0.00 C ATOM 727 C SER A 50 2.793 2.087 1.419 1.00 0.00 C ATOM 728 O SER A 50 2.854 1.728 0.242 1.00 0.00 O ATOM 729 CB SER A 50 4.351 0.997 3.044 1.00 0.00 C ATOM 730 OG SER A 50 4.505 -0.014 4.025 1.00 0.00 O ATOM 0 H SER A 50 3.042 -0.686 1.419 1.00 0.00 H new ATOM 0 HA SER A 50 2.266 1.401 3.372 1.00 0.00 H new ATOM 0 HB2 SER A 50 5.014 0.795 2.203 1.00 0.00 H new ATOM 0 HB3 SER A 50 4.648 1.960 3.460 1.00 0.00 H new ATOM 0 HG SER A 50 5.439 -0.043 4.321 1.00 0.00 H new ATOM 736 N LEU A 51 2.628 3.354 1.781 1.00 0.00 N ATOM 737 CA LEU A 51 2.507 4.422 0.794 1.00 0.00 C ATOM 738 C LEU A 51 2.944 5.759 1.384 1.00 0.00 C ATOM 739 O LEU A 51 2.906 5.956 2.598 1.00 0.00 O ATOM 740 CB LEU A 51 1.066 4.519 0.291 1.00 0.00 C ATOM 741 CG LEU A 51 0.046 5.080 1.283 1.00 0.00 C ATOM 742 CD1 LEU A 51 -0.053 6.591 1.149 1.00 0.00 C ATOM 743 CD2 LEU A 51 -1.315 4.433 1.071 1.00 0.00 C ATOM 0 H LEU A 51 2.575 3.667 2.750 1.00 0.00 H new ATOM 0 HA LEU A 51 3.161 4.184 -0.045 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.055 5.143 -0.603 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.740 3.524 -0.011 1.00 0.00 H new ATOM 0 HG LEU A 51 0.383 4.847 2.293 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.783 6.972 1.863 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.920 7.039 1.351 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.367 6.847 0.137 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.028 4.844 1.785 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.660 4.635 0.057 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.233 3.356 1.219 1.00 0.00 H new ATOM 755 N PHE A 52 3.355 6.678 0.515 1.00 0.00 N ATOM 756 CA PHE A 52 3.796 7.998 0.950 1.00 0.00 C ATOM 757 C PHE A 52 2.618 8.962 1.044 1.00 0.00 C ATOM 758 O PHE A 52 1.742 8.976 0.178 1.00 0.00 O ATOM 759 CB PHE A 52 4.847 8.550 -0.016 1.00 0.00 C ATOM 760 CG PHE A 52 5.396 9.886 0.397 1.00 0.00 C ATOM 761 CD1 PHE A 52 6.022 10.045 1.623 1.00 0.00 C ATOM 762 CD2 PHE A 52 5.286 10.984 -0.442 1.00 0.00 C ATOM 763 CE1 PHE A 52 6.528 11.273 2.005 1.00 0.00 C ATOM 764 CE2 PHE A 52 5.790 12.214 -0.065 1.00 0.00 C ATOM 765 CZ PHE A 52 6.411 12.359 1.160 1.00 0.00 C ATOM 0 H PHE A 52 3.392 6.532 -0.494 1.00 0.00 H new ATOM 0 HA PHE A 52 4.239 7.898 1.941 1.00 0.00 H new ATOM 0 HB2 PHE A 52 5.668 7.837 -0.094 1.00 0.00 H new ATOM 0 HB3 PHE A 52 4.406 8.638 -1.009 1.00 0.00 H new ATOM 0 HD1 PHE A 52 6.116 9.199 2.288 1.00 0.00 H new ATOM 0 HD2 PHE A 52 4.801 10.877 -1.401 1.00 0.00 H new ATOM 0 HE1 PHE A 52 7.014 11.383 2.963 1.00 0.00 H new ATOM 0 HE2 PHE A 52 5.698 13.062 -0.728 1.00 0.00 H new ATOM 0 HZ PHE A 52 6.804 13.320 1.457 1.00 0.00 H new ATOM 775 N SER A 53 2.602 9.767 2.100 1.00 0.00 N ATOM 776 CA SER A 53 1.530 10.732 2.311 1.00 0.00 C ATOM 777 C SER A 53 2.082 12.050 2.849 1.00 0.00 C ATOM 778 O SER A 53 3.291 12.210 3.011 1.00 0.00 O ATOM 779 CB SER A 53 0.490 10.169 3.281 1.00 0.00 C ATOM 780 OG SER A 53 -0.342 9.217 2.640 1.00 0.00 O ATOM 0 H SER A 53 3.320 9.770 2.824 1.00 0.00 H new ATOM 0 HA SER A 53 1.054 10.923 1.349 1.00 0.00 H new ATOM 0 HB2 SER A 53 0.993 9.705 4.129 1.00 0.00 H new ATOM 0 HB3 SER A 53 -0.119 10.981 3.677 1.00 0.00 H new ATOM 0 HG SER A 53 -0.007 9.047 1.735 1.00 0.00 H new ATOM 786 N LYS A 54 1.185 12.991 3.124 1.00 0.00 N ATOM 787 CA LYS A 54 1.579 14.294 3.644 1.00 0.00 C ATOM 788 C LYS A 54 0.440 14.932 4.433 1.00 0.00 C ATOM 789 O LYS A 54 -0.734 14.698 4.146 1.00 0.00 O ATOM 790 CB LYS A 54 1.999 15.219 2.498 1.00 0.00 C ATOM 791 CG LYS A 54 2.418 16.605 2.957 1.00 0.00 C ATOM 792 CD LYS A 54 3.834 16.606 3.507 1.00 0.00 C ATOM 793 CE LYS A 54 4.156 17.912 4.217 1.00 0.00 C ATOM 794 NZ LYS A 54 4.542 18.984 3.257 1.00 0.00 N ATOM 0 H LYS A 54 0.180 12.875 2.995 1.00 0.00 H new ATOM 0 HA LYS A 54 2.426 14.148 4.314 1.00 0.00 H new ATOM 0 HB2 LYS A 54 2.826 14.760 1.956 1.00 0.00 H new ATOM 0 HB3 LYS A 54 1.171 15.313 1.796 1.00 0.00 H new ATOM 0 HG2 LYS A 54 2.351 17.302 2.121 1.00 0.00 H new ATOM 0 HG3 LYS A 54 1.729 16.959 3.724 1.00 0.00 H new ATOM 0 HD2 LYS A 54 3.957 15.774 4.200 1.00 0.00 H new ATOM 0 HD3 LYS A 54 4.542 16.449 2.693 1.00 0.00 H new ATOM 0 HE2 LYS A 54 3.289 18.235 4.794 1.00 0.00 H new ATOM 0 HE3 LYS A 54 4.968 17.750 4.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 4.754 19.858 3.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 5.384 18.686 2.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 3.758 19.157 2.596 1.00 0.00 H new ATOM 904 N GLY A 61 6.321 14.862 5.026 1.00 0.00 N ATOM 905 CA GLY A 61 5.505 13.720 4.655 1.00 0.00 C ATOM 906 C GLY A 61 5.937 12.448 5.355 1.00 0.00 C ATOM 907 O GLY A 61 7.092 12.035 5.255 1.00 0.00 O ATOM 0 HA2 GLY A 61 4.463 13.928 4.897 1.00 0.00 H new ATOM 0 HA3 GLY A 61 5.559 13.574 3.576 1.00 0.00 H new ATOM 911 N THR A 62 5.005 11.822 6.070 1.00 0.00 N ATOM 912 CA THR A 62 5.296 10.589 6.792 1.00 0.00 C ATOM 913 C THR A 62 4.773 9.373 6.036 1.00 0.00 C ATOM 914 O THR A 62 3.698 9.417 5.437 1.00 0.00 O ATOM 915 CB THR A 62 4.680 10.608 8.203 1.00 0.00 C ATOM 916 OG1 THR A 62 4.980 11.847 8.854 1.00 0.00 O ATOM 917 CG2 THR A 62 5.206 9.450 9.038 1.00 0.00 C ATOM 0 H THR A 62 4.043 12.149 6.164 1.00 0.00 H new ATOM 0 HA THR A 62 6.380 10.520 6.878 1.00 0.00 H new ATOM 0 HB THR A 62 3.599 10.504 8.104 1.00 0.00 H new ATOM 0 HG1 THR A 62 4.583 11.850 9.750 1.00 0.00 H new ATOM 0 HG21 THR A 62 4.757 9.484 10.031 1.00 0.00 H new ATOM 0 HG22 THR A 62 4.949 8.507 8.555 1.00 0.00 H new ATOM 0 HG23 THR A 62 6.290 9.528 9.127 1.00 0.00 H new ATOM 925 N VAL A 63 5.539 8.287 6.070 1.00 0.00 N ATOM 926 CA VAL A 63 5.151 7.057 5.389 1.00 0.00 C ATOM 927 C VAL A 63 4.271 6.189 6.282 1.00 0.00 C ATOM 928 O VAL A 63 4.610 5.921 7.435 1.00 0.00 O ATOM 929 CB VAL A 63 6.384 6.243 4.956 1.00 0.00 C ATOM 930 CG1 VAL A 63 5.960 4.931 4.314 1.00 0.00 C ATOM 931 CG2 VAL A 63 7.250 7.056 4.004 1.00 0.00 C ATOM 0 H VAL A 63 6.431 8.234 6.561 1.00 0.00 H new ATOM 0 HA VAL A 63 4.588 7.350 4.503 1.00 0.00 H new ATOM 0 HB VAL A 63 6.975 6.011 5.842 1.00 0.00 H new ATOM 0 HG11 VAL A 63 6.845 4.370 4.015 1.00 0.00 H new ATOM 0 HG12 VAL A 63 5.384 4.345 5.030 1.00 0.00 H new ATOM 0 HG13 VAL A 63 5.347 5.137 3.437 1.00 0.00 H new ATOM 0 HG21 VAL A 63 8.117 6.466 3.708 1.00 0.00 H new ATOM 0 HG22 VAL A 63 6.670 7.319 3.119 1.00 0.00 H new ATOM 0 HG23 VAL A 63 7.583 7.966 4.503 1.00 0.00 H new ATOM 941 N LYS A 64 3.138 5.753 5.742 1.00 0.00 N ATOM 942 CA LYS A 64 2.209 4.913 6.487 1.00 0.00 C ATOM 943 C LYS A 64 2.397 3.441 6.130 1.00 0.00 C ATOM 944 O LYS A 64 2.628 3.099 4.969 1.00 0.00 O ATOM 945 CB LYS A 64 0.766 5.337 6.204 1.00 0.00 C ATOM 946 CG LYS A 64 0.305 6.521 7.037 1.00 0.00 C ATOM 947 CD LYS A 64 0.684 7.841 6.385 1.00 0.00 C ATOM 948 CE LYS A 64 0.905 8.931 7.423 1.00 0.00 C ATOM 949 NZ LYS A 64 -0.341 9.238 8.179 1.00 0.00 N ATOM 0 H LYS A 64 2.841 5.968 4.790 1.00 0.00 H new ATOM 0 HA LYS A 64 2.417 5.040 7.549 1.00 0.00 H new ATOM 0 HB2 LYS A 64 0.670 5.588 5.148 1.00 0.00 H new ATOM 0 HB3 LYS A 64 0.104 4.492 6.392 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -0.776 6.476 7.169 1.00 0.00 H new ATOM 0 HG3 LYS A 64 0.750 6.464 8.031 1.00 0.00 H new ATOM 0 HD2 LYS A 64 1.591 7.710 5.795 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -0.103 8.147 5.696 1.00 0.00 H new ATOM 0 HE2 LYS A 64 1.684 8.618 8.118 1.00 0.00 H new ATOM 0 HE3 LYS A 64 1.263 9.835 6.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -0.166 10.031 8.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -1.097 9.496 7.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -0.631 8.401 8.724 1.00 0.00 H new ATOM 963 N HIS A 65 2.295 2.575 7.133 1.00 0.00 N ATOM 964 CA HIS A 65 2.452 1.141 6.923 1.00 0.00 C ATOM 965 C HIS A 65 1.198 0.388 7.356 1.00 0.00 C ATOM 966 O HIS A 65 0.932 0.241 8.549 1.00 0.00 O ATOM 967 CB HIS A 65 3.666 0.621 7.695 1.00 0.00 C ATOM 968 CG HIS A 65 3.728 1.107 9.110 1.00 0.00 C ATOM 969 ND1 HIS A 65 3.097 0.465 10.154 1.00 0.00 N ATOM 970 CD2 HIS A 65 4.355 2.178 9.651 1.00 0.00 C ATOM 971 CE1 HIS A 65 3.331 1.122 11.277 1.00 0.00 C ATOM 972 NE2 HIS A 65 4.092 2.165 10.999 1.00 0.00 N ATOM 0 H HIS A 65 2.104 2.842 8.099 1.00 0.00 H new ATOM 0 HA HIS A 65 2.608 0.970 5.858 1.00 0.00 H new ATOM 0 HB2 HIS A 65 3.647 -0.469 7.694 1.00 0.00 H new ATOM 0 HB3 HIS A 65 4.575 0.925 7.175 1.00 0.00 H new ATOM 0 HD1 HIS A 65 2.537 -0.384 10.073 1.00 0.00 H new ATOM 0 HD2 HIS A 65 4.951 2.907 9.121 1.00 0.00 H new ATOM 0 HE1 HIS A 65 2.962 0.852 12.256 1.00 0.00 H new ATOM 981 N TYR A 66 0.433 -0.087 6.380 1.00 0.00 N ATOM 982 CA TYR A 66 -0.795 -0.821 6.660 1.00 0.00 C ATOM 983 C TYR A 66 -0.570 -2.325 6.540 1.00 0.00 C ATOM 984 O TYR A 66 -0.352 -2.847 5.446 1.00 0.00 O ATOM 985 CB TYR A 66 -1.906 -0.383 5.704 1.00 0.00 C ATOM 986 CG TYR A 66 -2.173 1.105 5.726 1.00 0.00 C ATOM 987 CD1 TYR A 66 -2.809 1.701 6.809 1.00 0.00 C ATOM 988 CD2 TYR A 66 -1.789 1.915 4.665 1.00 0.00 C ATOM 989 CE1 TYR A 66 -3.054 3.060 6.833 1.00 0.00 C ATOM 990 CE2 TYR A 66 -2.029 3.275 4.682 1.00 0.00 C ATOM 991 CZ TYR A 66 -2.662 3.844 5.768 1.00 0.00 C ATOM 992 OH TYR A 66 -2.905 5.198 5.787 1.00 0.00 O ATOM 0 H TYR A 66 0.642 0.023 5.388 1.00 0.00 H new ATOM 0 HA TYR A 66 -1.096 -0.597 7.683 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -1.639 -0.681 4.690 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -2.824 -0.912 5.961 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -3.117 1.091 7.646 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -1.294 1.474 3.812 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -3.550 3.507 7.682 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -1.723 3.890 3.849 1.00 0.00 H new ATOM 0 HH TYR A 66 -2.565 5.603 4.962 1.00 0.00 H new ATOM 1002 N HIS A 67 -0.624 -3.017 7.674 1.00 0.00 N ATOM 1003 CA HIS A 67 -0.427 -4.463 7.697 1.00 0.00 C ATOM 1004 C HIS A 67 -1.699 -5.192 7.277 1.00 0.00 C ATOM 1005 O HIS A 67 -2.750 -5.036 7.899 1.00 0.00 O ATOM 1006 CB HIS A 67 -0.002 -4.917 9.094 1.00 0.00 C ATOM 1007 CG HIS A 67 1.420 -4.582 9.427 1.00 0.00 C ATOM 1008 ND1 HIS A 67 2.453 -5.487 9.316 1.00 0.00 N ATOM 1009 CD2 HIS A 67 1.977 -3.429 9.868 1.00 0.00 C ATOM 1010 CE1 HIS A 67 3.584 -4.909 9.677 1.00 0.00 C ATOM 1011 NE2 HIS A 67 3.323 -3.659 10.016 1.00 0.00 N ATOM 0 H HIS A 67 -0.802 -2.601 8.588 1.00 0.00 H new ATOM 0 HA HIS A 67 0.362 -4.709 6.986 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -0.658 -4.455 9.832 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -0.141 -5.995 9.174 1.00 0.00 H new ATOM 0 HD2 HIS A 67 1.460 -2.502 10.066 1.00 0.00 H new ATOM 0 HE1 HIS A 67 4.557 -5.378 9.693 1.00 0.00 H new ATOM 0 HE2 HIS A 67 4.010 -2.976 10.336 1.00 0.00 H new ATOM 1020 N VAL A 68 -1.597 -5.987 6.218 1.00 0.00 N ATOM 1021 CA VAL A 68 -2.740 -6.741 5.714 1.00 0.00 C ATOM 1022 C VAL A 68 -3.101 -7.885 6.654 1.00 0.00 C ATOM 1023 O VAL A 68 -2.336 -8.837 6.812 1.00 0.00 O ATOM 1024 CB VAL A 68 -2.461 -7.311 4.311 1.00 0.00 C ATOM 1025 CG1 VAL A 68 -3.723 -7.925 3.724 1.00 0.00 C ATOM 1026 CG2 VAL A 68 -1.910 -6.228 3.395 1.00 0.00 C ATOM 0 H VAL A 68 -0.735 -6.126 5.691 1.00 0.00 H new ATOM 0 HA VAL A 68 -3.577 -6.046 5.655 1.00 0.00 H new ATOM 0 HB VAL A 68 -1.710 -8.096 4.400 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -3.507 -8.323 2.732 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -4.070 -8.731 4.370 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -4.498 -7.162 3.648 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -1.719 -6.649 2.408 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.636 -5.419 3.310 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -0.980 -5.839 3.810 1.00 0.00 H new ATOM 1036 N HIS A 69 -4.271 -7.786 7.275 1.00 0.00 N ATOM 1037 CA HIS A 69 -4.734 -8.815 8.201 1.00 0.00 C ATOM 1038 C HIS A 69 -5.728 -9.751 7.519 1.00 0.00 C ATOM 1039 O HIS A 69 -5.975 -9.643 6.316 1.00 0.00 O ATOM 1040 CB HIS A 69 -5.380 -8.173 9.428 1.00 0.00 C ATOM 1041 CG HIS A 69 -4.472 -7.238 10.163 1.00 0.00 C ATOM 1042 ND1 HIS A 69 -3.142 -7.514 10.405 1.00 0.00 N ATOM 1043 CD2 HIS A 69 -4.706 -6.022 10.710 1.00 0.00 C ATOM 1044 CE1 HIS A 69 -2.600 -6.510 11.070 1.00 0.00 C ATOM 1045 NE2 HIS A 69 -3.528 -5.591 11.267 1.00 0.00 N ATOM 0 H HIS A 69 -4.916 -7.005 7.155 1.00 0.00 H new ATOM 0 HA HIS A 69 -3.870 -9.399 8.519 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -6.272 -7.630 9.116 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -5.707 -8.959 10.109 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -5.646 -5.490 10.708 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -1.572 -6.450 11.397 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -3.391 -4.705 11.754 1.00 0.00 H new ATOM 1054 N THR A 70 -6.295 -10.671 8.293 1.00 0.00 N ATOM 1055 CA THR A 70 -7.260 -11.626 7.764 1.00 0.00 C ATOM 1056 C THR A 70 -8.413 -11.841 8.738 1.00 0.00 C ATOM 1057 O THR A 70 -8.199 -12.062 9.928 1.00 0.00 O ATOM 1058 CB THR A 70 -6.598 -12.984 7.463 1.00 0.00 C ATOM 1059 OG1 THR A 70 -5.357 -12.783 6.776 1.00 0.00 O ATOM 1060 CG2 THR A 70 -7.514 -13.857 6.619 1.00 0.00 C ATOM 0 H THR A 70 -6.102 -10.775 9.289 1.00 0.00 H new ATOM 0 HA THR A 70 -7.646 -11.204 6.836 1.00 0.00 H new ATOM 0 HB THR A 70 -6.411 -13.490 8.410 1.00 0.00 H new ATOM 0 HG1 THR A 70 -4.942 -13.651 6.590 1.00 0.00 H new ATOM 0 HG21 THR A 70 -7.025 -14.811 6.419 1.00 0.00 H new ATOM 0 HG22 THR A 70 -8.446 -14.032 7.156 1.00 0.00 H new ATOM 0 HG23 THR A 70 -7.728 -13.354 5.676 1.00 0.00 H new ATOM 1068 N ASN A 71 -9.636 -11.774 8.224 1.00 0.00 N ATOM 1069 CA ASN A 71 -10.824 -11.961 9.049 1.00 0.00 C ATOM 1070 C ASN A 71 -11.174 -13.441 9.170 1.00 0.00 C ATOM 1071 O ASN A 71 -10.468 -14.302 8.646 1.00 0.00 O ATOM 1072 CB ASN A 71 -12.007 -11.193 8.458 1.00 0.00 C ATOM 1073 CG ASN A 71 -12.771 -12.006 7.430 1.00 0.00 C ATOM 1074 OD1 ASN A 71 -12.259 -12.992 6.898 1.00 0.00 O ATOM 1075 ND2 ASN A 71 -14.002 -11.597 7.147 1.00 0.00 N ATOM 0 H ASN A 71 -9.831 -11.592 7.240 1.00 0.00 H new ATOM 0 HA ASN A 71 -10.609 -11.573 10.045 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -12.684 -10.900 9.261 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -11.645 -10.275 7.995 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -14.564 -12.105 6.464 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -14.386 -10.774 7.612 1.00 0.00 H new ATOM 1082 N ALA A 72 -12.270 -13.729 9.866 1.00 0.00 N ATOM 1083 CA ALA A 72 -12.715 -15.104 10.055 1.00 0.00 C ATOM 1084 C ALA A 72 -12.944 -15.796 8.714 1.00 0.00 C ATOM 1085 O ALA A 72 -12.691 -16.992 8.573 1.00 0.00 O ATOM 1086 CB ALA A 72 -13.986 -15.137 10.891 1.00 0.00 C ATOM 0 H ALA A 72 -12.865 -13.028 10.308 1.00 0.00 H new ATOM 0 HA ALA A 72 -11.930 -15.644 10.584 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -14.307 -16.170 11.024 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -13.792 -14.689 11.865 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -14.770 -14.576 10.383 1.00 0.00 H new ATOM 1092 N GLU A 73 -13.423 -15.035 7.735 1.00 0.00 N ATOM 1093 CA GLU A 73 -13.686 -15.577 6.408 1.00 0.00 C ATOM 1094 C GLU A 73 -12.422 -15.564 5.553 1.00 0.00 C ATOM 1095 O GLU A 73 -12.480 -15.348 4.343 1.00 0.00 O ATOM 1096 CB GLU A 73 -14.791 -14.777 5.716 1.00 0.00 C ATOM 1097 CG GLU A 73 -16.089 -14.721 6.505 1.00 0.00 C ATOM 1098 CD GLU A 73 -17.229 -14.113 5.711 1.00 0.00 C ATOM 1099 OE1 GLU A 73 -17.490 -14.588 4.587 1.00 0.00 O ATOM 1100 OE2 GLU A 73 -17.860 -13.161 6.216 1.00 0.00 O ATOM 0 H GLU A 73 -13.636 -14.043 7.836 1.00 0.00 H new ATOM 0 HA GLU A 73 -14.013 -16.610 6.525 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -14.437 -13.761 5.542 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -14.989 -15.217 4.739 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -16.365 -15.729 6.816 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -15.933 -14.139 7.413 1.00 0.00 H new ATOM 1107 N ASN A 74 -11.280 -15.795 6.194 1.00 0.00 N ATOM 1108 CA ASN A 74 -10.001 -15.807 5.493 1.00 0.00 C ATOM 1109 C ASN A 74 -9.958 -14.726 4.418 1.00 0.00 C ATOM 1110 O ASN A 74 -9.486 -14.960 3.305 1.00 0.00 O ATOM 1111 CB ASN A 74 -9.755 -17.180 4.863 1.00 0.00 C ATOM 1112 CG ASN A 74 -10.205 -18.317 5.759 1.00 0.00 C ATOM 1113 OD1 ASN A 74 -9.414 -18.873 6.521 1.00 0.00 O ATOM 1114 ND2 ASN A 74 -11.483 -18.669 5.671 1.00 0.00 N ATOM 0 H ASN A 74 -11.214 -15.976 7.196 1.00 0.00 H new ATOM 0 HA ASN A 74 -9.215 -15.601 6.220 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -10.284 -17.240 3.912 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -8.693 -17.292 4.645 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -11.844 -19.428 6.249 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -12.103 -18.180 5.025 1.00 0.00 H new ATOM 1121 N LYS A 75 -10.454 -13.541 4.758 1.00 0.00 N ATOM 1122 CA LYS A 75 -10.472 -12.422 3.823 1.00 0.00 C ATOM 1123 C LYS A 75 -9.477 -11.347 4.245 1.00 0.00 C ATOM 1124 O LYS A 75 -9.370 -11.013 5.426 1.00 0.00 O ATOM 1125 CB LYS A 75 -11.878 -11.825 3.737 1.00 0.00 C ATOM 1126 CG LYS A 75 -12.841 -12.653 2.903 1.00 0.00 C ATOM 1127 CD LYS A 75 -13.958 -11.799 2.329 1.00 0.00 C ATOM 1128 CE LYS A 75 -15.190 -12.632 2.012 1.00 0.00 C ATOM 1129 NZ LYS A 75 -16.434 -11.813 2.032 1.00 0.00 N ATOM 0 H LYS A 75 -10.849 -13.331 5.675 1.00 0.00 H new ATOM 0 HA LYS A 75 -10.183 -12.796 2.841 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -12.281 -11.720 4.744 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -11.813 -10.823 3.313 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -12.298 -13.136 2.091 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -13.267 -13.446 3.518 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -14.220 -11.016 3.040 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -13.610 -11.303 1.423 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -15.074 -13.093 1.031 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -15.277 -13.442 2.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -17.251 -12.417 1.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -16.558 -11.394 2.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -16.362 -11.055 1.323 1.00 0.00 H new ATOM 1143 N LEU A 76 -8.751 -10.804 3.273 1.00 0.00 N ATOM 1144 CA LEU A 76 -7.765 -9.764 3.543 1.00 0.00 C ATOM 1145 C LEU A 76 -8.421 -8.387 3.577 1.00 0.00 C ATOM 1146 O LEU A 76 -9.491 -8.184 3.002 1.00 0.00 O ATOM 1147 CB LEU A 76 -6.663 -9.790 2.483 1.00 0.00 C ATOM 1148 CG LEU A 76 -6.149 -11.173 2.082 1.00 0.00 C ATOM 1149 CD1 LEU A 76 -5.658 -11.166 0.644 1.00 0.00 C ATOM 1150 CD2 LEU A 76 -5.041 -11.623 3.024 1.00 0.00 C ATOM 0 H LEU A 76 -8.827 -11.067 2.291 1.00 0.00 H new ATOM 0 HA LEU A 76 -7.325 -9.961 4.521 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -7.035 -9.290 1.589 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -5.820 -9.204 2.849 1.00 0.00 H new ATOM 0 HG LEU A 76 -6.974 -11.881 2.157 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -5.296 -12.159 0.378 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -6.478 -10.889 -0.019 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -4.847 -10.445 0.540 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -4.687 -12.609 2.724 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -4.216 -10.912 2.981 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -5.426 -11.670 4.043 1.00 0.00 H new ATOM 1162 N TYR A 77 -7.772 -7.445 4.253 1.00 0.00 N ATOM 1163 CA TYR A 77 -8.293 -6.088 4.361 1.00 0.00 C ATOM 1164 C TYR A 77 -7.271 -5.164 5.018 1.00 0.00 C ATOM 1165 O TYR A 77 -6.621 -5.534 5.995 1.00 0.00 O ATOM 1166 CB TYR A 77 -9.595 -6.080 5.165 1.00 0.00 C ATOM 1167 CG TYR A 77 -9.419 -6.504 6.605 1.00 0.00 C ATOM 1168 CD1 TYR A 77 -9.393 -7.848 6.957 1.00 0.00 C ATOM 1169 CD2 TYR A 77 -9.280 -5.560 7.615 1.00 0.00 C ATOM 1170 CE1 TYR A 77 -9.233 -8.240 8.272 1.00 0.00 C ATOM 1171 CE2 TYR A 77 -9.118 -5.942 8.933 1.00 0.00 C ATOM 1172 CZ TYR A 77 -9.096 -7.284 9.256 1.00 0.00 C ATOM 1173 OH TYR A 77 -8.937 -7.669 10.568 1.00 0.00 O ATOM 0 H TYR A 77 -6.885 -7.596 4.734 1.00 0.00 H new ATOM 0 HA TYR A 77 -8.494 -5.722 3.354 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -10.022 -5.077 5.140 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -10.313 -6.744 4.684 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -9.500 -8.600 6.189 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -9.299 -4.509 7.366 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -9.215 -9.289 8.528 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -9.009 -5.195 9.706 1.00 0.00 H new ATOM 0 HH TYR A 77 -8.854 -6.874 11.134 1.00 0.00 H new ATOM 1183 N LEU A 78 -7.138 -3.959 4.474 1.00 0.00 N ATOM 1184 CA LEU A 78 -6.197 -2.979 5.007 1.00 0.00 C ATOM 1185 C LEU A 78 -6.883 -2.051 6.003 1.00 0.00 C ATOM 1186 O LEU A 78 -6.266 -1.586 6.961 1.00 0.00 O ATOM 1187 CB LEU A 78 -5.583 -2.162 3.869 1.00 0.00 C ATOM 1188 CG LEU A 78 -4.434 -2.826 3.109 1.00 0.00 C ATOM 1189 CD1 LEU A 78 -3.848 -1.867 2.084 1.00 0.00 C ATOM 1190 CD2 LEU A 78 -3.358 -3.298 4.076 1.00 0.00 C ATOM 0 H LEU A 78 -7.669 -3.637 3.665 1.00 0.00 H new ATOM 0 HA LEU A 78 -5.405 -3.517 5.528 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -6.371 -1.920 3.156 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -5.223 -1.218 4.279 1.00 0.00 H new ATOM 0 HG LEU A 78 -4.827 -3.695 2.581 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -3.032 -2.356 1.553 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -4.622 -1.577 1.373 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -3.470 -0.979 2.591 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -2.548 -3.768 3.518 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -2.969 -2.445 4.632 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -3.786 -4.020 4.772 1.00 0.00 H new ATOM 1202 N ALA A 79 -8.165 -1.785 5.770 1.00 0.00 N ATOM 1203 CA ALA A 79 -8.936 -0.915 6.650 1.00 0.00 C ATOM 1204 C ALA A 79 -9.878 -1.725 7.535 1.00 0.00 C ATOM 1205 O ALA A 79 -10.510 -2.677 7.077 1.00 0.00 O ATOM 1206 CB ALA A 79 -9.720 0.100 5.832 1.00 0.00 C ATOM 0 H ALA A 79 -8.691 -2.159 4.980 1.00 0.00 H new ATOM 0 HA ALA A 79 -8.239 -0.384 7.298 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -10.291 0.743 6.501 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -9.029 0.707 5.247 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -10.402 -0.422 5.161 1.00 0.00 H new ATOM 1212 N GLU A 80 -9.966 -1.341 8.805 1.00 0.00 N ATOM 1213 CA GLU A 80 -10.829 -2.033 9.753 1.00 0.00 C ATOM 1214 C GLU A 80 -12.296 -1.897 9.354 1.00 0.00 C ATOM 1215 O GLU A 80 -12.684 -0.930 8.700 1.00 0.00 O ATOM 1216 CB GLU A 80 -10.620 -1.482 11.165 1.00 0.00 C ATOM 1217 CG GLU A 80 -9.174 -1.529 11.629 1.00 0.00 C ATOM 1218 CD GLU A 80 -8.847 -0.439 12.631 1.00 0.00 C ATOM 1219 OE1 GLU A 80 -9.353 -0.511 13.771 1.00 0.00 O ATOM 1220 OE2 GLU A 80 -8.085 0.484 12.277 1.00 0.00 O ATOM 0 H GLU A 80 -9.450 -0.555 9.200 1.00 0.00 H new ATOM 0 HA GLU A 80 -10.564 -3.090 9.741 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -10.970 -0.450 11.199 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -11.235 -2.050 11.862 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -8.972 -2.502 12.077 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -8.516 -1.433 10.765 1.00 0.00 H new ATOM 1227 N ASN A 81 -13.105 -2.873 9.753 1.00 0.00 N ATOM 1228 CA ASN A 81 -14.528 -2.862 9.437 1.00 0.00 C ATOM 1229 C ASN A 81 -14.751 -2.915 7.928 1.00 0.00 C ATOM 1230 O ASN A 81 -15.764 -2.432 7.422 1.00 0.00 O ATOM 1231 CB ASN A 81 -15.193 -1.612 10.017 1.00 0.00 C ATOM 1232 CG ASN A 81 -15.232 -1.630 11.533 1.00 0.00 C ATOM 1233 OD1 ASN A 81 -14.284 -1.205 12.195 1.00 0.00 O ATOM 1234 ND2 ASN A 81 -16.332 -2.124 12.091 1.00 0.00 N ATOM 0 H ASN A 81 -12.799 -3.681 10.295 1.00 0.00 H new ATOM 0 HA ASN A 81 -14.980 -3.747 9.886 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -14.653 -0.727 9.680 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -16.209 -1.532 9.631 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -16.416 -2.162 13.107 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -17.093 -2.465 11.504 1.00 0.00 H new ATOM 1241 N TYR A 82 -13.797 -3.505 7.216 1.00 0.00 N ATOM 1242 CA TYR A 82 -13.888 -3.620 5.765 1.00 0.00 C ATOM 1243 C TYR A 82 -13.394 -4.985 5.295 1.00 0.00 C ATOM 1244 O TYR A 82 -12.728 -5.706 6.037 1.00 0.00 O ATOM 1245 CB TYR A 82 -13.074 -2.512 5.093 1.00 0.00 C ATOM 1246 CG TYR A 82 -13.846 -1.227 4.895 1.00 0.00 C ATOM 1247 CD1 TYR A 82 -14.845 -1.136 3.934 1.00 0.00 C ATOM 1248 CD2 TYR A 82 -13.578 -0.106 5.670 1.00 0.00 C ATOM 1249 CE1 TYR A 82 -15.553 0.036 3.749 1.00 0.00 C ATOM 1250 CE2 TYR A 82 -14.282 1.070 5.493 1.00 0.00 C ATOM 1251 CZ TYR A 82 -15.268 1.136 4.532 1.00 0.00 C ATOM 1252 OH TYR A 82 -15.971 2.305 4.352 1.00 0.00 O ATOM 0 H TYR A 82 -12.953 -3.911 7.620 1.00 0.00 H new ATOM 0 HA TYR A 82 -14.935 -3.515 5.482 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -12.190 -2.305 5.696 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -12.723 -2.868 4.124 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -15.072 -1.996 3.321 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -12.806 -0.154 6.424 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -16.325 0.091 2.996 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -14.061 1.933 6.104 1.00 0.00 H new ATOM 0 HH TYR A 82 -15.826 2.896 5.121 1.00 0.00 H new ATOM 1262 N CYS A 83 -13.727 -5.331 4.056 1.00 0.00 N ATOM 1263 CA CYS A 83 -13.319 -6.611 3.485 1.00 0.00 C ATOM 1264 C CYS A 83 -13.130 -6.496 1.975 1.00 0.00 C ATOM 1265 O CYS A 83 -13.689 -5.606 1.335 1.00 0.00 O ATOM 1266 CB CYS A 83 -14.356 -7.688 3.801 1.00 0.00 C ATOM 1267 SG CYS A 83 -16.008 -7.335 3.152 1.00 0.00 S ATOM 0 H CYS A 83 -14.277 -4.745 3.428 1.00 0.00 H new ATOM 0 HA CYS A 83 -12.366 -6.894 3.932 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -14.013 -8.639 3.393 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -14.420 -7.809 4.882 1.00 0.00 H new ATOM 0 HG CYS A 83 -16.815 -8.304 3.468 1.00 0.00 H new ATOM 1273 N PHE A 84 -12.336 -7.401 1.414 1.00 0.00 N ATOM 1274 CA PHE A 84 -12.070 -7.401 -0.020 1.00 0.00 C ATOM 1275 C PHE A 84 -11.986 -8.826 -0.558 1.00 0.00 C ATOM 1276 O PHE A 84 -12.200 -9.792 0.175 1.00 0.00 O ATOM 1277 CB PHE A 84 -10.770 -6.654 -0.319 1.00 0.00 C ATOM 1278 CG PHE A 84 -10.721 -5.274 0.274 1.00 0.00 C ATOM 1279 CD1 PHE A 84 -10.526 -5.096 1.633 1.00 0.00 C ATOM 1280 CD2 PHE A 84 -10.869 -4.155 -0.530 1.00 0.00 C ATOM 1281 CE1 PHE A 84 -10.481 -3.828 2.181 1.00 0.00 C ATOM 1282 CE2 PHE A 84 -10.827 -2.884 0.012 1.00 0.00 C ATOM 1283 CZ PHE A 84 -10.631 -2.721 1.369 1.00 0.00 C ATOM 0 H PHE A 84 -11.865 -8.144 1.930 1.00 0.00 H new ATOM 0 HA PHE A 84 -12.896 -6.892 -0.517 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -9.930 -7.235 0.063 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -10.642 -6.581 -1.399 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -10.408 -5.958 2.273 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -11.019 -4.277 -1.593 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -10.329 -3.703 3.243 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -10.947 -2.020 -0.625 1.00 0.00 H new ATOM 0 HZ PHE A 84 -10.595 -1.729 1.795 1.00 0.00 H new ATOM 1293 N ASP A 85 -11.675 -8.950 -1.843 1.00 0.00 N ATOM 1294 CA ASP A 85 -11.562 -10.255 -2.481 1.00 0.00 C ATOM 1295 C ASP A 85 -10.119 -10.751 -2.453 1.00 0.00 C ATOM 1296 O ASP A 85 -9.866 -11.951 -2.339 1.00 0.00 O ATOM 1297 CB ASP A 85 -12.062 -10.188 -3.925 1.00 0.00 C ATOM 1298 CG ASP A 85 -13.531 -9.825 -4.012 1.00 0.00 C ATOM 1299 OD1 ASP A 85 -14.266 -10.093 -3.039 1.00 0.00 O ATOM 1300 OD2 ASP A 85 -13.946 -9.272 -5.052 1.00 0.00 O ATOM 0 H ASP A 85 -11.496 -8.161 -2.464 1.00 0.00 H new ATOM 0 HA ASP A 85 -12.181 -10.958 -1.923 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -11.476 -9.453 -4.476 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -11.900 -11.152 -4.408 1.00 0.00 H new ATOM 1305 N SER A 86 -9.176 -9.821 -2.558 1.00 0.00 N ATOM 1306 CA SER A 86 -7.759 -10.163 -2.550 1.00 0.00 C ATOM 1307 C SER A 86 -6.897 -8.906 -2.466 1.00 0.00 C ATOM 1308 O SER A 86 -7.402 -7.787 -2.561 1.00 0.00 O ATOM 1309 CB SER A 86 -7.398 -10.961 -3.804 1.00 0.00 C ATOM 1310 OG SER A 86 -6.241 -11.750 -3.591 1.00 0.00 O ATOM 0 H SER A 86 -9.368 -8.823 -2.650 1.00 0.00 H new ATOM 0 HA SER A 86 -7.563 -10.776 -1.670 1.00 0.00 H new ATOM 0 HB2 SER A 86 -8.233 -11.603 -4.083 1.00 0.00 H new ATOM 0 HB3 SER A 86 -7.228 -10.279 -4.637 1.00 0.00 H new ATOM 0 HG SER A 86 -6.032 -12.252 -4.407 1.00 0.00 H new ATOM 1316 N ILE A 87 -5.595 -9.101 -2.288 1.00 0.00 N ATOM 1317 CA ILE A 87 -4.662 -7.984 -2.193 1.00 0.00 C ATOM 1318 C ILE A 87 -4.759 -7.082 -3.418 1.00 0.00 C ATOM 1319 O ILE A 87 -5.042 -5.888 -3.319 1.00 0.00 O ATOM 1320 CB ILE A 87 -3.211 -8.476 -2.044 1.00 0.00 C ATOM 1321 CG1 ILE A 87 -2.847 -8.621 -0.565 1.00 0.00 C ATOM 1322 CG2 ILE A 87 -2.254 -7.517 -2.738 1.00 0.00 C ATOM 1323 CD1 ILE A 87 -1.621 -9.475 -0.326 1.00 0.00 C ATOM 0 H ILE A 87 -5.162 -10.021 -2.207 1.00 0.00 H new ATOM 0 HA ILE A 87 -4.937 -7.416 -1.305 1.00 0.00 H new ATOM 0 HB ILE A 87 -3.124 -9.454 -2.518 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -2.678 -7.631 -0.142 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -3.692 -9.056 -0.032 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -1.232 -7.878 -2.624 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -2.502 -7.458 -3.798 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -2.342 -6.527 -2.289 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -1.422 -9.534 0.744 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -1.793 -10.477 -0.719 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -0.763 -9.030 -0.831 1.00 0.00 H new ATOM 1335 N PRO A 88 -4.520 -7.663 -4.603 1.00 0.00 N ATOM 1336 CA PRO A 88 -4.576 -6.930 -5.871 1.00 0.00 C ATOM 1337 C PRO A 88 -5.999 -6.528 -6.245 1.00 0.00 C ATOM 1338 O PRO A 88 -6.212 -5.761 -7.185 1.00 0.00 O ATOM 1339 CB PRO A 88 -4.019 -7.932 -6.885 1.00 0.00 C ATOM 1340 CG PRO A 88 -4.286 -9.268 -6.283 1.00 0.00 C ATOM 1341 CD PRO A 88 -4.177 -9.082 -4.795 1.00 0.00 C ATOM 0 HA PRO A 88 -4.019 -5.994 -5.826 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -4.509 -7.829 -7.853 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -2.953 -7.778 -7.049 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -5.276 -9.629 -6.559 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -3.567 -10.006 -6.638 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -4.862 -9.737 -4.257 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -3.173 -9.305 -4.435 1.00 0.00 H new ATOM 1349 N LYS A 89 -6.970 -7.050 -5.504 1.00 0.00 N ATOM 1350 CA LYS A 89 -8.374 -6.744 -5.756 1.00 0.00 C ATOM 1351 C LYS A 89 -8.816 -5.521 -4.960 1.00 0.00 C ATOM 1352 O LYS A 89 -9.831 -4.898 -5.273 1.00 0.00 O ATOM 1353 CB LYS A 89 -9.251 -7.945 -5.396 1.00 0.00 C ATOM 1354 CG LYS A 89 -9.113 -9.110 -6.361 1.00 0.00 C ATOM 1355 CD LYS A 89 -9.999 -8.932 -7.581 1.00 0.00 C ATOM 1356 CE LYS A 89 -9.484 -9.734 -8.767 1.00 0.00 C ATOM 1357 NZ LYS A 89 -10.518 -9.882 -9.829 1.00 0.00 N ATOM 0 H LYS A 89 -6.811 -7.687 -4.724 1.00 0.00 H new ATOM 0 HA LYS A 89 -8.487 -6.524 -6.818 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -8.995 -8.283 -4.392 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -10.294 -7.628 -5.369 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -8.073 -9.202 -6.676 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -9.375 -10.038 -5.852 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -11.015 -9.245 -7.342 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -10.045 -7.876 -7.847 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -8.604 -9.243 -9.183 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -9.168 -10.721 -8.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -10.128 -10.434 -10.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -11.348 -10.373 -9.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -10.802 -8.942 -10.171 1.00 0.00 H new ATOM 1371 N LEU A 90 -8.048 -5.182 -3.931 1.00 0.00 N ATOM 1372 CA LEU A 90 -8.360 -4.031 -3.089 1.00 0.00 C ATOM 1373 C LEU A 90 -7.711 -2.765 -3.637 1.00 0.00 C ATOM 1374 O LEU A 90 -8.308 -1.688 -3.609 1.00 0.00 O ATOM 1375 CB LEU A 90 -7.889 -4.280 -1.655 1.00 0.00 C ATOM 1376 CG LEU A 90 -7.607 -3.034 -0.816 1.00 0.00 C ATOM 1377 CD1 LEU A 90 -7.842 -3.319 0.659 1.00 0.00 C ATOM 1378 CD2 LEU A 90 -6.184 -2.546 -1.046 1.00 0.00 C ATOM 0 H LEU A 90 -7.205 -5.687 -3.659 1.00 0.00 H new ATOM 0 HA LEU A 90 -9.441 -3.893 -3.090 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -8.646 -4.875 -1.143 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -6.981 -4.882 -1.691 1.00 0.00 H new ATOM 0 HG LEU A 90 -8.294 -2.247 -1.127 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -7.636 -2.420 1.241 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -8.879 -3.620 0.811 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -7.180 -4.121 0.985 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -6.001 -1.658 -0.440 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -5.481 -3.329 -0.763 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -6.049 -2.301 -2.099 1.00 0.00 H new ATOM 1390 N ILE A 91 -6.487 -2.900 -4.137 1.00 0.00 N ATOM 1391 CA ILE A 91 -5.760 -1.768 -4.695 1.00 0.00 C ATOM 1392 C ILE A 91 -6.440 -1.244 -5.955 1.00 0.00 C ATOM 1393 O ILE A 91 -6.495 -0.036 -6.188 1.00 0.00 O ATOM 1394 CB ILE A 91 -4.304 -2.143 -5.029 1.00 0.00 C ATOM 1395 CG1 ILE A 91 -3.489 -2.307 -3.746 1.00 0.00 C ATOM 1396 CG2 ILE A 91 -3.678 -1.088 -5.930 1.00 0.00 C ATOM 1397 CD1 ILE A 91 -3.594 -3.687 -3.135 1.00 0.00 C ATOM 0 H ILE A 91 -5.978 -3.784 -4.167 1.00 0.00 H new ATOM 0 HA ILE A 91 -5.760 -0.988 -3.934 1.00 0.00 H new ATOM 0 HB ILE A 91 -4.303 -3.094 -5.561 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -2.442 -2.092 -3.960 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -3.823 -1.569 -3.016 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -2.649 -1.367 -6.157 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -4.247 -1.017 -6.857 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -3.688 -0.123 -5.422 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -2.991 -3.730 -2.228 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -4.635 -3.898 -2.889 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -3.232 -4.429 -3.847 1.00 0.00 H new ATOM 1409 N HIS A 92 -6.960 -2.160 -6.765 1.00 0.00 N ATOM 1410 CA HIS A 92 -7.640 -1.791 -8.001 1.00 0.00 C ATOM 1411 C HIS A 92 -8.781 -0.816 -7.723 1.00 0.00 C ATOM 1412 O HIS A 92 -8.964 0.164 -8.447 1.00 0.00 O ATOM 1413 CB HIS A 92 -8.179 -3.037 -8.705 1.00 0.00 C ATOM 1414 CG HIS A 92 -8.282 -2.889 -10.191 1.00 0.00 C ATOM 1415 ND1 HIS A 92 -9.475 -2.657 -10.843 1.00 0.00 N ATOM 1416 CD2 HIS A 92 -7.332 -2.938 -11.154 1.00 0.00 C ATOM 1417 CE1 HIS A 92 -9.254 -2.573 -12.143 1.00 0.00 C ATOM 1418 NE2 HIS A 92 -7.961 -2.738 -12.358 1.00 0.00 N ATOM 0 H HIS A 92 -6.923 -3.164 -6.588 1.00 0.00 H new ATOM 0 HA HIS A 92 -6.916 -1.301 -8.652 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -7.530 -3.882 -8.477 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -9.164 -3.274 -8.303 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -6.275 -3.104 -11.003 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -10.003 -2.399 -12.901 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -7.504 -2.720 -13.270 1.00 0.00 H new ATOM 1427 N TYR A 93 -9.545 -1.093 -6.673 1.00 0.00 N ATOM 1428 CA TYR A 93 -10.670 -0.243 -6.301 1.00 0.00 C ATOM 1429 C TYR A 93 -10.187 1.124 -5.827 1.00 0.00 C ATOM 1430 O TYR A 93 -10.716 2.159 -6.233 1.00 0.00 O ATOM 1431 CB TYR A 93 -11.501 -0.911 -5.205 1.00 0.00 C ATOM 1432 CG TYR A 93 -12.514 -1.903 -5.732 1.00 0.00 C ATOM 1433 CD1 TYR A 93 -13.513 -1.504 -6.612 1.00 0.00 C ATOM 1434 CD2 TYR A 93 -12.471 -3.238 -5.352 1.00 0.00 C ATOM 1435 CE1 TYR A 93 -14.440 -2.407 -7.095 1.00 0.00 C ATOM 1436 CE2 TYR A 93 -13.393 -4.148 -5.832 1.00 0.00 C ATOM 1437 CZ TYR A 93 -14.376 -3.728 -6.703 1.00 0.00 C ATOM 1438 OH TYR A 93 -15.297 -4.629 -7.183 1.00 0.00 O ATOM 0 H TYR A 93 -9.406 -1.899 -6.064 1.00 0.00 H new ATOM 0 HA TYR A 93 -11.293 -0.102 -7.184 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -10.831 -1.422 -4.513 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -12.021 -0.141 -4.635 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -13.565 -0.471 -6.923 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -11.703 -3.571 -4.669 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -15.211 -2.080 -7.777 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -13.344 -5.183 -5.527 1.00 0.00 H new ATOM 0 HH TYR A 93 -15.111 -5.516 -6.811 1.00 0.00 H new ATOM 1448 N HIS A 94 -9.177 1.120 -4.963 1.00 0.00 N ATOM 1449 CA HIS A 94 -8.619 2.359 -4.432 1.00 0.00 C ATOM 1450 C HIS A 94 -8.195 3.292 -5.562 1.00 0.00 C ATOM 1451 O HIS A 94 -8.527 4.477 -5.558 1.00 0.00 O ATOM 1452 CB HIS A 94 -7.424 2.059 -3.528 1.00 0.00 C ATOM 1453 CG HIS A 94 -7.810 1.616 -2.149 1.00 0.00 C ATOM 1454 ND1 HIS A 94 -9.042 1.884 -1.592 1.00 0.00 N ATOM 1455 CD2 HIS A 94 -7.120 0.919 -1.218 1.00 0.00 C ATOM 1456 CE1 HIS A 94 -9.093 1.373 -0.375 1.00 0.00 C ATOM 1457 NE2 HIS A 94 -7.940 0.781 -0.124 1.00 0.00 N ATOM 0 H HIS A 94 -8.728 0.273 -4.616 1.00 0.00 H new ATOM 0 HA HIS A 94 -9.393 2.855 -3.846 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -6.814 1.284 -3.992 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -6.803 2.952 -3.453 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -6.113 0.541 -1.316 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -9.934 1.430 0.300 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -7.697 0.299 0.742 1.00 0.00 H new ATOM 1466 N GLN A 95 -7.462 2.748 -6.528 1.00 0.00 N ATOM 1467 CA GLN A 95 -6.992 3.533 -7.663 1.00 0.00 C ATOM 1468 C GLN A 95 -8.062 4.518 -8.125 1.00 0.00 C ATOM 1469 O GLN A 95 -7.756 5.644 -8.519 1.00 0.00 O ATOM 1470 CB GLN A 95 -6.597 2.612 -8.818 1.00 0.00 C ATOM 1471 CG GLN A 95 -5.212 2.002 -8.665 1.00 0.00 C ATOM 1472 CD GLN A 95 -4.739 1.306 -9.925 1.00 0.00 C ATOM 1473 OE1 GLN A 95 -4.947 1.796 -11.035 1.00 0.00 O ATOM 1474 NE2 GLN A 95 -4.096 0.156 -9.760 1.00 0.00 N ATOM 0 H GLN A 95 -7.181 1.768 -6.547 1.00 0.00 H new ATOM 0 HA GLN A 95 -6.117 4.099 -7.343 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -7.331 1.810 -8.899 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -6.636 3.175 -9.750 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -4.502 2.785 -8.398 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -5.223 1.287 -7.842 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -3.945 -0.214 -8.821 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -3.753 -0.357 -10.572 1.00 0.00 H new ATOM 1483 N HIS A 96 -9.318 4.086 -8.074 1.00 0.00 N ATOM 1484 CA HIS A 96 -10.434 4.929 -8.485 1.00 0.00 C ATOM 1485 C HIS A 96 -11.009 5.691 -7.295 1.00 0.00 C ATOM 1486 O HIS A 96 -10.830 6.902 -7.177 1.00 0.00 O ATOM 1487 CB HIS A 96 -11.526 4.082 -9.140 1.00 0.00 C ATOM 1488 CG HIS A 96 -11.091 3.421 -10.411 1.00 0.00 C ATOM 1489 ND1 HIS A 96 -11.874 3.383 -11.545 1.00 0.00 N ATOM 1490 CD2 HIS A 96 -9.946 2.771 -10.724 1.00 0.00 C ATOM 1491 CE1 HIS A 96 -11.230 2.737 -12.501 1.00 0.00 C ATOM 1492 NE2 HIS A 96 -10.057 2.355 -12.028 1.00 0.00 N ATOM 0 H HIS A 96 -9.588 3.157 -7.752 1.00 0.00 H new ATOM 0 HA HIS A 96 -10.062 5.653 -9.210 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -11.852 3.317 -8.436 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -12.390 4.714 -9.346 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -9.102 2.609 -10.070 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -11.600 2.553 -13.499 1.00 0.00 H new ATOM 0 HE2 HIS A 96 -9.349 1.836 -12.547 1.00 0.00 H new ATOM 1501 N ASN A 97 -11.699 4.972 -6.416 1.00 0.00 N ATOM 1502 CA ASN A 97 -12.301 5.581 -5.235 1.00 0.00 C ATOM 1503 C ASN A 97 -11.751 4.951 -3.959 1.00 0.00 C ATOM 1504 O ASN A 97 -11.717 3.728 -3.823 1.00 0.00 O ATOM 1505 CB ASN A 97 -13.823 5.429 -5.278 1.00 0.00 C ATOM 1506 CG ASN A 97 -14.254 4.011 -5.594 1.00 0.00 C ATOM 1507 OD1 ASN A 97 -14.508 3.211 -4.694 1.00 0.00 O ATOM 1508 ND2 ASN A 97 -14.340 3.692 -6.882 1.00 0.00 N ATOM 0 H ASN A 97 -11.855 3.967 -6.499 1.00 0.00 H new ATOM 0 HA ASN A 97 -12.048 6.641 -5.234 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -14.242 5.728 -4.317 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -14.232 6.106 -6.028 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -14.626 2.752 -7.157 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -14.120 4.387 -7.595 1.00 0.00 H new ATOM 1515 N SER A 98 -11.323 5.796 -3.025 1.00 0.00 N ATOM 1516 CA SER A 98 -10.773 5.322 -1.762 1.00 0.00 C ATOM 1517 C SER A 98 -11.880 4.818 -0.841 1.00 0.00 C ATOM 1518 O SER A 98 -13.011 5.299 -0.892 1.00 0.00 O ATOM 1519 CB SER A 98 -9.990 6.441 -1.071 1.00 0.00 C ATOM 1520 OG SER A 98 -10.811 7.575 -0.851 1.00 0.00 O ATOM 0 H SER A 98 -11.347 6.811 -3.120 1.00 0.00 H new ATOM 0 HA SER A 98 -10.098 4.493 -1.977 1.00 0.00 H new ATOM 0 HB2 SER A 98 -9.598 6.081 -0.120 1.00 0.00 H new ATOM 0 HB3 SER A 98 -9.133 6.721 -1.683 1.00 0.00 H new ATOM 0 HG SER A 98 -10.289 8.276 -0.407 1.00 0.00 H new ATOM 1526 N ALA A 99 -11.545 3.844 -0.002 1.00 0.00 N ATOM 1527 CA ALA A 99 -12.509 3.275 0.932 1.00 0.00 C ATOM 1528 C ALA A 99 -12.144 3.614 2.373 1.00 0.00 C ATOM 1529 O ALA A 99 -10.987 3.897 2.681 1.00 0.00 O ATOM 1530 CB ALA A 99 -12.595 1.767 0.748 1.00 0.00 C ATOM 0 H ALA A 99 -10.613 3.432 0.050 1.00 0.00 H new ATOM 0 HA ALA A 99 -13.485 3.712 0.720 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -13.318 1.355 1.452 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -12.911 1.542 -0.271 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -11.617 1.322 0.931 1.00 0.00 H new ATOM 1536 N GLY A 100 -13.140 3.582 3.254 1.00 0.00 N ATOM 1537 CA GLY A 100 -12.903 3.890 4.653 1.00 0.00 C ATOM 1538 C GLY A 100 -11.933 5.040 4.837 1.00 0.00 C ATOM 1539 O GLY A 100 -12.255 6.187 4.529 1.00 0.00 O ATOM 0 H GLY A 100 -14.106 3.348 3.024 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -13.850 4.137 5.133 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -12.512 3.005 5.156 1.00 0.00 H new ATOM 1543 N MET A 101 -10.744 4.733 5.344 1.00 0.00 N ATOM 1544 CA MET A 101 -9.724 5.750 5.570 1.00 0.00 C ATOM 1545 C MET A 101 -8.386 5.322 4.977 1.00 0.00 C ATOM 1546 O MET A 101 -7.483 4.898 5.700 1.00 0.00 O ATOM 1547 CB MET A 101 -9.567 6.022 7.067 1.00 0.00 C ATOM 1548 CG MET A 101 -8.501 7.057 7.389 1.00 0.00 C ATOM 1549 SD MET A 101 -9.138 8.744 7.359 1.00 0.00 S ATOM 1550 CE MET A 101 -9.554 8.978 9.085 1.00 0.00 C ATOM 0 H MET A 101 -10.463 3.788 5.606 1.00 0.00 H new ATOM 0 HA MET A 101 -10.045 6.665 5.073 1.00 0.00 H new ATOM 0 HB2 MET A 101 -10.522 6.360 7.469 1.00 0.00 H new ATOM 0 HB3 MET A 101 -9.320 5.089 7.573 1.00 0.00 H new ATOM 0 HG2 MET A 101 -8.083 6.848 8.374 1.00 0.00 H new ATOM 0 HG3 MET A 101 -7.685 6.968 6.671 1.00 0.00 H new ATOM 0 HE1 MET A 101 -9.962 9.978 9.228 1.00 0.00 H new ATOM 0 HE2 MET A 101 -10.295 8.237 9.384 1.00 0.00 H new ATOM 0 HE3 MET A 101 -8.658 8.861 9.694 1.00 0.00 H new ATOM 1560 N ILE A 102 -8.265 5.432 3.658 1.00 0.00 N ATOM 1561 CA ILE A 102 -7.037 5.056 2.969 1.00 0.00 C ATOM 1562 C ILE A 102 -6.624 6.121 1.959 1.00 0.00 C ATOM 1563 O ILE A 102 -7.444 6.601 1.175 1.00 0.00 O ATOM 1564 CB ILE A 102 -7.191 3.707 2.242 1.00 0.00 C ATOM 1565 CG1 ILE A 102 -7.682 2.632 3.213 1.00 0.00 C ATOM 1566 CG2 ILE A 102 -5.870 3.293 1.609 1.00 0.00 C ATOM 1567 CD1 ILE A 102 -6.576 2.007 4.034 1.00 0.00 C ATOM 0 H ILE A 102 -9.003 5.779 3.045 1.00 0.00 H new ATOM 0 HA ILE A 102 -6.263 4.963 3.731 1.00 0.00 H new ATOM 0 HB ILE A 102 -7.932 3.820 1.451 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -8.419 3.071 3.886 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -8.191 1.850 2.649 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -5.995 2.338 1.099 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -5.558 4.050 0.890 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -5.110 3.194 2.384 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -6.998 1.254 4.700 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -5.850 1.538 3.370 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -6.082 2.778 4.625 1.00 0.00 H new ATOM 1579 N THR A 103 -5.346 6.488 1.982 1.00 0.00 N ATOM 1580 CA THR A 103 -4.824 7.496 1.068 1.00 0.00 C ATOM 1581 C THR A 103 -5.159 7.153 -0.379 1.00 0.00 C ATOM 1582 O THR A 103 -5.255 5.981 -0.742 1.00 0.00 O ATOM 1583 CB THR A 103 -3.298 7.643 1.209 1.00 0.00 C ATOM 1584 OG1 THR A 103 -2.948 7.835 2.584 1.00 0.00 O ATOM 1585 CG2 THR A 103 -2.789 8.815 0.383 1.00 0.00 C ATOM 0 H THR A 103 -4.654 6.102 2.624 1.00 0.00 H new ATOM 0 HA THR A 103 -5.299 8.440 1.333 1.00 0.00 H new ATOM 0 HB THR A 103 -2.832 6.729 0.841 1.00 0.00 H new ATOM 0 HG1 THR A 103 -2.115 8.348 2.641 1.00 0.00 H new ATOM 0 HG21 THR A 103 -1.708 8.899 0.498 1.00 0.00 H new ATOM 0 HG22 THR A 103 -3.030 8.652 -0.667 1.00 0.00 H new ATOM 0 HG23 THR A 103 -3.263 9.735 0.726 1.00 0.00 H new ATOM 1593 N ARG A 104 -5.335 8.182 -1.200 1.00 0.00 N ATOM 1594 CA ARG A 104 -5.660 7.990 -2.608 1.00 0.00 C ATOM 1595 C ARG A 104 -4.420 7.592 -3.403 1.00 0.00 C ATOM 1596 O ARG A 104 -3.666 8.449 -3.865 1.00 0.00 O ATOM 1597 CB ARG A 104 -6.267 9.267 -3.193 1.00 0.00 C ATOM 1598 CG ARG A 104 -7.778 9.347 -3.044 1.00 0.00 C ATOM 1599 CD ARG A 104 -8.318 10.670 -3.564 1.00 0.00 C ATOM 1600 NE ARG A 104 -8.324 11.703 -2.532 1.00 0.00 N ATOM 1601 CZ ARG A 104 -8.876 12.901 -2.694 1.00 0.00 C ATOM 1602 NH1 ARG A 104 -9.464 13.214 -3.840 1.00 0.00 N ATOM 1603 NH2 ARG A 104 -8.841 13.787 -1.707 1.00 0.00 N ATOM 0 H ARG A 104 -5.258 9.158 -0.914 1.00 0.00 H new ATOM 0 HA ARG A 104 -6.390 7.184 -2.679 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -5.816 10.131 -2.704 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -6.011 9.330 -4.251 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -8.243 8.524 -3.587 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -8.048 9.229 -1.995 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -7.712 11.003 -4.406 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -9.332 10.526 -3.938 1.00 0.00 H new ATOM 0 HE ARG A 104 -7.880 11.494 -1.638 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -9.494 12.535 -4.600 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -9.887 14.134 -3.962 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -8.390 13.549 -0.824 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -9.265 14.706 -1.832 1.00 0.00 H new ATOM 1617 N LEU A 105 -4.215 6.290 -3.557 1.00 0.00 N ATOM 1618 CA LEU A 105 -3.065 5.778 -4.295 1.00 0.00 C ATOM 1619 C LEU A 105 -2.837 6.581 -5.571 1.00 0.00 C ATOM 1620 O LEU A 105 -3.573 6.439 -6.548 1.00 0.00 O ATOM 1621 CB LEU A 105 -3.271 4.302 -4.640 1.00 0.00 C ATOM 1622 CG LEU A 105 -3.627 3.383 -3.470 1.00 0.00 C ATOM 1623 CD1 LEU A 105 -3.250 1.944 -3.787 1.00 0.00 C ATOM 1624 CD2 LEU A 105 -2.937 3.850 -2.197 1.00 0.00 C ATOM 0 H LEU A 105 -4.830 5.568 -3.181 1.00 0.00 H new ATOM 0 HA LEU A 105 -2.184 5.878 -3.661 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -4.063 4.231 -5.386 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -2.359 3.928 -5.106 1.00 0.00 H new ATOM 0 HG LEU A 105 -4.705 3.427 -3.312 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -3.511 1.305 -2.943 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -3.791 1.613 -4.673 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -2.178 1.881 -3.972 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -3.201 3.185 -1.375 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -1.857 3.836 -2.342 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -3.258 4.865 -1.960 1.00 0.00 H new ATOM 1636 N ARG A 106 -1.809 7.425 -5.557 1.00 0.00 N ATOM 1637 CA ARG A 106 -1.482 8.251 -6.713 1.00 0.00 C ATOM 1638 C ARG A 106 -0.803 7.421 -7.799 1.00 0.00 C ATOM 1639 O ARG A 106 -1.400 7.131 -8.837 1.00 0.00 O ATOM 1640 CB ARG A 106 -0.574 9.410 -6.299 1.00 0.00 C ATOM 1641 CG ARG A 106 -1.332 10.652 -5.860 1.00 0.00 C ATOM 1642 CD ARG A 106 -2.021 11.328 -7.034 1.00 0.00 C ATOM 1643 NE ARG A 106 -3.213 12.063 -6.621 1.00 0.00 N ATOM 1644 CZ ARG A 106 -3.827 12.959 -7.386 1.00 0.00 C ATOM 1645 NH1 ARG A 106 -3.363 13.228 -8.599 1.00 0.00 N ATOM 1646 NH2 ARG A 106 -4.905 13.588 -6.939 1.00 0.00 N ATOM 0 H ARG A 106 -1.189 7.554 -4.758 1.00 0.00 H new ATOM 0 HA ARG A 106 -2.412 8.654 -7.115 1.00 0.00 H new ATOM 0 HB2 ARG A 106 0.071 9.082 -5.484 1.00 0.00 H new ATOM 0 HB3 ARG A 106 0.076 9.668 -7.135 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -2.074 10.380 -5.109 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -0.643 11.353 -5.389 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -1.324 12.011 -7.519 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -2.297 10.577 -7.774 1.00 0.00 H new ATOM 0 HE ARG A 106 -3.596 11.878 -5.694 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -2.533 12.747 -8.946 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -3.836 13.916 -9.185 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -5.264 13.384 -6.006 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -5.375 14.276 -7.528 1.00 0.00 H new ATOM 1660 N HIS A 107 0.447 7.044 -7.554 1.00 0.00 N ATOM 1661 CA HIS A 107 1.207 6.248 -8.510 1.00 0.00 C ATOM 1662 C HIS A 107 1.859 5.051 -7.824 1.00 0.00 C ATOM 1663 O HIS A 107 2.230 5.102 -6.652 1.00 0.00 O ATOM 1664 CB HIS A 107 2.277 7.108 -9.186 1.00 0.00 C ATOM 1665 CG HIS A 107 1.750 7.945 -10.310 1.00 0.00 C ATOM 1666 ND1 HIS A 107 1.821 7.560 -11.632 1.00 0.00 N ATOM 1667 CD2 HIS A 107 1.140 9.153 -10.304 1.00 0.00 C ATOM 1668 CE1 HIS A 107 1.278 8.495 -12.391 1.00 0.00 C ATOM 1669 NE2 HIS A 107 0.857 9.473 -11.609 1.00 0.00 N ATOM 0 H HIS A 107 0.955 7.277 -6.701 1.00 0.00 H new ATOM 0 HA HIS A 107 0.516 5.878 -9.268 1.00 0.00 H new ATOM 0 HB2 HIS A 107 2.732 7.760 -8.440 1.00 0.00 H new ATOM 0 HB3 HIS A 107 3.066 6.459 -9.566 1.00 0.00 H new ATOM 0 HD2 HIS A 107 0.917 9.754 -9.435 1.00 0.00 H new ATOM 0 HE1 HIS A 107 1.193 8.465 -13.467 1.00 0.00 H new ATOM 0 HE2 HIS A 107 0.397 10.327 -11.924 1.00 0.00 H new ATOM 1678 N PRO A 108 2.001 3.945 -8.571 1.00 0.00 N ATOM 1679 CA PRO A 108 2.607 2.714 -8.056 1.00 0.00 C ATOM 1680 C PRO A 108 4.106 2.862 -7.815 1.00 0.00 C ATOM 1681 O PRO A 108 4.790 3.594 -8.532 1.00 0.00 O ATOM 1682 CB PRO A 108 2.342 1.695 -9.167 1.00 0.00 C ATOM 1683 CG PRO A 108 2.205 2.514 -10.405 1.00 0.00 C ATOM 1684 CD PRO A 108 1.581 3.813 -9.976 1.00 0.00 C ATOM 0 HA PRO A 108 2.191 2.429 -7.090 1.00 0.00 H new ATOM 0 HB2 PRO A 108 3.161 0.981 -9.253 1.00 0.00 H new ATOM 0 HB3 PRO A 108 1.437 1.120 -8.970 1.00 0.00 H new ATOM 0 HG2 PRO A 108 3.176 2.683 -10.871 1.00 0.00 H new ATOM 0 HG3 PRO A 108 1.582 2.006 -11.142 1.00 0.00 H new ATOM 0 HD2 PRO A 108 1.934 4.648 -10.581 1.00 0.00 H new ATOM 0 HD3 PRO A 108 0.495 3.788 -10.070 1.00 0.00 H new ATOM 1692 N VAL A 109 4.610 2.165 -6.802 1.00 0.00 N ATOM 1693 CA VAL A 109 6.028 2.217 -6.469 1.00 0.00 C ATOM 1694 C VAL A 109 6.571 0.827 -6.155 1.00 0.00 C ATOM 1695 O VAL A 109 5.828 -0.061 -5.740 1.00 0.00 O ATOM 1696 CB VAL A 109 6.287 3.142 -5.264 1.00 0.00 C ATOM 1697 CG1 VAL A 109 7.780 3.287 -5.013 1.00 0.00 C ATOM 1698 CG2 VAL A 109 5.642 4.500 -5.487 1.00 0.00 C ATOM 0 H VAL A 109 4.057 1.557 -6.198 1.00 0.00 H new ATOM 0 HA VAL A 109 6.544 2.616 -7.342 1.00 0.00 H new ATOM 0 HB VAL A 109 5.836 2.692 -4.380 1.00 0.00 H new ATOM 0 HG11 VAL A 109 7.943 3.944 -4.158 1.00 0.00 H new ATOM 0 HG12 VAL A 109 8.211 2.308 -4.805 1.00 0.00 H new ATOM 0 HG13 VAL A 109 8.257 3.714 -5.895 1.00 0.00 H new ATOM 0 HG21 VAL A 109 5.835 5.140 -4.626 1.00 0.00 H new ATOM 0 HG22 VAL A 109 6.061 4.959 -6.382 1.00 0.00 H new ATOM 0 HG23 VAL A 109 4.566 4.376 -5.613 1.00 0.00 H new ATOM 1708 N SER A 110 7.873 0.648 -6.357 1.00 0.00 N ATOM 1709 CA SER A 110 8.515 -0.636 -6.100 1.00 0.00 C ATOM 1710 C SER A 110 9.637 -0.485 -5.076 1.00 0.00 C ATOM 1711 O SER A 110 10.597 0.252 -5.297 1.00 0.00 O ATOM 1712 CB SER A 110 9.070 -1.221 -7.399 1.00 0.00 C ATOM 1713 OG SER A 110 8.038 -1.428 -8.347 1.00 0.00 O ATOM 0 H SER A 110 8.503 1.375 -6.697 1.00 0.00 H new ATOM 0 HA SER A 110 7.765 -1.316 -5.695 1.00 0.00 H new ATOM 0 HB2 SER A 110 9.819 -0.547 -7.814 1.00 0.00 H new ATOM 0 HB3 SER A 110 9.572 -2.166 -7.191 1.00 0.00 H new ATOM 0 HG SER A 110 7.168 -1.386 -7.898 1.00 0.00 H new