USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 622 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 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 61 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 47 SER OG : rot 37:sc= 0.583! USER MOD Set 2.2: A 48 CYS SG : rot 180:sc= -0.394 USER MOD Set 3.1: A 13 SER OG : rot 121:sc= -0.0835 USER MOD Set 3.2: A 15 SER OG : rot 180:sc= 0 USER MOD Set 3.3: A 83 HIS : no HD1:sc= 0.938 K(o=0.85,f=-10!) USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot -92:sc= -3.06! USER MOD Single : A 26 SER OG : rot 180:sc= 0.149 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.776 USER MOD Single : A 35 LYS NZ :NH3+ 179:sc= 0.108 (180deg=0.104) USER MOD Single : A 36 CYS SG : rot 27:sc= 1.18 USER MOD Single : A 37 LYS NZ :NH3+ 145:sc= -2.53 (180deg=-5.62!) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 49 MET CE :methyl -169:sc= -2.09 (180deg=-2.71!) USER MOD Single : A 54 TYR OH : rot -73:sc= 0.0248 USER MOD Single : A 62 SER OG : rot 39:sc= 0.00949 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= -0.755 K(o=-0.76,f=-2.2) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 30:sc= -0.716 USER MOD Single : A 80 CYS SG : rot 130:sc= -5.36! USER MOD Single : A 87 HIS : no HE2:sc= -0.61 X(o=-0.61,f=-0.59) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 0.121 -8.831 10.134 1.00 0.00 N ATOM 60 CA GLY A 7 0.629 -7.963 9.085 1.00 0.00 C ATOM 61 C GLY A 7 1.044 -6.604 9.651 1.00 0.00 C ATOM 62 O GLY A 7 1.601 -6.527 10.746 1.00 0.00 O ATOM 0 HA2 GLY A 7 1.483 -8.435 8.600 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.136 -7.824 8.321 1.00 0.00 H new ATOM 66 N VAL A 8 0.758 -5.565 8.880 1.00 0.00 N ATOM 67 CA VAL A 8 1.095 -4.213 9.291 1.00 0.00 C ATOM 68 C VAL A 8 -0.028 -3.262 8.873 1.00 0.00 C ATOM 69 O VAL A 8 -0.480 -3.294 7.729 1.00 0.00 O ATOM 70 CB VAL A 8 2.458 -3.816 8.719 1.00 0.00 C ATOM 71 CG1 VAL A 8 3.579 -4.117 9.715 1.00 0.00 C ATOM 72 CG2 VAL A 8 2.713 -4.510 7.380 1.00 0.00 C ATOM 0 H VAL A 8 0.297 -5.632 7.973 1.00 0.00 H new ATOM 0 HA VAL A 8 1.183 -4.155 10.376 1.00 0.00 H new ATOM 0 HB VAL A 8 2.447 -2.740 8.542 1.00 0.00 H new ATOM 0 HG11 VAL A 8 4.537 -3.826 9.284 1.00 0.00 H new ATOM 0 HG12 VAL A 8 3.409 -3.556 10.634 1.00 0.00 H new ATOM 0 HG13 VAL A 8 3.591 -5.184 9.938 1.00 0.00 H new ATOM 0 HG21 VAL A 8 3.688 -4.211 6.995 1.00 0.00 H new ATOM 0 HG22 VAL A 8 2.694 -5.591 7.521 1.00 0.00 H new ATOM 0 HG23 VAL A 8 1.939 -4.224 6.668 1.00 0.00 H new ATOM 82 N MET A 9 -0.448 -2.439 9.822 1.00 0.00 N ATOM 83 CA MET A 9 -1.510 -1.481 9.566 1.00 0.00 C ATOM 84 C MET A 9 -0.942 -0.156 9.055 1.00 0.00 C ATOM 85 O MET A 9 -0.261 0.557 9.790 1.00 0.00 O ATOM 86 CB MET A 9 -2.297 -1.236 10.855 1.00 0.00 C ATOM 87 CG MET A 9 -3.356 -2.320 11.066 1.00 0.00 C ATOM 88 SD MET A 9 -3.565 -2.638 12.810 1.00 0.00 S ATOM 89 CE MET A 9 -5.337 -2.843 12.877 1.00 0.00 C ATOM 0 H MET A 9 -0.072 -2.416 10.770 1.00 0.00 H new ATOM 0 HA MET A 9 -2.168 -1.892 8.800 1.00 0.00 H new ATOM 0 HB2 MET A 9 -1.614 -1.220 11.704 1.00 0.00 H new ATOM 0 HB3 MET A 9 -2.776 -0.258 10.812 1.00 0.00 H new ATOM 0 HG2 MET A 9 -4.304 -2.004 10.629 1.00 0.00 H new ATOM 0 HG3 MET A 9 -3.058 -3.235 10.554 1.00 0.00 H new ATOM 0 HE1 MET A 9 -5.641 -3.050 13.903 1.00 0.00 H new ATOM 0 HE2 MET A 9 -5.822 -1.930 12.532 1.00 0.00 H new ATOM 0 HE3 MET A 9 -5.632 -3.675 12.237 1.00 0.00 H new ATOM 99 N VAL A 10 -1.243 0.134 7.797 1.00 0.00 N ATOM 100 CA VAL A 10 -0.771 1.361 7.179 1.00 0.00 C ATOM 101 C VAL A 10 -1.972 2.192 6.722 1.00 0.00 C ATOM 102 O VAL A 10 -3.040 1.647 6.448 1.00 0.00 O ATOM 103 CB VAL A 10 0.198 1.034 6.040 1.00 0.00 C ATOM 104 CG1 VAL A 10 1.409 0.256 6.557 1.00 0.00 C ATOM 105 CG2 VAL A 10 -0.510 0.267 4.922 1.00 0.00 C ATOM 0 H VAL A 10 -1.808 -0.460 7.190 1.00 0.00 H new ATOM 0 HA VAL A 10 -0.215 1.962 7.899 1.00 0.00 H new ATOM 0 HB VAL A 10 0.557 1.976 5.625 1.00 0.00 H new ATOM 0 HG11 VAL A 10 2.081 0.036 5.728 1.00 0.00 H new ATOM 0 HG12 VAL A 10 1.934 0.854 7.302 1.00 0.00 H new ATOM 0 HG13 VAL A 10 1.075 -0.677 7.010 1.00 0.00 H new ATOM 0 HG21 VAL A 10 0.200 0.047 4.125 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -0.911 -0.666 5.318 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -1.325 0.872 4.525 1.00 0.00 H new ATOM 115 N PHE A 11 -1.756 3.498 6.655 1.00 0.00 N ATOM 116 CA PHE A 11 -2.808 4.409 6.236 1.00 0.00 C ATOM 117 C PHE A 11 -2.754 4.651 4.726 1.00 0.00 C ATOM 118 O PHE A 11 -1.906 5.401 4.244 1.00 0.00 O ATOM 119 CB PHE A 11 -2.567 5.734 6.962 1.00 0.00 C ATOM 120 CG PHE A 11 -3.177 5.795 8.364 1.00 0.00 C ATOM 121 CD1 PHE A 11 -4.504 5.556 8.538 1.00 0.00 C ATOM 122 CD2 PHE A 11 -2.392 6.090 9.435 1.00 0.00 C ATOM 123 CE1 PHE A 11 -5.071 5.613 9.839 1.00 0.00 C ATOM 124 CE2 PHE A 11 -2.959 6.147 10.736 1.00 0.00 C ATOM 125 CZ PHE A 11 -4.286 5.907 10.910 1.00 0.00 C ATOM 0 H PHE A 11 -0.869 3.946 6.884 1.00 0.00 H new ATOM 0 HA PHE A 11 -3.784 3.986 6.474 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -1.493 5.906 7.036 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -2.979 6.545 6.362 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -5.127 5.323 7.687 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -1.338 6.281 9.296 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -6.125 5.423 9.978 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -2.336 6.381 11.587 1.00 0.00 H new ATOM 0 HZ PHE A 11 -4.717 5.950 11.899 1.00 0.00 H new ATOM 135 N ILE A 12 -3.670 4.003 4.022 1.00 0.00 N ATOM 136 CA ILE A 12 -3.738 4.139 2.577 1.00 0.00 C ATOM 137 C ILE A 12 -4.577 5.368 2.224 1.00 0.00 C ATOM 138 O ILE A 12 -5.603 5.626 2.852 1.00 0.00 O ATOM 139 CB ILE A 12 -4.247 2.843 1.941 1.00 0.00 C ATOM 140 CG1 ILE A 12 -3.469 1.634 2.464 1.00 0.00 C ATOM 141 CG2 ILE A 12 -4.210 2.932 0.414 1.00 0.00 C ATOM 142 CD1 ILE A 12 -2.057 1.593 1.875 1.00 0.00 C ATOM 0 H ILE A 12 -4.372 3.382 4.425 1.00 0.00 H new ATOM 0 HA ILE A 12 -2.743 4.302 2.162 1.00 0.00 H new ATOM 0 HB ILE A 12 -5.289 2.705 2.231 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -3.412 1.677 3.552 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -4.000 0.717 2.208 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -4.576 1.999 -0.014 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -4.842 3.756 0.082 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -3.185 3.105 0.084 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.526 0.724 2.263 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -2.118 1.526 0.789 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.520 2.500 2.153 1.00 0.00 H new ATOM 154 N SER A 13 -4.110 6.095 1.219 1.00 0.00 N ATOM 155 CA SER A 13 -4.805 7.291 0.774 1.00 0.00 C ATOM 156 C SER A 13 -4.773 7.378 -0.753 1.00 0.00 C ATOM 157 O SER A 13 -4.179 6.527 -1.414 1.00 0.00 O ATOM 158 CB SER A 13 -4.187 8.548 1.390 1.00 0.00 C ATOM 159 OG SER A 13 -2.838 8.739 0.973 1.00 0.00 O ATOM 0 H SER A 13 -3.259 5.879 0.700 1.00 0.00 H new ATOM 0 HA SER A 13 -5.841 7.228 1.106 1.00 0.00 H new ATOM 0 HB2 SER A 13 -4.780 9.418 1.109 1.00 0.00 H new ATOM 0 HB3 SER A 13 -4.224 8.475 2.477 1.00 0.00 H new ATOM 0 HG SER A 13 -2.754 9.607 0.526 1.00 0.00 H new ATOM 165 N SER A 14 -5.419 8.413 -1.269 1.00 0.00 N ATOM 166 CA SER A 14 -5.471 8.622 -2.706 1.00 0.00 C ATOM 167 C SER A 14 -5.911 10.055 -3.011 1.00 0.00 C ATOM 168 O SER A 14 -6.829 10.574 -2.378 1.00 0.00 O ATOM 169 CB SER A 14 -6.419 7.623 -3.373 1.00 0.00 C ATOM 170 OG SER A 14 -7.692 7.586 -2.735 1.00 0.00 O ATOM 0 H SER A 14 -5.911 9.116 -0.718 1.00 0.00 H new ATOM 0 HA SER A 14 -4.472 8.461 -3.111 1.00 0.00 H new ATOM 0 HB2 SER A 14 -6.547 7.890 -4.422 1.00 0.00 H new ATOM 0 HB3 SER A 14 -5.973 6.629 -3.349 1.00 0.00 H new ATOM 0 HG SER A 14 -8.268 6.938 -3.192 1.00 0.00 H new ATOM 176 N SER A 15 -5.234 10.654 -3.980 1.00 0.00 N ATOM 177 CA SER A 15 -5.544 12.017 -4.376 1.00 0.00 C ATOM 178 C SER A 15 -6.969 12.091 -4.928 1.00 0.00 C ATOM 179 O SER A 15 -7.592 13.151 -4.906 1.00 0.00 O ATOM 180 CB SER A 15 -4.545 12.529 -5.416 1.00 0.00 C ATOM 181 OG SER A 15 -3.903 13.729 -4.995 1.00 0.00 O ATOM 0 H SER A 15 -4.472 10.221 -4.502 1.00 0.00 H new ATOM 0 HA SER A 15 -5.469 12.654 -3.495 1.00 0.00 H new ATOM 0 HB2 SER A 15 -3.793 11.763 -5.604 1.00 0.00 H new ATOM 0 HB3 SER A 15 -5.062 12.706 -6.359 1.00 0.00 H new ATOM 0 HG SER A 15 -3.272 14.022 -5.685 1.00 0.00 H new ATOM 187 N LEU A 16 -7.443 10.952 -5.409 1.00 0.00 N ATOM 188 CA LEU A 16 -8.783 10.874 -5.966 1.00 0.00 C ATOM 189 C LEU A 16 -9.804 11.185 -4.870 1.00 0.00 C ATOM 190 O LEU A 16 -10.693 12.014 -5.061 1.00 0.00 O ATOM 191 CB LEU A 16 -9.003 9.521 -6.646 1.00 0.00 C ATOM 192 CG LEU A 16 -8.013 9.158 -7.754 1.00 0.00 C ATOM 193 CD1 LEU A 16 -7.452 7.750 -7.548 1.00 0.00 C ATOM 194 CD2 LEU A 16 -8.650 9.326 -9.135 1.00 0.00 C ATOM 0 H LEU A 16 -6.923 10.075 -5.425 1.00 0.00 H new ATOM 0 HA LEU A 16 -8.915 11.622 -6.748 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -8.965 8.743 -5.883 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -10.009 9.507 -7.066 1.00 0.00 H new ATOM 0 HG LEU A 16 -7.172 9.850 -7.702 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -6.751 7.517 -8.349 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -6.936 7.700 -6.589 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -8.268 7.028 -7.559 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -7.925 9.061 -9.905 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -9.520 8.674 -9.216 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -8.960 10.362 -9.269 1.00 0.00 H new ATOM 206 N ASN A 17 -9.644 10.504 -3.745 1.00 0.00 N ATOM 207 CA ASN A 17 -10.541 10.697 -2.618 1.00 0.00 C ATOM 208 C ASN A 17 -9.886 11.639 -1.606 1.00 0.00 C ATOM 209 O ASN A 17 -8.754 11.412 -1.183 1.00 0.00 O ATOM 210 CB ASN A 17 -10.830 9.371 -1.911 1.00 0.00 C ATOM 211 CG ASN A 17 -11.922 8.587 -2.642 1.00 0.00 C ATOM 212 OD1 ASN A 17 -13.109 8.799 -2.450 1.00 0.00 O ATOM 213 ND2 ASN A 17 -11.458 7.672 -3.487 1.00 0.00 N ATOM 0 H ASN A 17 -8.906 9.817 -3.590 1.00 0.00 H new ATOM 0 HA ASN A 17 -11.474 11.115 -2.997 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -9.919 8.774 -1.863 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -11.140 9.562 -0.884 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -12.108 7.096 -4.022 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -10.452 7.546 -3.600 1.00 0.00 H new ATOM 220 N SER A 18 -10.627 12.678 -1.247 1.00 0.00 N ATOM 221 CA SER A 18 -10.132 13.655 -0.293 1.00 0.00 C ATOM 222 C SER A 18 -10.220 13.092 1.127 1.00 0.00 C ATOM 223 O SER A 18 -10.901 13.657 1.982 1.00 0.00 O ATOM 224 CB SER A 18 -10.914 14.967 -0.393 1.00 0.00 C ATOM 225 OG SER A 18 -10.231 15.937 -1.182 1.00 0.00 O ATOM 0 H SER A 18 -11.566 12.864 -1.600 1.00 0.00 H new ATOM 0 HA SER A 18 -9.089 13.865 -0.529 1.00 0.00 H new ATOM 0 HB2 SER A 18 -11.895 14.772 -0.827 1.00 0.00 H new ATOM 0 HB3 SER A 18 -11.082 15.366 0.607 1.00 0.00 H new ATOM 0 HG SER A 18 -10.763 16.759 -1.223 1.00 0.00 H new ATOM 231 N PHE A 19 -9.522 11.985 1.334 1.00 0.00 N ATOM 232 CA PHE A 19 -9.513 11.339 2.635 1.00 0.00 C ATOM 233 C PHE A 19 -8.646 10.078 2.615 1.00 0.00 C ATOM 234 O PHE A 19 -8.352 9.539 1.549 1.00 0.00 O ATOM 235 CB PHE A 19 -10.957 10.945 2.950 1.00 0.00 C ATOM 236 CG PHE A 19 -11.302 10.981 4.440 1.00 0.00 C ATOM 237 CD1 PHE A 19 -11.617 12.162 5.037 1.00 0.00 C ATOM 238 CD2 PHE A 19 -11.293 9.832 5.168 1.00 0.00 C ATOM 239 CE1 PHE A 19 -11.937 12.195 6.420 1.00 0.00 C ATOM 240 CE2 PHE A 19 -11.613 9.865 6.551 1.00 0.00 C ATOM 241 CZ PHE A 19 -11.928 11.046 7.148 1.00 0.00 C ATOM 0 H PHE A 19 -8.959 11.519 0.622 1.00 0.00 H new ATOM 0 HA PHE A 19 -9.104 12.017 3.384 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -11.630 11.615 2.416 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -11.140 9.940 2.570 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -11.624 13.074 4.459 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -11.042 8.894 4.694 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -12.188 13.133 6.894 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -11.606 8.953 7.129 1.00 0.00 H new ATOM 0 HZ PHE A 19 -12.171 11.071 8.200 1.00 0.00 H new ATOM 251 N ARG A 20 -8.260 9.645 3.807 1.00 0.00 N ATOM 252 CA ARG A 20 -7.432 8.458 3.939 1.00 0.00 C ATOM 253 C ARG A 20 -8.265 7.286 4.462 1.00 0.00 C ATOM 254 O ARG A 20 -9.361 7.483 4.984 1.00 0.00 O ATOM 255 CB ARG A 20 -6.261 8.707 4.892 1.00 0.00 C ATOM 256 CG ARG A 20 -5.256 9.685 4.281 1.00 0.00 C ATOM 257 CD ARG A 20 -5.265 11.020 5.028 1.00 0.00 C ATOM 258 NE ARG A 20 -5.786 12.090 4.148 1.00 0.00 N ATOM 259 CZ ARG A 20 -5.844 13.384 4.491 1.00 0.00 C ATOM 260 NH1 ARG A 20 -5.415 13.777 5.698 1.00 0.00 N ATOM 261 NH2 ARG A 20 -6.332 14.285 3.628 1.00 0.00 N ATOM 0 H ARG A 20 -8.505 10.095 4.689 1.00 0.00 H new ATOM 0 HA ARG A 20 -7.038 8.217 2.952 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -6.634 9.105 5.836 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -5.764 7.763 5.118 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -4.256 9.252 4.315 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -5.497 9.850 3.231 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -5.882 10.941 5.923 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -4.256 11.268 5.358 1.00 0.00 H new ATOM 0 HE ARG A 20 -6.122 11.826 3.222 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -5.044 13.091 6.356 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -5.459 14.762 5.959 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -6.660 13.986 2.709 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -6.376 15.270 3.889 1.00 0.00 H new ATOM 275 N SER A 21 -7.713 6.092 4.303 1.00 0.00 N ATOM 276 CA SER A 21 -8.392 4.888 4.753 1.00 0.00 C ATOM 277 C SER A 21 -7.456 4.058 5.633 1.00 0.00 C ATOM 278 O SER A 21 -6.275 4.376 5.763 1.00 0.00 O ATOM 279 CB SER A 21 -8.881 4.056 3.566 1.00 0.00 C ATOM 280 OG SER A 21 -10.275 4.232 3.329 1.00 0.00 O ATOM 0 H SER A 21 -6.804 5.932 3.869 1.00 0.00 H new ATOM 0 HA SER A 21 -9.263 5.184 5.338 1.00 0.00 H new ATOM 0 HB2 SER A 21 -8.323 4.336 2.673 1.00 0.00 H new ATOM 0 HB3 SER A 21 -8.675 3.002 3.753 1.00 0.00 H new ATOM 0 HG SER A 21 -10.548 3.686 2.563 1.00 0.00 H new ATOM 286 N GLU A 22 -8.019 3.010 6.216 1.00 0.00 N ATOM 287 CA GLU A 22 -7.249 2.131 7.081 1.00 0.00 C ATOM 288 C GLU A 22 -7.299 0.695 6.557 1.00 0.00 C ATOM 289 O GLU A 22 -8.261 -0.029 6.809 1.00 0.00 O ATOM 290 CB GLU A 22 -7.751 2.206 8.524 1.00 0.00 C ATOM 291 CG GLU A 22 -6.857 1.388 9.458 1.00 0.00 C ATOM 292 CD GLU A 22 -7.093 1.773 10.920 1.00 0.00 C ATOM 293 OE1 GLU A 22 -6.523 2.806 11.334 1.00 0.00 O ATOM 294 OE2 GLU A 22 -7.838 1.027 11.590 1.00 0.00 O ATOM 0 H GLU A 22 -8.999 2.749 6.107 1.00 0.00 H new ATOM 0 HA GLU A 22 -6.211 2.464 7.074 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -7.772 3.245 8.852 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -8.774 1.835 8.577 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -7.058 0.325 9.321 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -5.811 1.550 9.200 1.00 0.00 H new ATOM 301 N LYS A 23 -6.250 0.325 5.837 1.00 0.00 N ATOM 302 CA LYS A 23 -6.161 -1.013 5.276 1.00 0.00 C ATOM 303 C LYS A 23 -5.008 -1.766 5.942 1.00 0.00 C ATOM 304 O LYS A 23 -4.292 -1.205 6.771 1.00 0.00 O ATOM 305 CB LYS A 23 -6.054 -0.948 3.751 1.00 0.00 C ATOM 306 CG LYS A 23 -7.436 -0.813 3.109 1.00 0.00 C ATOM 307 CD LYS A 23 -8.115 -2.178 2.978 1.00 0.00 C ATOM 308 CE LYS A 23 -9.526 -2.036 2.403 1.00 0.00 C ATOM 309 NZ LYS A 23 -10.475 -2.899 3.142 1.00 0.00 N ATOM 0 H LYS A 23 -5.454 0.928 5.629 1.00 0.00 H new ATOM 0 HA LYS A 23 -7.071 -1.575 5.485 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -5.431 -0.101 3.462 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -5.563 -1.847 3.379 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -8.057 -0.150 3.711 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -7.341 -0.354 2.125 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -7.519 -2.824 2.333 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -8.163 -2.659 3.955 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -9.847 -0.996 2.464 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -9.524 -2.308 1.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -11.428 -2.791 2.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -10.176 -3.892 3.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -10.489 -2.621 4.144 1.00 0.00 H new ATOM 323 N ARG A 24 -4.863 -3.025 5.555 1.00 0.00 N ATOM 324 CA ARG A 24 -3.809 -3.860 6.104 1.00 0.00 C ATOM 325 C ARG A 24 -3.171 -4.704 5.000 1.00 0.00 C ATOM 326 O ARG A 24 -3.845 -5.107 4.053 1.00 0.00 O ATOM 327 CB ARG A 24 -4.352 -4.786 7.195 1.00 0.00 C ATOM 328 CG ARG A 24 -3.314 -5.840 7.586 1.00 0.00 C ATOM 329 CD ARG A 24 -3.881 -6.808 8.626 1.00 0.00 C ATOM 330 NE ARG A 24 -3.508 -8.198 8.282 1.00 0.00 N ATOM 331 CZ ARG A 24 -4.126 -8.932 7.347 1.00 0.00 C ATOM 332 NH1 ARG A 24 -5.151 -8.414 6.657 1.00 0.00 N ATOM 333 NH2 ARG A 24 -3.719 -10.185 7.101 1.00 0.00 N ATOM 0 H ARG A 24 -5.458 -3.487 4.868 1.00 0.00 H new ATOM 0 HA ARG A 24 -3.059 -3.202 6.542 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -4.627 -4.199 8.071 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -5.259 -5.277 6.842 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -3.001 -6.394 6.701 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -2.426 -5.350 7.986 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -3.500 -6.555 9.616 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -4.966 -6.714 8.668 1.00 0.00 H new ATOM 0 HE ARG A 24 -2.732 -8.624 8.788 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -5.461 -7.460 6.843 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -5.621 -8.973 5.945 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -2.939 -10.580 7.626 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -4.190 -10.744 6.389 1.00 0.00 H new ATOM 347 N TYR A 25 -1.878 -4.947 5.157 1.00 0.00 N ATOM 348 CA TYR A 25 -1.141 -5.736 4.184 1.00 0.00 C ATOM 349 C TYR A 25 0.067 -6.415 4.832 1.00 0.00 C ATOM 350 O TYR A 25 0.656 -5.880 5.770 1.00 0.00 O ATOM 351 CB TYR A 25 -0.648 -4.747 3.125 1.00 0.00 C ATOM 352 CG TYR A 25 -1.754 -3.875 2.526 1.00 0.00 C ATOM 353 CD1 TYR A 25 -2.220 -2.778 3.222 1.00 0.00 C ATOM 354 CD2 TYR A 25 -2.284 -4.186 1.291 1.00 0.00 C ATOM 355 CE1 TYR A 25 -3.260 -1.958 2.658 1.00 0.00 C ATOM 356 CE2 TYR A 25 -3.324 -3.365 0.727 1.00 0.00 C ATOM 357 CZ TYR A 25 -3.761 -2.292 1.438 1.00 0.00 C ATOM 358 OH TYR A 25 -4.744 -1.516 0.906 1.00 0.00 O ATOM 0 H TYR A 25 -1.322 -4.611 5.943 1.00 0.00 H new ATOM 0 HA TYR A 25 -1.775 -6.517 3.764 1.00 0.00 H new ATOM 0 HB2 TYR A 25 0.109 -4.101 3.570 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -0.162 -5.302 2.323 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -1.805 -2.535 4.189 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -1.919 -5.045 0.747 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -3.634 -1.097 3.191 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -3.747 -3.597 -0.239 1.00 0.00 H new ATOM 0 HH TYR A 25 -5.619 -1.878 1.158 1.00 0.00 H new ATOM 368 N SER A 26 0.401 -7.585 4.306 1.00 0.00 N ATOM 369 CA SER A 26 1.528 -8.343 4.821 1.00 0.00 C ATOM 370 C SER A 26 2.841 -7.691 4.382 1.00 0.00 C ATOM 371 O SER A 26 2.922 -7.119 3.296 1.00 0.00 O ATOM 372 CB SER A 26 1.475 -9.798 4.350 1.00 0.00 C ATOM 373 OG SER A 26 2.633 -10.529 4.743 1.00 0.00 O ATOM 0 H SER A 26 -0.090 -8.026 3.528 1.00 0.00 H new ATOM 0 HA SER A 26 1.474 -8.340 5.910 1.00 0.00 H new ATOM 0 HB2 SER A 26 0.587 -10.279 4.759 1.00 0.00 H new ATOM 0 HB3 SER A 26 1.381 -9.824 3.264 1.00 0.00 H new ATOM 0 HG SER A 26 2.560 -11.453 4.425 1.00 0.00 H new ATOM 379 N ARG A 27 3.837 -7.800 5.249 1.00 0.00 N ATOM 380 CA ARG A 27 5.143 -7.228 4.965 1.00 0.00 C ATOM 381 C ARG A 27 5.882 -8.081 3.932 1.00 0.00 C ATOM 382 O ARG A 27 6.998 -7.750 3.533 1.00 0.00 O ATOM 383 CB ARG A 27 5.989 -7.129 6.235 1.00 0.00 C ATOM 384 CG ARG A 27 5.549 -5.944 7.097 1.00 0.00 C ATOM 385 CD ARG A 27 6.549 -5.686 8.226 1.00 0.00 C ATOM 386 NE ARG A 27 6.957 -4.263 8.225 1.00 0.00 N ATOM 387 CZ ARG A 27 7.996 -3.779 8.919 1.00 0.00 C ATOM 388 NH1 ARG A 27 8.738 -4.601 9.674 1.00 0.00 N ATOM 389 NH2 ARG A 27 8.293 -2.474 8.859 1.00 0.00 N ATOM 0 H ARG A 27 3.766 -8.276 6.148 1.00 0.00 H new ATOM 0 HA ARG A 27 4.987 -6.225 4.568 1.00 0.00 H new ATOM 0 HB2 ARG A 27 5.901 -8.052 6.808 1.00 0.00 H new ATOM 0 HB3 ARG A 27 7.040 -7.019 5.968 1.00 0.00 H new ATOM 0 HG2 ARG A 27 5.458 -5.052 6.477 1.00 0.00 H new ATOM 0 HG3 ARG A 27 4.563 -6.142 7.518 1.00 0.00 H new ATOM 0 HD2 ARG A 27 6.101 -5.944 9.186 1.00 0.00 H new ATOM 0 HD3 ARG A 27 7.424 -6.324 8.101 1.00 0.00 H new ATOM 0 HE ARG A 27 6.413 -3.610 7.661 1.00 0.00 H new ATOM 0 HH11 ARG A 27 8.512 -5.595 9.720 1.00 0.00 H new ATOM 0 HH12 ARG A 27 9.529 -4.233 10.202 1.00 0.00 H new ATOM 0 HH21 ARG A 27 7.728 -1.848 8.285 1.00 0.00 H new ATOM 0 HH22 ARG A 27 9.084 -2.106 9.388 1.00 0.00 H new ATOM 403 N SER A 28 5.231 -9.163 3.530 1.00 0.00 N ATOM 404 CA SER A 28 5.813 -10.065 2.551 1.00 0.00 C ATOM 405 C SER A 28 5.168 -9.841 1.182 1.00 0.00 C ATOM 406 O SER A 28 5.524 -10.502 0.208 1.00 0.00 O ATOM 407 CB SER A 28 5.650 -11.524 2.982 1.00 0.00 C ATOM 408 OG SER A 28 6.232 -11.772 4.259 1.00 0.00 O ATOM 0 H SER A 28 4.307 -9.435 3.864 1.00 0.00 H new ATOM 0 HA SER A 28 6.880 -9.851 2.481 1.00 0.00 H new ATOM 0 HB2 SER A 28 4.590 -11.777 3.011 1.00 0.00 H new ATOM 0 HB3 SER A 28 6.113 -12.175 2.240 1.00 0.00 H new ATOM 0 HG SER A 28 6.105 -12.714 4.499 1.00 0.00 H new ATOM 414 N LEU A 29 4.229 -8.906 1.153 1.00 0.00 N ATOM 415 CA LEU A 29 3.530 -8.586 -0.080 1.00 0.00 C ATOM 416 C LEU A 29 4.459 -7.785 -0.995 1.00 0.00 C ATOM 417 O LEU A 29 4.927 -6.710 -0.622 1.00 0.00 O ATOM 418 CB LEU A 29 2.207 -7.881 0.221 1.00 0.00 C ATOM 419 CG LEU A 29 0.958 -8.765 0.208 1.00 0.00 C ATOM 420 CD1 LEU A 29 -0.293 -7.952 0.551 1.00 0.00 C ATOM 421 CD2 LEU A 29 0.817 -9.495 -1.129 1.00 0.00 C ATOM 0 H LEU A 29 3.936 -8.360 1.963 1.00 0.00 H new ATOM 0 HA LEU A 29 3.264 -9.498 -0.614 1.00 0.00 H new ATOM 0 HB2 LEU A 29 2.284 -7.409 1.201 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.070 -7.082 -0.507 1.00 0.00 H new ATOM 0 HG LEU A 29 1.070 -9.526 0.981 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -1.166 -8.604 0.535 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.183 -7.517 1.544 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.421 -7.155 -0.182 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.078 -10.116 -1.112 1.00 0.00 H new ATOM 0 HD22 LEU A 29 0.737 -8.766 -1.935 1.00 0.00 H new ATOM 0 HD23 LEU A 29 1.692 -10.124 -1.294 1.00 0.00 H new ATOM 433 N THR A 30 4.699 -8.339 -2.174 1.00 0.00 N ATOM 434 CA THR A 30 5.564 -7.690 -3.144 1.00 0.00 C ATOM 435 C THR A 30 4.954 -6.362 -3.598 1.00 0.00 C ATOM 436 O THR A 30 3.779 -6.305 -3.957 1.00 0.00 O ATOM 437 CB THR A 30 5.806 -8.671 -4.293 1.00 0.00 C ATOM 438 OG1 THR A 30 4.510 -8.890 -4.842 1.00 0.00 O ATOM 439 CG2 THR A 30 6.241 -10.053 -3.801 1.00 0.00 C ATOM 0 H THR A 30 4.309 -9.231 -2.480 1.00 0.00 H new ATOM 0 HA THR A 30 6.529 -7.436 -2.705 1.00 0.00 H new ATOM 0 HB THR A 30 6.567 -8.267 -4.960 1.00 0.00 H new ATOM 0 HG1 THR A 30 4.575 -9.514 -5.595 1.00 0.00 H new ATOM 0 HG21 THR A 30 6.399 -10.710 -4.656 1.00 0.00 H new ATOM 0 HG22 THR A 30 7.169 -9.963 -3.236 1.00 0.00 H new ATOM 0 HG23 THR A 30 5.465 -10.472 -3.160 1.00 0.00 H new ATOM 447 N ILE A 31 5.780 -5.327 -3.567 1.00 0.00 N ATOM 448 CA ILE A 31 5.337 -4.003 -3.970 1.00 0.00 C ATOM 449 C ILE A 31 4.386 -4.130 -5.162 1.00 0.00 C ATOM 450 O ILE A 31 3.363 -3.450 -5.219 1.00 0.00 O ATOM 451 CB ILE A 31 6.538 -3.094 -4.236 1.00 0.00 C ATOM 452 CG1 ILE A 31 7.414 -2.964 -2.988 1.00 0.00 C ATOM 453 CG2 ILE A 31 6.087 -1.730 -4.764 1.00 0.00 C ATOM 454 CD1 ILE A 31 6.605 -2.432 -1.803 1.00 0.00 C ATOM 0 H ILE A 31 6.754 -5.378 -3.269 1.00 0.00 H new ATOM 0 HA ILE A 31 4.778 -3.526 -3.165 1.00 0.00 H new ATOM 0 HB ILE A 31 7.149 -3.554 -5.012 1.00 0.00 H new ATOM 0 HG12 ILE A 31 7.840 -3.935 -2.735 1.00 0.00 H new ATOM 0 HG13 ILE A 31 8.249 -2.294 -3.193 1.00 0.00 H new ATOM 0 HG21 ILE A 31 6.960 -1.103 -4.945 1.00 0.00 H new ATOM 0 HG22 ILE A 31 5.537 -1.864 -5.696 1.00 0.00 H new ATOM 0 HG23 ILE A 31 5.442 -1.250 -4.028 1.00 0.00 H new ATOM 0 HD11 ILE A 31 7.251 -2.349 -0.929 1.00 0.00 H new ATOM 0 HD12 ILE A 31 6.201 -1.450 -2.050 1.00 0.00 H new ATOM 0 HD13 ILE A 31 5.786 -3.117 -1.585 1.00 0.00 H new ATOM 466 N ALA A 32 4.758 -5.005 -6.085 1.00 0.00 N ATOM 467 CA ALA A 32 3.951 -5.229 -7.272 1.00 0.00 C ATOM 468 C ALA A 32 2.559 -5.706 -6.854 1.00 0.00 C ATOM 469 O ALA A 32 1.553 -5.130 -7.265 1.00 0.00 O ATOM 470 CB ALA A 32 4.659 -6.229 -8.189 1.00 0.00 C ATOM 0 H ALA A 32 5.608 -5.567 -6.035 1.00 0.00 H new ATOM 0 HA ALA A 32 3.827 -4.303 -7.833 1.00 0.00 H new ATOM 0 HB1 ALA A 32 4.054 -6.397 -9.080 1.00 0.00 H new ATOM 0 HB2 ALA A 32 5.631 -5.831 -8.480 1.00 0.00 H new ATOM 0 HB3 ALA A 32 4.797 -7.172 -7.661 1.00 0.00 H new ATOM 476 N GLU A 33 2.546 -6.754 -6.043 1.00 0.00 N ATOM 477 CA GLU A 33 1.293 -7.314 -5.565 1.00 0.00 C ATOM 478 C GLU A 33 0.523 -6.274 -4.749 1.00 0.00 C ATOM 479 O GLU A 33 -0.636 -5.984 -5.042 1.00 0.00 O ATOM 480 CB GLU A 33 1.538 -8.583 -4.746 1.00 0.00 C ATOM 481 CG GLU A 33 1.750 -9.792 -5.658 1.00 0.00 C ATOM 482 CD GLU A 33 0.433 -10.528 -5.909 1.00 0.00 C ATOM 483 OE1 GLU A 33 0.092 -11.386 -5.066 1.00 0.00 O ATOM 484 OE2 GLU A 33 -0.204 -10.216 -6.939 1.00 0.00 O ATOM 0 H GLU A 33 3.383 -7.230 -5.705 1.00 0.00 H new ATOM 0 HA GLU A 33 0.687 -7.589 -6.428 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.412 -8.446 -4.109 1.00 0.00 H new ATOM 0 HB3 GLU A 33 0.689 -8.764 -4.087 1.00 0.00 H new ATOM 0 HG2 GLU A 33 2.175 -9.466 -6.607 1.00 0.00 H new ATOM 0 HG3 GLU A 33 2.470 -10.473 -5.204 1.00 0.00 H new ATOM 491 N PHE A 34 1.198 -5.741 -3.741 1.00 0.00 N ATOM 492 CA PHE A 34 0.592 -4.740 -2.881 1.00 0.00 C ATOM 493 C PHE A 34 -0.308 -3.798 -3.685 1.00 0.00 C ATOM 494 O PHE A 34 -1.499 -3.681 -3.403 1.00 0.00 O ATOM 495 CB PHE A 34 1.734 -3.931 -2.263 1.00 0.00 C ATOM 496 CG PHE A 34 1.275 -2.880 -1.250 1.00 0.00 C ATOM 497 CD1 PHE A 34 0.012 -2.927 -0.746 1.00 0.00 C ATOM 498 CD2 PHE A 34 2.129 -1.899 -0.853 1.00 0.00 C ATOM 499 CE1 PHE A 34 -0.414 -1.951 0.194 1.00 0.00 C ATOM 500 CE2 PHE A 34 1.703 -0.924 0.087 1.00 0.00 C ATOM 501 CZ PHE A 34 0.440 -0.971 0.591 1.00 0.00 C ATOM 0 H PHE A 34 2.159 -5.984 -3.501 1.00 0.00 H new ATOM 0 HA PHE A 34 -0.021 -5.224 -2.121 1.00 0.00 H new ATOM 0 HB2 PHE A 34 2.426 -4.615 -1.773 1.00 0.00 H new ATOM 0 HB3 PHE A 34 2.287 -3.435 -3.060 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -0.666 -3.706 -1.061 1.00 0.00 H new ATOM 0 HD2 PHE A 34 3.132 -1.862 -1.253 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -1.417 -1.988 0.593 1.00 0.00 H new ATOM 0 HE2 PHE A 34 2.381 -0.145 0.402 1.00 0.00 H new ATOM 0 HZ PHE A 34 0.116 -0.230 1.306 1.00 0.00 H new ATOM 511 N LYS A 35 0.297 -3.151 -4.670 1.00 0.00 N ATOM 512 CA LYS A 35 -0.434 -2.224 -5.516 1.00 0.00 C ATOM 513 C LYS A 35 -1.707 -2.902 -6.027 1.00 0.00 C ATOM 514 O LYS A 35 -2.780 -2.301 -6.020 1.00 0.00 O ATOM 515 CB LYS A 35 0.468 -1.690 -6.630 1.00 0.00 C ATOM 516 CG LYS A 35 1.660 -0.925 -6.052 1.00 0.00 C ATOM 517 CD LYS A 35 2.774 -0.778 -7.090 1.00 0.00 C ATOM 518 CE LYS A 35 3.874 0.158 -6.585 1.00 0.00 C ATOM 519 NZ LYS A 35 4.773 0.547 -7.695 1.00 0.00 N ATOM 0 H LYS A 35 1.285 -3.251 -4.901 1.00 0.00 H new ATOM 0 HA LYS A 35 -0.745 -1.350 -4.944 1.00 0.00 H new ATOM 0 HB2 LYS A 35 0.825 -2.518 -7.242 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -0.106 -1.035 -7.285 1.00 0.00 H new ATOM 0 HG2 LYS A 35 1.337 0.061 -5.719 1.00 0.00 H new ATOM 0 HG3 LYS A 35 2.042 -1.448 -5.175 1.00 0.00 H new ATOM 0 HD2 LYS A 35 3.199 -1.757 -7.314 1.00 0.00 H new ATOM 0 HD3 LYS A 35 2.360 -0.390 -8.021 1.00 0.00 H new ATOM 0 HE2 LYS A 35 3.427 1.048 -6.142 1.00 0.00 H new ATOM 0 HE3 LYS A 35 4.448 -0.335 -5.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 5.504 1.196 -7.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 5.226 -0.302 -8.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 4.222 1.021 -8.438 1.00 0.00 H new ATOM 533 N CYS A 36 -1.545 -4.144 -6.459 1.00 0.00 N ATOM 534 CA CYS A 36 -2.668 -4.910 -6.973 1.00 0.00 C ATOM 535 C CYS A 36 -3.775 -4.905 -5.918 1.00 0.00 C ATOM 536 O CYS A 36 -4.957 -4.831 -6.253 1.00 0.00 O ATOM 537 CB CYS A 36 -2.253 -6.331 -7.359 1.00 0.00 C ATOM 538 SG CYS A 36 -3.257 -6.912 -8.775 1.00 0.00 S ATOM 0 H CYS A 36 -0.653 -4.639 -6.464 1.00 0.00 H new ATOM 0 HA CYS A 36 -3.038 -4.449 -7.889 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -1.195 -6.352 -7.620 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -2.385 -7.001 -6.509 1.00 0.00 H new ATOM 0 HG CYS A 36 -3.655 -5.890 -9.473 1.00 0.00 H new ATOM 544 N LYS A 37 -3.355 -4.985 -4.664 1.00 0.00 N ATOM 545 CA LYS A 37 -4.296 -4.990 -3.557 1.00 0.00 C ATOM 546 C LYS A 37 -4.928 -3.603 -3.423 1.00 0.00 C ATOM 547 O LYS A 37 -6.081 -3.479 -3.015 1.00 0.00 O ATOM 548 CB LYS A 37 -3.617 -5.483 -2.278 1.00 0.00 C ATOM 549 CG LYS A 37 -3.513 -7.010 -2.265 1.00 0.00 C ATOM 550 CD LYS A 37 -2.137 -7.470 -2.752 1.00 0.00 C ATOM 551 CE LYS A 37 -2.267 -8.607 -3.768 1.00 0.00 C ATOM 552 NZ LYS A 37 -3.307 -8.289 -4.772 1.00 0.00 N ATOM 0 H LYS A 37 -2.374 -5.047 -4.390 1.00 0.00 H new ATOM 0 HA LYS A 37 -5.107 -5.692 -3.750 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -2.621 -5.047 -2.199 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -4.182 -5.146 -1.409 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -3.688 -7.381 -1.255 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -4.289 -7.436 -2.901 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -1.609 -6.631 -3.205 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -1.539 -7.802 -1.903 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -1.311 -8.769 -4.265 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -2.521 -9.534 -3.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -3.024 -8.671 -5.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -4.210 -8.715 -4.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -3.418 -7.257 -4.842 1.00 0.00 H new ATOM 566 N LEU A 38 -4.143 -2.595 -3.774 1.00 0.00 N ATOM 567 CA LEU A 38 -4.611 -1.221 -3.698 1.00 0.00 C ATOM 568 C LEU A 38 -5.577 -0.951 -4.853 1.00 0.00 C ATOM 569 O LEU A 38 -6.468 -0.111 -4.738 1.00 0.00 O ATOM 570 CB LEU A 38 -3.426 -0.254 -3.647 1.00 0.00 C ATOM 571 CG LEU A 38 -2.309 -0.612 -2.665 1.00 0.00 C ATOM 572 CD1 LEU A 38 -1.156 0.389 -2.758 1.00 0.00 C ATOM 573 CD2 LEU A 38 -2.850 -0.732 -1.239 1.00 0.00 C ATOM 0 H LEU A 38 -3.186 -2.702 -4.112 1.00 0.00 H new ATOM 0 HA LEU A 38 -5.166 -1.058 -2.774 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.996 -0.185 -4.646 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -3.802 0.737 -3.393 1.00 0.00 H new ATOM 0 HG LEU A 38 -1.911 -1.588 -2.942 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.375 0.112 -2.050 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.748 0.381 -3.769 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -1.522 1.388 -2.522 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -2.035 -0.987 -0.561 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -3.290 0.218 -0.936 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -3.610 -1.512 -1.203 1.00 0.00 H new ATOM 585 N GLU A 39 -5.367 -1.679 -5.940 1.00 0.00 N ATOM 586 CA GLU A 39 -6.208 -1.529 -7.115 1.00 0.00 C ATOM 587 C GLU A 39 -7.686 -1.570 -6.719 1.00 0.00 C ATOM 588 O GLU A 39 -8.532 -0.998 -7.405 1.00 0.00 O ATOM 589 CB GLU A 39 -5.890 -2.602 -8.158 1.00 0.00 C ATOM 590 CG GLU A 39 -4.488 -2.405 -8.737 1.00 0.00 C ATOM 591 CD GLU A 39 -4.214 -3.404 -9.863 1.00 0.00 C ATOM 592 OE1 GLU A 39 -4.634 -4.570 -9.701 1.00 0.00 O ATOM 593 OE2 GLU A 39 -3.591 -2.979 -10.860 1.00 0.00 O ATOM 0 H GLU A 39 -4.626 -2.374 -6.031 1.00 0.00 H new ATOM 0 HA GLU A 39 -5.999 -0.559 -7.565 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -5.964 -3.590 -7.703 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -6.627 -2.564 -8.960 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -4.387 -1.388 -9.116 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -3.745 -2.527 -7.949 1.00 0.00 H new ATOM 600 N LEU A 40 -7.951 -2.252 -5.615 1.00 0.00 N ATOM 601 CA LEU A 40 -9.311 -2.376 -5.120 1.00 0.00 C ATOM 602 C LEU A 40 -9.579 -1.269 -4.098 1.00 0.00 C ATOM 603 O LEU A 40 -10.725 -0.869 -3.897 1.00 0.00 O ATOM 604 CB LEU A 40 -9.559 -3.785 -4.579 1.00 0.00 C ATOM 605 CG LEU A 40 -9.898 -3.883 -3.091 1.00 0.00 C ATOM 606 CD1 LEU A 40 -11.353 -3.487 -2.833 1.00 0.00 C ATOM 607 CD2 LEU A 40 -9.578 -5.276 -2.545 1.00 0.00 C ATOM 0 H LEU A 40 -7.246 -2.725 -5.049 1.00 0.00 H new ATOM 0 HA LEU A 40 -10.026 -2.242 -5.932 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -10.375 -4.232 -5.147 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.670 -4.387 -4.769 1.00 0.00 H new ATOM 0 HG LEU A 40 -9.270 -3.174 -2.551 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -11.568 -3.565 -1.767 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -11.514 -2.460 -3.161 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -12.015 -4.153 -3.387 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -9.829 -5.318 -1.485 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -10.161 -6.021 -3.085 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -8.516 -5.483 -2.675 1.00 0.00 H new ATOM 619 N VAL A 41 -8.504 -0.807 -3.478 1.00 0.00 N ATOM 620 CA VAL A 41 -8.609 0.246 -2.481 1.00 0.00 C ATOM 621 C VAL A 41 -8.908 1.574 -3.179 1.00 0.00 C ATOM 622 O VAL A 41 -9.805 2.308 -2.766 1.00 0.00 O ATOM 623 CB VAL A 41 -7.337 0.290 -1.631 1.00 0.00 C ATOM 624 CG1 VAL A 41 -7.481 1.290 -0.482 1.00 0.00 C ATOM 625 CG2 VAL A 41 -6.981 -1.102 -1.105 1.00 0.00 C ATOM 0 H VAL A 41 -7.555 -1.142 -3.646 1.00 0.00 H new ATOM 0 HA VAL A 41 -9.434 0.045 -1.797 1.00 0.00 H new ATOM 0 HB VAL A 41 -6.519 0.627 -2.268 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -6.564 1.302 0.107 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -7.666 2.285 -0.887 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -8.316 0.996 0.154 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -6.073 -1.043 -0.504 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -7.799 -1.479 -0.491 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -6.817 -1.777 -1.945 1.00 0.00 H new ATOM 635 N VAL A 42 -8.140 1.844 -4.224 1.00 0.00 N ATOM 636 CA VAL A 42 -8.312 3.071 -4.982 1.00 0.00 C ATOM 637 C VAL A 42 -9.259 2.812 -6.155 1.00 0.00 C ATOM 638 O VAL A 42 -10.008 3.700 -6.561 1.00 0.00 O ATOM 639 CB VAL A 42 -6.949 3.609 -5.422 1.00 0.00 C ATOM 640 CG1 VAL A 42 -6.302 4.438 -4.311 1.00 0.00 C ATOM 641 CG2 VAL A 42 -6.027 2.472 -5.865 1.00 0.00 C ATOM 0 H VAL A 42 -7.397 1.234 -4.564 1.00 0.00 H new ATOM 0 HA VAL A 42 -8.767 3.843 -4.361 1.00 0.00 H new ATOM 0 HB VAL A 42 -7.109 4.263 -6.279 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -5.334 4.808 -4.650 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -6.947 5.281 -4.064 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -6.163 3.816 -3.427 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -5.065 2.882 -6.173 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -5.878 1.780 -5.036 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -6.480 1.942 -6.703 1.00 0.00 H new ATOM 651 N GLY A 43 -9.196 1.592 -6.668 1.00 0.00 N ATOM 652 CA GLY A 43 -10.039 1.205 -7.786 1.00 0.00 C ATOM 653 C GLY A 43 -9.311 1.407 -9.117 1.00 0.00 C ATOM 654 O GLY A 43 -9.814 1.016 -10.169 1.00 0.00 O ATOM 0 H GLY A 43 -8.574 0.858 -6.330 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -10.330 0.160 -7.682 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -10.956 1.794 -7.776 1.00 0.00 H new ATOM 658 N SER A 44 -8.138 2.017 -9.027 1.00 0.00 N ATOM 659 CA SER A 44 -7.336 2.275 -10.211 1.00 0.00 C ATOM 660 C SER A 44 -6.307 1.159 -10.399 1.00 0.00 C ATOM 661 O SER A 44 -6.030 0.402 -9.470 1.00 0.00 O ATOM 662 CB SER A 44 -6.636 3.632 -10.116 1.00 0.00 C ATOM 663 OG SER A 44 -7.363 4.553 -9.308 1.00 0.00 O ATOM 0 H SER A 44 -7.724 2.340 -8.153 1.00 0.00 H new ATOM 0 HA SER A 44 -7.999 2.298 -11.076 1.00 0.00 H new ATOM 0 HB2 SER A 44 -5.637 3.496 -9.701 1.00 0.00 H new ATOM 0 HB3 SER A 44 -6.512 4.047 -11.116 1.00 0.00 H new ATOM 0 HG SER A 44 -6.882 5.406 -9.271 1.00 0.00 H new ATOM 669 N PRO A 45 -5.754 1.090 -11.640 1.00 0.00 N ATOM 670 CA PRO A 45 -4.761 0.079 -11.962 1.00 0.00 C ATOM 671 C PRO A 45 -3.407 0.423 -11.339 1.00 0.00 C ATOM 672 O PRO A 45 -2.973 1.573 -11.384 1.00 0.00 O ATOM 673 CB PRO A 45 -4.723 0.036 -13.481 1.00 0.00 C ATOM 674 CG PRO A 45 -5.349 1.339 -13.951 1.00 0.00 C ATOM 675 CD PRO A 45 -6.058 1.970 -12.764 1.00 0.00 C ATOM 0 HA PRO A 45 -5.010 -0.901 -11.555 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -3.699 -0.059 -13.843 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -5.276 -0.823 -13.861 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -4.584 2.011 -14.340 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -6.053 1.153 -14.762 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -5.700 2.983 -12.582 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -7.132 2.038 -12.935 1.00 0.00 H new ATOM 683 N ALA A 46 -2.776 -0.596 -10.773 1.00 0.00 N ATOM 684 CA ALA A 46 -1.480 -0.416 -10.142 1.00 0.00 C ATOM 685 C ALA A 46 -0.445 -0.050 -11.208 1.00 0.00 C ATOM 686 O ALA A 46 0.671 0.352 -10.883 1.00 0.00 O ATOM 687 CB ALA A 46 -1.104 -1.686 -9.377 1.00 0.00 C ATOM 0 H ALA A 46 -3.139 -1.549 -10.739 1.00 0.00 H new ATOM 0 HA ALA A 46 -1.514 0.401 -9.421 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -0.132 -1.551 -8.903 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -1.855 -1.886 -8.613 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.057 -2.527 -10.069 1.00 0.00 H new ATOM 693 N SER A 47 -0.852 -0.203 -12.460 1.00 0.00 N ATOM 694 CA SER A 47 0.026 0.107 -13.575 1.00 0.00 C ATOM 695 C SER A 47 -0.102 1.586 -13.947 1.00 0.00 C ATOM 696 O SER A 47 0.606 2.071 -14.828 1.00 0.00 O ATOM 697 CB SER A 47 -0.291 -0.773 -14.786 1.00 0.00 C ATOM 698 OG SER A 47 -0.406 -0.011 -15.985 1.00 0.00 O ATOM 0 H SER A 47 -1.778 -0.538 -12.726 1.00 0.00 H new ATOM 0 HA SER A 47 1.052 -0.097 -13.269 1.00 0.00 H new ATOM 0 HB2 SER A 47 0.493 -1.521 -14.906 1.00 0.00 H new ATOM 0 HB3 SER A 47 -1.222 -1.312 -14.609 1.00 0.00 H new ATOM 0 HG SER A 47 0.253 0.714 -15.976 1.00 0.00 H new ATOM 704 N CYS A 48 -1.008 2.261 -13.255 1.00 0.00 N ATOM 705 CA CYS A 48 -1.237 3.674 -13.501 1.00 0.00 C ATOM 706 C CYS A 48 -1.388 4.379 -12.151 1.00 0.00 C ATOM 707 O CYS A 48 -2.082 5.389 -12.049 1.00 0.00 O ATOM 708 CB CYS A 48 -2.451 3.902 -14.403 1.00 0.00 C ATOM 709 SG CYS A 48 -2.204 3.062 -16.010 1.00 0.00 S ATOM 0 H CYS A 48 -1.592 1.855 -12.524 1.00 0.00 H new ATOM 0 HA CYS A 48 -0.386 4.095 -14.036 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -3.350 3.521 -13.919 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -2.601 4.970 -14.561 1.00 0.00 H new ATOM 0 HG CYS A 48 -3.242 3.260 -16.767 1.00 0.00 H new ATOM 715 N MET A 49 -0.728 3.817 -11.149 1.00 0.00 N ATOM 716 CA MET A 49 -0.781 4.378 -9.810 1.00 0.00 C ATOM 717 C MET A 49 0.556 4.198 -9.087 1.00 0.00 C ATOM 718 O MET A 49 1.114 3.102 -9.071 1.00 0.00 O ATOM 719 CB MET A 49 -1.890 3.691 -9.011 1.00 0.00 C ATOM 720 CG MET A 49 -1.320 2.976 -7.784 1.00 0.00 C ATOM 721 SD MET A 49 -2.648 2.426 -6.726 1.00 0.00 S ATOM 722 CE MET A 49 -3.312 1.103 -7.725 1.00 0.00 C ATOM 0 H MET A 49 -0.154 2.979 -11.238 1.00 0.00 H new ATOM 0 HA MET A 49 -0.988 5.445 -9.892 1.00 0.00 H new ATOM 0 HB2 MET A 49 -2.627 4.430 -8.696 1.00 0.00 H new ATOM 0 HB3 MET A 49 -2.409 2.973 -9.646 1.00 0.00 H new ATOM 0 HG2 MET A 49 -0.717 2.124 -8.097 1.00 0.00 H new ATOM 0 HG3 MET A 49 -0.661 3.648 -7.235 1.00 0.00 H new ATOM 0 HE1 MET A 49 -4.265 0.776 -7.309 1.00 0.00 H new ATOM 0 HE2 MET A 49 -3.463 1.458 -8.744 1.00 0.00 H new ATOM 0 HE3 MET A 49 -2.613 0.266 -7.732 1.00 0.00 H new ATOM 732 N GLU A 50 1.030 5.291 -8.508 1.00 0.00 N ATOM 733 CA GLU A 50 2.291 5.267 -7.785 1.00 0.00 C ATOM 734 C GLU A 50 2.038 5.159 -6.280 1.00 0.00 C ATOM 735 O GLU A 50 0.907 5.323 -5.823 1.00 0.00 O ATOM 736 CB GLU A 50 3.133 6.502 -8.112 1.00 0.00 C ATOM 737 CG GLU A 50 4.539 6.102 -8.563 1.00 0.00 C ATOM 738 CD GLU A 50 4.501 5.406 -9.925 1.00 0.00 C ATOM 739 OE1 GLU A 50 4.232 4.185 -9.931 1.00 0.00 O ATOM 740 OE2 GLU A 50 4.741 6.110 -10.930 1.00 0.00 O ATOM 0 H GLU A 50 0.564 6.198 -8.524 1.00 0.00 H new ATOM 0 HA GLU A 50 2.853 4.389 -8.103 1.00 0.00 H new ATOM 0 HB2 GLU A 50 2.646 7.081 -8.897 1.00 0.00 H new ATOM 0 HB3 GLU A 50 3.198 7.145 -7.235 1.00 0.00 H new ATOM 0 HG2 GLU A 50 5.172 6.988 -8.621 1.00 0.00 H new ATOM 0 HG3 GLU A 50 4.987 5.438 -7.824 1.00 0.00 H new ATOM 747 N LEU A 51 3.109 4.884 -5.550 1.00 0.00 N ATOM 748 CA LEU A 51 3.017 4.753 -4.106 1.00 0.00 C ATOM 749 C LEU A 51 4.002 5.720 -3.446 1.00 0.00 C ATOM 750 O LEU A 51 4.993 6.116 -4.058 1.00 0.00 O ATOM 751 CB LEU A 51 3.214 3.294 -3.688 1.00 0.00 C ATOM 752 CG LEU A 51 2.112 2.321 -4.109 1.00 0.00 C ATOM 753 CD1 LEU A 51 2.361 0.926 -3.530 1.00 0.00 C ATOM 754 CD2 LEU A 51 0.731 2.860 -3.730 1.00 0.00 C ATOM 0 H LEU A 51 4.045 4.748 -5.932 1.00 0.00 H new ATOM 0 HA LEU A 51 2.020 5.029 -3.761 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.159 2.943 -4.102 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.308 3.257 -2.603 1.00 0.00 H new ATOM 0 HG LEU A 51 2.135 2.228 -5.195 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.563 0.254 -3.845 1.00 0.00 H new ATOM 0 HD12 LEU A 51 3.317 0.548 -3.891 1.00 0.00 H new ATOM 0 HD13 LEU A 51 2.380 0.982 -2.442 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.035 2.149 -4.040 1.00 0.00 H new ATOM 0 HD22 LEU A 51 0.679 3.001 -2.650 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.564 3.815 -4.229 1.00 0.00 H new ATOM 766 N GLU A 52 3.694 6.073 -2.207 1.00 0.00 N ATOM 767 CA GLU A 52 4.540 6.987 -1.458 1.00 0.00 C ATOM 768 C GLU A 52 4.650 6.534 -0.001 1.00 0.00 C ATOM 769 O GLU A 52 3.671 6.077 0.587 1.00 0.00 O ATOM 770 CB GLU A 52 4.013 8.421 -1.548 1.00 0.00 C ATOM 771 CG GLU A 52 4.390 9.061 -2.885 1.00 0.00 C ATOM 772 CD GLU A 52 5.547 10.047 -2.714 1.00 0.00 C ATOM 773 OE1 GLU A 52 5.504 10.805 -1.721 1.00 0.00 O ATOM 774 OE2 GLU A 52 6.449 10.020 -3.579 1.00 0.00 O ATOM 0 H GLU A 52 2.871 5.743 -1.703 1.00 0.00 H new ATOM 0 HA GLU A 52 5.537 6.973 -1.899 1.00 0.00 H new ATOM 0 HB2 GLU A 52 2.929 8.422 -1.433 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.421 9.014 -0.729 1.00 0.00 H new ATOM 0 HG2 GLU A 52 4.671 8.285 -3.597 1.00 0.00 H new ATOM 0 HG3 GLU A 52 3.525 9.578 -3.301 1.00 0.00 H new ATOM 781 N LEU A 53 5.851 6.676 0.541 1.00 0.00 N ATOM 782 CA LEU A 53 6.102 6.287 1.918 1.00 0.00 C ATOM 783 C LEU A 53 6.383 7.537 2.753 1.00 0.00 C ATOM 784 O LEU A 53 7.437 8.157 2.616 1.00 0.00 O ATOM 785 CB LEU A 53 7.216 5.240 1.984 1.00 0.00 C ATOM 786 CG LEU A 53 7.817 4.987 3.368 1.00 0.00 C ATOM 787 CD1 LEU A 53 6.728 4.636 4.383 1.00 0.00 C ATOM 788 CD2 LEU A 53 8.908 3.916 3.305 1.00 0.00 C ATOM 0 H LEU A 53 6.661 7.055 0.051 1.00 0.00 H new ATOM 0 HA LEU A 53 5.221 5.809 2.346 1.00 0.00 H new ATOM 0 HB2 LEU A 53 6.825 4.297 1.602 1.00 0.00 H new ATOM 0 HB3 LEU A 53 8.017 5.548 1.312 1.00 0.00 H new ATOM 0 HG LEU A 53 8.290 5.908 3.708 1.00 0.00 H new ATOM 0 HD11 LEU A 53 7.182 4.461 5.358 1.00 0.00 H new ATOM 0 HD12 LEU A 53 6.019 5.461 4.456 1.00 0.00 H new ATOM 0 HD13 LEU A 53 6.206 3.736 4.059 1.00 0.00 H new ATOM 0 HD21 LEU A 53 9.318 3.756 4.302 1.00 0.00 H new ATOM 0 HD22 LEU A 53 8.482 2.984 2.934 1.00 0.00 H new ATOM 0 HD23 LEU A 53 9.702 4.244 2.634 1.00 0.00 H new ATOM 800 N TYR A 54 5.422 7.872 3.601 1.00 0.00 N ATOM 801 CA TYR A 54 5.552 9.037 4.459 1.00 0.00 C ATOM 802 C TYR A 54 5.883 8.627 5.895 1.00 0.00 C ATOM 803 O TYR A 54 5.389 7.612 6.384 1.00 0.00 O ATOM 804 CB TYR A 54 4.188 9.730 4.441 1.00 0.00 C ATOM 805 CG TYR A 54 3.858 10.420 3.116 1.00 0.00 C ATOM 806 CD1 TYR A 54 3.326 9.692 2.072 1.00 0.00 C ATOM 807 CD2 TYR A 54 4.094 11.772 2.965 1.00 0.00 C ATOM 808 CE1 TYR A 54 3.016 10.342 0.825 1.00 0.00 C ATOM 809 CE2 TYR A 54 3.784 12.422 1.718 1.00 0.00 C ATOM 810 CZ TYR A 54 3.260 11.675 0.709 1.00 0.00 C ATOM 811 OH TYR A 54 2.967 12.289 -0.468 1.00 0.00 O ATOM 0 H TYR A 54 4.549 7.356 3.712 1.00 0.00 H new ATOM 0 HA TYR A 54 6.354 9.685 4.106 1.00 0.00 H new ATOM 0 HB2 TYR A 54 3.415 8.993 4.658 1.00 0.00 H new ATOM 0 HB3 TYR A 54 4.157 10.469 5.241 1.00 0.00 H new ATOM 0 HD1 TYR A 54 3.142 8.634 2.190 1.00 0.00 H new ATOM 0 HD2 TYR A 54 4.511 12.342 3.782 1.00 0.00 H new ATOM 0 HE1 TYR A 54 2.599 9.783 0.000 1.00 0.00 H new ATOM 0 HE2 TYR A 54 3.963 13.479 1.587 1.00 0.00 H new ATOM 0 HH TYR A 54 3.623 12.025 -1.147 1.00 0.00 H new ATOM 821 N GLY A 55 6.717 9.437 6.531 1.00 0.00 N ATOM 822 CA GLY A 55 7.119 9.171 7.902 1.00 0.00 C ATOM 823 C GLY A 55 5.941 9.341 8.863 1.00 0.00 C ATOM 824 O GLY A 55 4.903 8.701 8.697 1.00 0.00 O ATOM 0 H GLY A 55 7.125 10.278 6.122 1.00 0.00 H new ATOM 0 HA2 GLY A 55 7.512 8.157 7.979 1.00 0.00 H new ATOM 0 HA3 GLY A 55 7.925 9.848 8.186 1.00 0.00 H new ATOM 828 N ALA A 56 6.140 10.207 9.845 1.00 0.00 N ATOM 829 CA ALA A 56 5.106 10.469 10.832 1.00 0.00 C ATOM 830 C ALA A 56 4.389 11.773 10.478 1.00 0.00 C ATOM 831 O ALA A 56 3.231 11.756 10.062 1.00 0.00 O ATOM 832 CB ALA A 56 5.731 10.508 12.228 1.00 0.00 C ATOM 0 H ALA A 56 7.002 10.736 9.979 1.00 0.00 H new ATOM 0 HA ALA A 56 4.362 9.672 10.830 1.00 0.00 H new ATOM 0 HB1 ALA A 56 4.956 10.705 12.968 1.00 0.00 H new ATOM 0 HB2 ALA A 56 6.203 9.549 12.442 1.00 0.00 H new ATOM 0 HB3 ALA A 56 6.481 11.298 12.269 1.00 0.00 H new ATOM 838 N ASP A 57 5.105 12.873 10.657 1.00 0.00 N ATOM 839 CA ASP A 57 4.551 14.184 10.362 1.00 0.00 C ATOM 840 C ASP A 57 4.505 14.383 8.846 1.00 0.00 C ATOM 841 O ASP A 57 5.091 15.330 8.323 1.00 0.00 O ATOM 842 CB ASP A 57 5.417 15.295 10.959 1.00 0.00 C ATOM 843 CG ASP A 57 6.859 15.336 10.449 1.00 0.00 C ATOM 844 OD1 ASP A 57 7.248 14.362 9.769 1.00 0.00 O ATOM 845 OD2 ASP A 57 7.539 16.341 10.750 1.00 0.00 O ATOM 0 H ASP A 57 6.065 12.884 11.003 1.00 0.00 H new ATOM 0 HA ASP A 57 3.552 14.234 10.795 1.00 0.00 H new ATOM 0 HB2 ASP A 57 4.946 16.255 10.749 1.00 0.00 H new ATOM 0 HB3 ASP A 57 5.434 15.179 12.043 1.00 0.00 H new ATOM 850 N ASP A 58 3.802 13.476 8.183 1.00 0.00 N ATOM 851 CA ASP A 58 3.672 13.541 6.737 1.00 0.00 C ATOM 852 C ASP A 58 5.013 13.954 6.126 1.00 0.00 C ATOM 853 O ASP A 58 5.125 15.027 5.535 1.00 0.00 O ATOM 854 CB ASP A 58 2.625 14.578 6.324 1.00 0.00 C ATOM 855 CG ASP A 58 2.501 14.806 4.816 1.00 0.00 C ATOM 856 OD1 ASP A 58 2.252 13.806 4.109 1.00 0.00 O ATOM 857 OD2 ASP A 58 2.658 15.976 4.405 1.00 0.00 O ATOM 0 H ASP A 58 3.317 12.693 8.620 1.00 0.00 H new ATOM 0 HA ASP A 58 3.365 12.557 6.382 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.655 14.266 6.710 1.00 0.00 H new ATOM 0 HB3 ASP A 58 2.868 15.527 6.801 1.00 0.00 H new ATOM 862 N LYS A 59 5.996 13.081 6.291 1.00 0.00 N ATOM 863 CA LYS A 59 7.324 13.341 5.763 1.00 0.00 C ATOM 864 C LYS A 59 7.672 12.276 4.722 1.00 0.00 C ATOM 865 O LYS A 59 7.901 11.118 5.066 1.00 0.00 O ATOM 866 CB LYS A 59 8.342 13.445 6.901 1.00 0.00 C ATOM 867 CG LYS A 59 8.448 12.123 7.663 1.00 0.00 C ATOM 868 CD LYS A 59 9.301 12.283 8.923 1.00 0.00 C ATOM 869 CE LYS A 59 10.504 13.192 8.659 1.00 0.00 C ATOM 870 NZ LYS A 59 11.544 12.988 9.692 1.00 0.00 N ATOM 0 H LYS A 59 5.899 12.193 6.783 1.00 0.00 H new ATOM 0 HA LYS A 59 7.350 14.305 5.254 1.00 0.00 H new ATOM 0 HB2 LYS A 59 9.318 13.716 6.497 1.00 0.00 H new ATOM 0 HB3 LYS A 59 8.048 14.241 7.585 1.00 0.00 H new ATOM 0 HG2 LYS A 59 7.452 11.776 7.936 1.00 0.00 H new ATOM 0 HG3 LYS A 59 8.886 11.361 7.018 1.00 0.00 H new ATOM 0 HD2 LYS A 59 8.694 12.701 9.727 1.00 0.00 H new ATOM 0 HD3 LYS A 59 9.646 11.305 9.259 1.00 0.00 H new ATOM 0 HE2 LYS A 59 10.917 12.982 7.672 1.00 0.00 H new ATOM 0 HE3 LYS A 59 10.186 14.235 8.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 12.353 13.612 9.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 11.151 13.211 10.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 11.860 11.997 9.676 1.00 0.00 H new ATOM 884 N PHE A 60 7.702 12.706 3.469 1.00 0.00 N ATOM 885 CA PHE A 60 8.018 11.804 2.375 1.00 0.00 C ATOM 886 C PHE A 60 9.414 11.202 2.547 1.00 0.00 C ATOM 887 O PHE A 60 10.369 11.917 2.848 1.00 0.00 O ATOM 888 CB PHE A 60 7.987 12.632 1.089 1.00 0.00 C ATOM 889 CG PHE A 60 8.395 11.852 -0.163 1.00 0.00 C ATOM 890 CD1 PHE A 60 7.741 10.706 -0.493 1.00 0.00 C ATOM 891 CD2 PHE A 60 9.410 12.306 -0.946 1.00 0.00 C ATOM 892 CE1 PHE A 60 8.119 9.982 -1.655 1.00 0.00 C ATOM 893 CE2 PHE A 60 9.788 11.582 -2.108 1.00 0.00 C ATOM 894 CZ PHE A 60 9.135 10.436 -2.438 1.00 0.00 C ATOM 0 H PHE A 60 7.512 13.668 3.187 1.00 0.00 H new ATOM 0 HA PHE A 60 7.299 10.985 2.348 1.00 0.00 H new ATOM 0 HB2 PHE A 60 6.981 13.026 0.947 1.00 0.00 H new ATOM 0 HB3 PHE A 60 8.652 13.488 1.204 1.00 0.00 H new ATOM 0 HD1 PHE A 60 6.934 10.347 0.129 1.00 0.00 H new ATOM 0 HD2 PHE A 60 9.928 13.217 -0.684 1.00 0.00 H new ATOM 0 HE1 PHE A 60 7.600 9.072 -1.917 1.00 0.00 H new ATOM 0 HE2 PHE A 60 10.594 11.942 -2.730 1.00 0.00 H new ATOM 0 HZ PHE A 60 9.423 9.886 -3.322 1.00 0.00 H new ATOM 904 N TYR A 61 9.489 9.894 2.348 1.00 0.00 N ATOM 905 CA TYR A 61 10.752 9.189 2.477 1.00 0.00 C ATOM 906 C TYR A 61 11.203 8.621 1.130 1.00 0.00 C ATOM 907 O TYR A 61 12.225 9.038 0.587 1.00 0.00 O ATOM 908 CB TYR A 61 10.492 8.032 3.444 1.00 0.00 C ATOM 909 CG TYR A 61 10.710 8.389 4.916 1.00 0.00 C ATOM 910 CD1 TYR A 61 10.797 9.712 5.299 1.00 0.00 C ATOM 911 CD2 TYR A 61 10.819 7.389 5.860 1.00 0.00 C ATOM 912 CE1 TYR A 61 11.002 10.049 6.684 1.00 0.00 C ATOM 913 CE2 TYR A 61 11.023 7.725 7.245 1.00 0.00 C ATOM 914 CZ TYR A 61 11.105 9.039 7.589 1.00 0.00 C ATOM 915 OH TYR A 61 11.299 9.356 8.897 1.00 0.00 O ATOM 0 H TYR A 61 8.695 9.304 2.098 1.00 0.00 H new ATOM 0 HA TYR A 61 11.533 9.862 2.831 1.00 0.00 H new ATOM 0 HB2 TYR A 61 9.467 7.686 3.313 1.00 0.00 H new ATOM 0 HB3 TYR A 61 11.145 7.200 3.182 1.00 0.00 H new ATOM 0 HD1 TYR A 61 10.711 10.495 4.560 1.00 0.00 H new ATOM 0 HD2 TYR A 61 10.751 6.354 5.560 1.00 0.00 H new ATOM 0 HE1 TYR A 61 11.072 11.080 6.997 1.00 0.00 H new ATOM 0 HE2 TYR A 61 11.109 6.952 7.994 1.00 0.00 H new ATOM 0 HH TYR A 61 11.353 8.534 9.428 1.00 0.00 H new ATOM 925 N SER A 62 10.419 7.677 0.630 1.00 0.00 N ATOM 926 CA SER A 62 10.725 7.048 -0.644 1.00 0.00 C ATOM 927 C SER A 62 9.441 6.528 -1.293 1.00 0.00 C ATOM 928 O SER A 62 8.390 6.491 -0.654 1.00 0.00 O ATOM 929 CB SER A 62 11.729 5.907 -0.467 1.00 0.00 C ATOM 930 OG SER A 62 13.052 6.300 -0.820 1.00 0.00 O ATOM 0 H SER A 62 9.573 7.333 1.084 1.00 0.00 H new ATOM 0 HA SER A 62 11.176 7.796 -1.295 1.00 0.00 H new ATOM 0 HB2 SER A 62 11.715 5.570 0.569 1.00 0.00 H new ATOM 0 HB3 SER A 62 11.426 5.059 -1.082 1.00 0.00 H new ATOM 0 HG SER A 62 13.212 7.219 -0.518 1.00 0.00 H new ATOM 936 N LYS A 63 9.567 6.141 -2.553 1.00 0.00 N ATOM 937 CA LYS A 63 8.430 5.626 -3.296 1.00 0.00 C ATOM 938 C LYS A 63 8.554 4.106 -3.422 1.00 0.00 C ATOM 939 O LYS A 63 9.655 3.581 -3.582 1.00 0.00 O ATOM 940 CB LYS A 63 8.296 6.345 -4.639 1.00 0.00 C ATOM 941 CG LYS A 63 8.701 7.815 -4.517 1.00 0.00 C ATOM 942 CD LYS A 63 10.223 7.969 -4.544 1.00 0.00 C ATOM 943 CE LYS A 63 10.636 9.192 -5.366 1.00 0.00 C ATOM 944 NZ LYS A 63 10.940 8.801 -6.760 1.00 0.00 N ATOM 0 H LYS A 63 10.440 6.174 -3.079 1.00 0.00 H new ATOM 0 HA LYS A 63 7.503 5.827 -2.760 1.00 0.00 H new ATOM 0 HB2 LYS A 63 8.922 5.852 -5.383 1.00 0.00 H new ATOM 0 HB3 LYS A 63 7.267 6.276 -4.991 1.00 0.00 H new ATOM 0 HG2 LYS A 63 8.260 8.386 -5.334 1.00 0.00 H new ATOM 0 HG3 LYS A 63 8.307 8.229 -3.589 1.00 0.00 H new ATOM 0 HD2 LYS A 63 10.600 8.066 -3.526 1.00 0.00 H new ATOM 0 HD3 LYS A 63 10.675 7.072 -4.967 1.00 0.00 H new ATOM 0 HE2 LYS A 63 9.835 9.932 -5.356 1.00 0.00 H new ATOM 0 HE3 LYS A 63 11.510 9.662 -4.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 11.218 9.643 -7.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 11.719 8.112 -6.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 10.096 8.373 -7.192 1.00 0.00 H new ATOM 958 N LEU A 64 7.410 3.442 -3.344 1.00 0.00 N ATOM 959 CA LEU A 64 7.378 1.993 -3.448 1.00 0.00 C ATOM 960 C LEU A 64 7.301 1.593 -4.923 1.00 0.00 C ATOM 961 O LEU A 64 6.253 1.157 -5.398 1.00 0.00 O ATOM 962 CB LEU A 64 6.243 1.420 -2.596 1.00 0.00 C ATOM 963 CG LEU A 64 6.407 1.558 -1.081 1.00 0.00 C ATOM 964 CD1 LEU A 64 7.825 2.007 -0.721 1.00 0.00 C ATOM 965 CD2 LEU A 64 5.345 2.492 -0.497 1.00 0.00 C ATOM 0 H LEU A 64 6.499 3.881 -3.210 1.00 0.00 H new ATOM 0 HA LEU A 64 8.296 1.562 -3.048 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.314 1.910 -2.887 1.00 0.00 H new ATOM 0 HB3 LEU A 64 6.134 0.362 -2.835 1.00 0.00 H new ATOM 0 HG LEU A 64 6.256 0.577 -0.631 1.00 0.00 H new ATOM 0 HD11 LEU A 64 7.914 2.097 0.362 1.00 0.00 H new ATOM 0 HD12 LEU A 64 8.543 1.272 -1.084 1.00 0.00 H new ATOM 0 HD13 LEU A 64 8.029 2.973 -1.184 1.00 0.00 H new ATOM 0 HD21 LEU A 64 5.484 2.572 0.581 1.00 0.00 H new ATOM 0 HD22 LEU A 64 5.440 3.479 -0.950 1.00 0.00 H new ATOM 0 HD23 LEU A 64 4.353 2.091 -0.706 1.00 0.00 H new ATOM 977 N ASP A 65 8.425 1.754 -5.606 1.00 0.00 N ATOM 978 CA ASP A 65 8.498 1.415 -7.017 1.00 0.00 C ATOM 979 C ASP A 65 9.033 -0.010 -7.167 1.00 0.00 C ATOM 980 O ASP A 65 8.430 -0.834 -7.852 1.00 0.00 O ATOM 981 CB ASP A 65 9.447 2.358 -7.761 1.00 0.00 C ATOM 982 CG ASP A 65 9.674 2.015 -9.234 1.00 0.00 C ATOM 983 OD1 ASP A 65 9.916 0.819 -9.508 1.00 0.00 O ATOM 984 OD2 ASP A 65 9.600 2.956 -10.054 1.00 0.00 O ATOM 0 H ASP A 65 9.292 2.115 -5.208 1.00 0.00 H new ATOM 0 HA ASP A 65 7.497 1.505 -7.438 1.00 0.00 H new ATOM 0 HB2 ASP A 65 9.053 3.372 -7.696 1.00 0.00 H new ATOM 0 HB3 ASP A 65 10.410 2.357 -7.251 1.00 0.00 H new ATOM 989 N GLN A 66 10.161 -0.257 -6.516 1.00 0.00 N ATOM 990 CA GLN A 66 10.784 -1.568 -6.568 1.00 0.00 C ATOM 991 C GLN A 66 9.722 -2.665 -6.467 1.00 0.00 C ATOM 992 O GLN A 66 9.187 -2.918 -5.388 1.00 0.00 O ATOM 993 CB GLN A 66 11.836 -1.720 -5.468 1.00 0.00 C ATOM 994 CG GLN A 66 12.638 -3.010 -5.651 1.00 0.00 C ATOM 995 CD GLN A 66 13.568 -2.910 -6.862 1.00 0.00 C ATOM 996 OE1 GLN A 66 13.681 -1.881 -7.507 1.00 0.00 O ATOM 997 NE2 GLN A 66 14.225 -4.034 -7.133 1.00 0.00 N ATOM 0 H GLN A 66 10.659 0.430 -5.950 1.00 0.00 H new ATOM 0 HA GLN A 66 11.292 -1.669 -7.527 1.00 0.00 H new ATOM 0 HB2 GLN A 66 12.510 -0.863 -5.483 1.00 0.00 H new ATOM 0 HB3 GLN A 66 11.349 -1.725 -4.493 1.00 0.00 H new ATOM 0 HG2 GLN A 66 13.224 -3.209 -4.754 1.00 0.00 H new ATOM 0 HG3 GLN A 66 11.957 -3.851 -5.780 1.00 0.00 H new ATOM 0 HE21 GLN A 66 14.084 -4.860 -6.552 1.00 0.00 H new ATOM 0 HE22 GLN A 66 14.870 -4.070 -7.922 1.00 0.00 H new ATOM 1006 N GLU A 67 9.449 -3.287 -7.604 1.00 0.00 N ATOM 1007 CA GLU A 67 8.460 -4.351 -7.657 1.00 0.00 C ATOM 1008 C GLU A 67 9.034 -5.638 -7.062 1.00 0.00 C ATOM 1009 O GLU A 67 8.286 -6.520 -6.642 1.00 0.00 O ATOM 1010 CB GLU A 67 7.975 -4.578 -9.089 1.00 0.00 C ATOM 1011 CG GLU A 67 7.351 -3.305 -9.665 1.00 0.00 C ATOM 1012 CD GLU A 67 7.982 -2.946 -11.012 1.00 0.00 C ATOM 1013 OE1 GLU A 67 7.837 -3.766 -11.944 1.00 0.00 O ATOM 1014 OE2 GLU A 67 8.596 -1.859 -11.079 1.00 0.00 O ATOM 0 H GLU A 67 9.895 -3.075 -8.496 1.00 0.00 H new ATOM 0 HA GLU A 67 7.599 -4.050 -7.061 1.00 0.00 H new ATOM 0 HB2 GLU A 67 8.811 -4.893 -9.714 1.00 0.00 H new ATOM 0 HB3 GLU A 67 7.243 -5.386 -9.105 1.00 0.00 H new ATOM 0 HG2 GLU A 67 6.277 -3.446 -9.788 1.00 0.00 H new ATOM 0 HG3 GLU A 67 7.486 -2.481 -8.965 1.00 0.00 H new ATOM 1021 N ASP A 68 10.357 -5.706 -7.044 1.00 0.00 N ATOM 1022 CA ASP A 68 11.040 -6.871 -6.507 1.00 0.00 C ATOM 1023 C ASP A 68 11.296 -6.663 -5.013 1.00 0.00 C ATOM 1024 O ASP A 68 11.975 -7.469 -4.378 1.00 0.00 O ATOM 1025 CB ASP A 68 12.391 -7.082 -7.193 1.00 0.00 C ATOM 1026 CG ASP A 68 12.355 -7.984 -8.428 1.00 0.00 C ATOM 1027 OD1 ASP A 68 11.876 -7.495 -9.474 1.00 0.00 O ATOM 1028 OD2 ASP A 68 12.807 -9.142 -8.299 1.00 0.00 O ATOM 0 H ASP A 68 10.975 -4.973 -7.393 1.00 0.00 H new ATOM 0 HA ASP A 68 10.408 -7.742 -6.680 1.00 0.00 H new ATOM 0 HB2 ASP A 68 12.790 -6.110 -7.483 1.00 0.00 H new ATOM 0 HB3 ASP A 68 13.086 -7.509 -6.470 1.00 0.00 H new ATOM 1033 N ALA A 69 10.739 -5.578 -4.495 1.00 0.00 N ATOM 1034 CA ALA A 69 10.898 -5.255 -3.087 1.00 0.00 C ATOM 1035 C ALA A 69 9.698 -5.792 -2.306 1.00 0.00 C ATOM 1036 O ALA A 69 8.672 -6.131 -2.893 1.00 0.00 O ATOM 1037 CB ALA A 69 11.069 -3.743 -2.927 1.00 0.00 C ATOM 0 H ALA A 69 10.177 -4.912 -5.025 1.00 0.00 H new ATOM 0 HA ALA A 69 11.792 -5.729 -2.683 1.00 0.00 H new ATOM 0 HB1 ALA A 69 11.188 -3.500 -1.871 1.00 0.00 H new ATOM 0 HB2 ALA A 69 11.952 -3.417 -3.476 1.00 0.00 H new ATOM 0 HB3 ALA A 69 10.189 -3.234 -3.319 1.00 0.00 H new ATOM 1043 N LEU A 70 9.866 -5.853 -0.993 1.00 0.00 N ATOM 1044 CA LEU A 70 8.809 -6.343 -0.125 1.00 0.00 C ATOM 1045 C LEU A 70 8.512 -5.296 0.951 1.00 0.00 C ATOM 1046 O LEU A 70 9.406 -4.563 1.372 1.00 0.00 O ATOM 1047 CB LEU A 70 9.172 -7.718 0.438 1.00 0.00 C ATOM 1048 CG LEU A 70 9.656 -8.753 -0.579 1.00 0.00 C ATOM 1049 CD1 LEU A 70 10.654 -9.722 0.057 1.00 0.00 C ATOM 1050 CD2 LEU A 70 8.476 -9.485 -1.221 1.00 0.00 C ATOM 0 H LEU A 70 10.719 -5.571 -0.509 1.00 0.00 H new ATOM 0 HA LEU A 70 7.889 -6.489 -0.691 1.00 0.00 H new ATOM 0 HB2 LEU A 70 9.949 -7.587 1.191 1.00 0.00 H new ATOM 0 HB3 LEU A 70 8.298 -8.121 0.949 1.00 0.00 H new ATOM 0 HG LEU A 70 10.181 -8.228 -1.377 1.00 0.00 H new ATOM 0 HD11 LEU A 70 10.982 -10.447 -0.688 1.00 0.00 H new ATOM 0 HD12 LEU A 70 11.516 -9.166 0.427 1.00 0.00 H new ATOM 0 HD13 LEU A 70 10.176 -10.244 0.886 1.00 0.00 H new ATOM 0 HD21 LEU A 70 8.848 -10.215 -1.940 1.00 0.00 H new ATOM 0 HD22 LEU A 70 7.901 -9.997 -0.449 1.00 0.00 H new ATOM 0 HD23 LEU A 70 7.836 -8.766 -1.732 1.00 0.00 H new ATOM 1062 N LEU A 71 7.254 -5.260 1.366 1.00 0.00 N ATOM 1063 CA LEU A 71 6.829 -4.316 2.385 1.00 0.00 C ATOM 1064 C LEU A 71 7.544 -4.634 3.699 1.00 0.00 C ATOM 1065 O LEU A 71 7.156 -5.558 4.413 1.00 0.00 O ATOM 1066 CB LEU A 71 5.304 -4.305 2.502 1.00 0.00 C ATOM 1067 CG LEU A 71 4.610 -3.002 2.101 1.00 0.00 C ATOM 1068 CD1 LEU A 71 3.088 -3.145 2.174 1.00 0.00 C ATOM 1069 CD2 LEU A 71 5.116 -1.829 2.943 1.00 0.00 C ATOM 0 H LEU A 71 6.515 -5.870 1.015 1.00 0.00 H new ATOM 0 HA LEU A 71 7.112 -3.301 2.106 1.00 0.00 H new ATOM 0 HB2 LEU A 71 4.906 -5.110 1.884 1.00 0.00 H new ATOM 0 HB3 LEU A 71 5.037 -4.533 3.534 1.00 0.00 H new ATOM 0 HG LEU A 71 4.864 -2.787 1.063 1.00 0.00 H new ATOM 0 HD11 LEU A 71 2.620 -2.204 1.884 1.00 0.00 H new ATOM 0 HD12 LEU A 71 2.764 -3.936 1.497 1.00 0.00 H new ATOM 0 HD13 LEU A 71 2.795 -3.397 3.193 1.00 0.00 H new ATOM 0 HD21 LEU A 71 4.606 -0.915 2.637 1.00 0.00 H new ATOM 0 HD22 LEU A 71 4.913 -2.023 3.996 1.00 0.00 H new ATOM 0 HD23 LEU A 71 6.190 -1.712 2.796 1.00 0.00 H new ATOM 1081 N GLY A 72 8.576 -3.852 3.979 1.00 0.00 N ATOM 1082 CA GLY A 72 9.349 -4.038 5.195 1.00 0.00 C ATOM 1083 C GLY A 72 10.787 -3.549 5.012 1.00 0.00 C ATOM 1084 O GLY A 72 11.326 -2.858 5.874 1.00 0.00 O ATOM 0 H GLY A 72 8.895 -3.087 3.384 1.00 0.00 H new ATOM 0 HA2 GLY A 72 8.879 -3.496 6.015 1.00 0.00 H new ATOM 0 HA3 GLY A 72 9.352 -5.093 5.470 1.00 0.00 H new ATOM 1088 N SER A 73 11.367 -3.928 3.882 1.00 0.00 N ATOM 1089 CA SER A 73 12.732 -3.536 3.574 1.00 0.00 C ATOM 1090 C SER A 73 12.850 -2.011 3.566 1.00 0.00 C ATOM 1091 O SER A 73 13.943 -1.468 3.723 1.00 0.00 O ATOM 1092 CB SER A 73 13.180 -4.111 2.229 1.00 0.00 C ATOM 1093 OG SER A 73 13.163 -3.128 1.197 1.00 0.00 O ATOM 0 H SER A 73 10.917 -4.502 3.169 1.00 0.00 H new ATOM 0 HA SER A 73 13.386 -3.940 4.347 1.00 0.00 H new ATOM 0 HB2 SER A 73 14.187 -4.518 2.326 1.00 0.00 H new ATOM 0 HB3 SER A 73 12.527 -4.939 1.953 1.00 0.00 H new ATOM 0 HG SER A 73 13.457 -3.533 0.354 1.00 0.00 H new ATOM 1099 N TYR A 74 11.709 -1.362 3.381 1.00 0.00 N ATOM 1100 CA TYR A 74 11.671 0.090 3.350 1.00 0.00 C ATOM 1101 C TYR A 74 11.426 0.662 4.748 1.00 0.00 C ATOM 1102 O TYR A 74 11.047 -0.067 5.664 1.00 0.00 O ATOM 1103 CB TYR A 74 10.493 0.462 2.447 1.00 0.00 C ATOM 1104 CG TYR A 74 10.799 0.358 0.952 1.00 0.00 C ATOM 1105 CD1 TYR A 74 11.704 1.224 0.371 1.00 0.00 C ATOM 1106 CD2 TYR A 74 10.171 -0.601 0.183 1.00 0.00 C ATOM 1107 CE1 TYR A 74 11.992 1.127 -1.037 1.00 0.00 C ATOM 1108 CE2 TYR A 74 10.459 -0.698 -1.224 1.00 0.00 C ATOM 1109 CZ TYR A 74 11.355 0.171 -1.765 1.00 0.00 C ATOM 1110 OH TYR A 74 11.627 0.079 -3.094 1.00 0.00 O ATOM 0 H TYR A 74 10.805 -1.815 3.251 1.00 0.00 H new ATOM 0 HA TYR A 74 12.618 0.491 2.989 1.00 0.00 H new ATOM 0 HB2 TYR A 74 9.650 -0.188 2.681 1.00 0.00 H new ATOM 0 HB3 TYR A 74 10.182 1.482 2.674 1.00 0.00 H new ATOM 0 HD1 TYR A 74 12.196 1.974 0.972 1.00 0.00 H new ATOM 0 HD2 TYR A 74 9.463 -1.279 0.637 1.00 0.00 H new ATOM 0 HE1 TYR A 74 12.698 1.798 -1.504 1.00 0.00 H new ATOM 0 HE2 TYR A 74 9.975 -1.444 -1.837 1.00 0.00 H new ATOM 0 HH TYR A 74 12.547 0.372 -3.261 1.00 0.00 H new ATOM 1120 N PRO A 75 11.659 1.996 4.872 1.00 0.00 N ATOM 1121 CA PRO A 75 11.468 2.674 6.143 1.00 0.00 C ATOM 1122 C PRO A 75 9.981 2.871 6.441 1.00 0.00 C ATOM 1123 O PRO A 75 9.533 3.993 6.671 1.00 0.00 O ATOM 1124 CB PRO A 75 12.225 3.985 6.007 1.00 0.00 C ATOM 1125 CG PRO A 75 12.420 4.201 4.515 1.00 0.00 C ATOM 1126 CD PRO A 75 12.109 2.891 3.810 1.00 0.00 C ATOM 0 HA PRO A 75 11.845 2.098 6.988 1.00 0.00 H new ATOM 0 HB2 PRO A 75 11.664 4.808 6.451 1.00 0.00 H new ATOM 0 HB3 PRO A 75 13.184 3.938 6.523 1.00 0.00 H new ATOM 0 HG2 PRO A 75 11.764 4.993 4.155 1.00 0.00 H new ATOM 0 HG3 PRO A 75 13.443 4.514 4.305 1.00 0.00 H new ATOM 0 HD2 PRO A 75 11.338 3.023 3.051 1.00 0.00 H new ATOM 0 HD3 PRO A 75 12.990 2.494 3.305 1.00 0.00 H new ATOM 1134 N VAL A 76 9.255 1.762 6.428 1.00 0.00 N ATOM 1135 CA VAL A 76 7.827 1.798 6.694 1.00 0.00 C ATOM 1136 C VAL A 76 7.533 1.024 7.980 1.00 0.00 C ATOM 1137 O VAL A 76 8.395 0.310 8.490 1.00 0.00 O ATOM 1138 CB VAL A 76 7.056 1.265 5.485 1.00 0.00 C ATOM 1139 CG1 VAL A 76 7.133 -0.261 5.414 1.00 0.00 C ATOM 1140 CG2 VAL A 76 5.602 1.740 5.510 1.00 0.00 C ATOM 0 H VAL A 76 9.630 0.833 6.237 1.00 0.00 H new ATOM 0 HA VAL A 76 7.493 2.824 6.849 1.00 0.00 H new ATOM 0 HB VAL A 76 7.524 1.666 4.586 1.00 0.00 H new ATOM 0 HG11 VAL A 76 6.577 -0.613 4.545 1.00 0.00 H new ATOM 0 HG12 VAL A 76 8.175 -0.569 5.327 1.00 0.00 H new ATOM 0 HG13 VAL A 76 6.702 -0.690 6.319 1.00 0.00 H new ATOM 0 HG21 VAL A 76 5.076 1.347 4.640 1.00 0.00 H new ATOM 0 HG22 VAL A 76 5.118 1.382 6.419 1.00 0.00 H new ATOM 0 HG23 VAL A 76 5.575 2.829 5.489 1.00 0.00 H new ATOM 1150 N ASP A 77 6.312 1.190 8.467 1.00 0.00 N ATOM 1151 CA ASP A 77 5.893 0.515 9.684 1.00 0.00 C ATOM 1152 C ASP A 77 4.388 0.711 9.878 1.00 0.00 C ATOM 1153 O ASP A 77 3.800 1.631 9.311 1.00 0.00 O ATOM 1154 CB ASP A 77 6.607 1.092 10.907 1.00 0.00 C ATOM 1155 CG ASP A 77 6.391 2.590 11.135 1.00 0.00 C ATOM 1156 OD1 ASP A 77 5.261 2.946 11.534 1.00 0.00 O ATOM 1157 OD2 ASP A 77 7.361 3.344 10.906 1.00 0.00 O ATOM 0 H ASP A 77 5.599 1.782 8.041 1.00 0.00 H new ATOM 0 HA ASP A 77 6.142 -0.542 9.587 1.00 0.00 H new ATOM 0 HB2 ASP A 77 6.271 0.553 11.793 1.00 0.00 H new ATOM 0 HB3 ASP A 77 7.676 0.906 10.806 1.00 0.00 H new ATOM 1162 N ASP A 78 3.808 -0.168 10.681 1.00 0.00 N ATOM 1163 CA ASP A 78 2.383 -0.103 10.958 1.00 0.00 C ATOM 1164 C ASP A 78 2.041 1.274 11.529 1.00 0.00 C ATOM 1165 O ASP A 78 2.288 1.542 12.704 1.00 0.00 O ATOM 1166 CB ASP A 78 1.973 -1.158 11.988 1.00 0.00 C ATOM 1167 CG ASP A 78 2.966 -1.363 13.133 1.00 0.00 C ATOM 1168 OD1 ASP A 78 3.095 -0.424 13.948 1.00 0.00 O ATOM 1169 OD2 ASP A 78 3.575 -2.454 13.167 1.00 0.00 O ATOM 0 H ASP A 78 4.299 -0.930 11.149 1.00 0.00 H new ATOM 0 HA ASP A 78 1.850 -0.284 10.025 1.00 0.00 H new ATOM 0 HB2 ASP A 78 1.008 -0.877 12.410 1.00 0.00 H new ATOM 0 HB3 ASP A 78 1.831 -2.109 11.475 1.00 0.00 H new ATOM 1174 N GLY A 79 1.477 2.112 10.672 1.00 0.00 N ATOM 1175 CA GLY A 79 1.098 3.455 11.076 1.00 0.00 C ATOM 1176 C GLY A 79 1.520 4.484 10.026 1.00 0.00 C ATOM 1177 O GLY A 79 1.083 5.633 10.066 1.00 0.00 O ATOM 0 H GLY A 79 1.273 1.887 9.698 1.00 0.00 H new ATOM 0 HA2 GLY A 79 0.019 3.503 11.224 1.00 0.00 H new ATOM 0 HA3 GLY A 79 1.562 3.695 12.033 1.00 0.00 H new ATOM 1181 N CYS A 80 2.366 4.034 9.110 1.00 0.00 N ATOM 1182 CA CYS A 80 2.853 4.902 8.051 1.00 0.00 C ATOM 1183 C CYS A 80 1.648 5.418 7.262 1.00 0.00 C ATOM 1184 O CYS A 80 0.511 5.316 7.720 1.00 0.00 O ATOM 1185 CB CYS A 80 3.860 4.184 7.150 1.00 0.00 C ATOM 1186 SG CYS A 80 2.979 3.115 5.954 1.00 0.00 S ATOM 0 H CYS A 80 2.726 3.080 9.080 1.00 0.00 H new ATOM 0 HA CYS A 80 3.390 5.745 8.486 1.00 0.00 H new ATOM 0 HB2 CYS A 80 4.469 4.914 6.617 1.00 0.00 H new ATOM 0 HB3 CYS A 80 4.539 3.584 7.756 1.00 0.00 H new ATOM 0 HG CYS A 80 3.421 3.350 4.754 1.00 0.00 H new ATOM 1192 N ARG A 81 1.938 5.961 6.088 1.00 0.00 N ATOM 1193 CA ARG A 81 0.893 6.493 5.231 1.00 0.00 C ATOM 1194 C ARG A 81 1.260 6.294 3.759 1.00 0.00 C ATOM 1195 O ARG A 81 2.189 6.925 3.257 1.00 0.00 O ATOM 1196 CB ARG A 81 0.669 7.984 5.496 1.00 0.00 C ATOM 1197 CG ARG A 81 -0.380 8.559 4.542 1.00 0.00 C ATOM 1198 CD ARG A 81 -0.993 9.841 5.109 1.00 0.00 C ATOM 1199 NE ARG A 81 -1.562 9.579 6.450 1.00 0.00 N ATOM 1200 CZ ARG A 81 -2.068 10.528 7.250 1.00 0.00 C ATOM 1201 NH1 ARG A 81 -2.079 11.806 6.848 1.00 0.00 N ATOM 1202 NH2 ARG A 81 -2.563 10.198 8.451 1.00 0.00 N ATOM 0 H ARG A 81 2.882 6.044 5.711 1.00 0.00 H new ATOM 0 HA ARG A 81 -0.027 5.953 5.456 1.00 0.00 H new ATOM 0 HB2 ARG A 81 0.347 8.129 6.527 1.00 0.00 H new ATOM 0 HB3 ARG A 81 1.609 8.523 5.377 1.00 0.00 H new ATOM 0 HG2 ARG A 81 0.078 8.767 3.575 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -1.164 7.822 4.371 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -0.233 10.620 5.173 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -1.771 10.209 4.440 1.00 0.00 H new ATOM 0 HE ARG A 81 -1.570 8.616 6.786 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -1.702 12.056 5.934 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -2.464 12.529 7.456 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -2.555 9.225 8.756 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -2.948 10.920 9.060 1.00 0.00 H new ATOM 1216 N ILE A 82 0.513 5.414 3.110 1.00 0.00 N ATOM 1217 CA ILE A 82 0.749 5.124 1.706 1.00 0.00 C ATOM 1218 C ILE A 82 -0.207 5.957 0.850 1.00 0.00 C ATOM 1219 O ILE A 82 -1.419 5.750 0.886 1.00 0.00 O ATOM 1220 CB ILE A 82 0.654 3.619 1.446 1.00 0.00 C ATOM 1221 CG1 ILE A 82 1.530 2.837 2.427 1.00 0.00 C ATOM 1222 CG2 ILE A 82 0.990 3.291 -0.010 1.00 0.00 C ATOM 1223 CD1 ILE A 82 2.975 2.761 1.931 1.00 0.00 C ATOM 0 H ILE A 82 -0.256 4.892 3.530 1.00 0.00 H new ATOM 0 HA ILE A 82 1.762 5.410 1.423 1.00 0.00 H new ATOM 0 HB ILE A 82 -0.377 3.308 1.616 1.00 0.00 H new ATOM 0 HG12 ILE A 82 1.502 3.316 3.406 1.00 0.00 H new ATOM 0 HG13 ILE A 82 1.132 1.830 2.553 1.00 0.00 H new ATOM 0 HG21 ILE A 82 0.915 2.215 -0.167 1.00 0.00 H new ATOM 0 HG22 ILE A 82 0.290 3.804 -0.669 1.00 0.00 H new ATOM 0 HG23 ILE A 82 2.005 3.620 -0.232 1.00 0.00 H new ATOM 0 HD11 ILE A 82 3.576 2.200 2.647 1.00 0.00 H new ATOM 0 HD12 ILE A 82 3.002 2.260 0.963 1.00 0.00 H new ATOM 0 HD13 ILE A 82 3.378 3.769 1.829 1.00 0.00 H new ATOM 1235 N HIS A 83 0.374 6.881 0.099 1.00 0.00 N ATOM 1236 CA HIS A 83 -0.411 7.746 -0.765 1.00 0.00 C ATOM 1237 C HIS A 83 -0.379 7.208 -2.197 1.00 0.00 C ATOM 1238 O HIS A 83 0.694 7.016 -2.768 1.00 0.00 O ATOM 1239 CB HIS A 83 0.070 9.195 -0.665 1.00 0.00 C ATOM 1240 CG HIS A 83 -0.883 10.201 -1.264 1.00 0.00 C ATOM 1241 ND1 HIS A 83 -2.068 10.569 -0.650 1.00 0.00 N ATOM 1242 CD2 HIS A 83 -0.814 10.913 -2.425 1.00 0.00 C ATOM 1243 CE1 HIS A 83 -2.676 11.462 -1.417 1.00 0.00 C ATOM 1244 NE2 HIS A 83 -1.898 11.673 -2.517 1.00 0.00 N ATOM 0 H HIS A 83 1.380 7.050 0.071 1.00 0.00 H new ATOM 0 HA HIS A 83 -1.451 7.746 -0.437 1.00 0.00 H new ATOM 0 HB2 HIS A 83 0.231 9.442 0.384 1.00 0.00 H new ATOM 0 HB3 HIS A 83 1.035 9.282 -1.164 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -0.013 10.866 -3.147 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -3.622 11.939 -1.208 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -2.114 12.310 -3.284 1.00 0.00 H new ATOM 1252 N VAL A 84 -1.567 6.979 -2.736 1.00 0.00 N ATOM 1253 CA VAL A 84 -1.688 6.467 -4.090 1.00 0.00 C ATOM 1254 C VAL A 84 -1.815 7.639 -5.065 1.00 0.00 C ATOM 1255 O VAL A 84 -2.783 8.396 -5.010 1.00 0.00 O ATOM 1256 CB VAL A 84 -2.862 5.489 -4.177 1.00 0.00 C ATOM 1257 CG1 VAL A 84 -3.245 5.219 -5.633 1.00 0.00 C ATOM 1258 CG2 VAL A 84 -2.543 4.184 -3.443 1.00 0.00 C ATOM 0 H VAL A 84 -2.455 7.139 -2.259 1.00 0.00 H new ATOM 0 HA VAL A 84 -0.794 5.908 -4.367 1.00 0.00 H new ATOM 0 HB VAL A 84 -3.719 5.950 -3.686 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -4.082 4.521 -5.666 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -3.534 6.154 -6.113 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -2.393 4.789 -6.160 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -3.393 3.506 -3.520 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.666 3.719 -3.893 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -2.342 4.397 -2.393 1.00 0.00 H new ATOM 1268 N ILE A 85 -0.822 7.753 -5.935 1.00 0.00 N ATOM 1269 CA ILE A 85 -0.810 8.821 -6.921 1.00 0.00 C ATOM 1270 C ILE A 85 -1.526 8.348 -8.188 1.00 0.00 C ATOM 1271 O ILE A 85 -0.963 7.590 -8.976 1.00 0.00 O ATOM 1272 CB ILE A 85 0.620 9.306 -7.167 1.00 0.00 C ATOM 1273 CG1 ILE A 85 1.259 9.812 -5.872 1.00 0.00 C ATOM 1274 CG2 ILE A 85 0.658 10.361 -8.275 1.00 0.00 C ATOM 1275 CD1 ILE A 85 2.771 9.580 -5.879 1.00 0.00 C ATOM 0 H ILE A 85 -0.020 7.124 -5.978 1.00 0.00 H new ATOM 0 HA ILE A 85 -1.357 9.688 -6.551 1.00 0.00 H new ATOM 0 HB ILE A 85 1.214 8.458 -7.508 1.00 0.00 H new ATOM 0 HG12 ILE A 85 1.051 10.875 -5.751 1.00 0.00 H new ATOM 0 HG13 ILE A 85 0.813 9.301 -5.019 1.00 0.00 H new ATOM 0 HG21 ILE A 85 1.686 10.689 -8.430 1.00 0.00 H new ATOM 0 HG22 ILE A 85 0.271 9.932 -9.199 1.00 0.00 H new ATOM 0 HG23 ILE A 85 0.045 11.214 -7.986 1.00 0.00 H new ATOM 0 HD11 ILE A 85 3.200 9.949 -4.947 1.00 0.00 H new ATOM 0 HD12 ILE A 85 2.975 8.514 -5.975 1.00 0.00 H new ATOM 0 HD13 ILE A 85 3.217 10.112 -6.719 1.00 0.00 H new ATOM 1287 N ASP A 86 -2.756 8.815 -8.343 1.00 0.00 N ATOM 1288 CA ASP A 86 -3.554 8.449 -9.501 1.00 0.00 C ATOM 1289 C ASP A 86 -2.787 8.801 -10.776 1.00 0.00 C ATOM 1290 O ASP A 86 -2.735 9.965 -11.172 1.00 0.00 O ATOM 1291 CB ASP A 86 -4.879 9.214 -9.519 1.00 0.00 C ATOM 1292 CG ASP A 86 -5.514 9.373 -10.902 1.00 0.00 C ATOM 1293 OD1 ASP A 86 -5.856 8.326 -11.494 1.00 0.00 O ATOM 1294 OD2 ASP A 86 -5.644 10.538 -11.337 1.00 0.00 O ATOM 0 H ASP A 86 -3.219 9.443 -7.686 1.00 0.00 H new ATOM 0 HA ASP A 86 -3.755 7.379 -9.448 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -5.586 8.701 -8.868 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -4.715 10.205 -9.095 1.00 0.00 H new ATOM 1299 N HIS A 87 -2.210 7.775 -11.385 1.00 0.00 N ATOM 1300 CA HIS A 87 -1.448 7.962 -12.607 1.00 0.00 C ATOM 1301 C HIS A 87 -2.298 7.549 -13.810 1.00 0.00 C ATOM 1302 O HIS A 87 -1.764 7.180 -14.855 1.00 0.00 O ATOM 1303 CB HIS A 87 -0.116 7.212 -12.537 1.00 0.00 C ATOM 1304 CG HIS A 87 1.073 8.097 -12.250 1.00 0.00 C ATOM 1305 ND1 HIS A 87 1.215 9.362 -12.795 1.00 0.00 N ATOM 1306 CD2 HIS A 87 2.172 7.889 -11.470 1.00 0.00 C ATOM 1307 CE1 HIS A 87 2.353 9.881 -12.357 1.00 0.00 C ATOM 1308 NE2 HIS A 87 2.944 8.966 -11.536 1.00 0.00 N ATOM 0 H HIS A 87 -2.255 6.811 -11.054 1.00 0.00 H new ATOM 0 HA HIS A 87 -1.199 9.016 -12.727 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -0.182 6.447 -11.763 1.00 0.00 H new ATOM 0 HB3 HIS A 87 0.048 6.695 -13.483 1.00 0.00 H new ATOM 0 HD1 HIS A 87 0.556 9.817 -13.426 1.00 0.00 H new ATOM 0 HD2 HIS A 87 2.379 6.998 -10.896 1.00 0.00 H new ATOM 0 HE1 HIS A 87 2.744 10.857 -12.606 1.00 0.00 H new