USER MOD reduce.3.24.130724 H: found=0, std=0, add=744, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 744 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 63 GLN : amide:sc= -5.64 K(o=-6.7,f=-10!) USER MOD Set 1.2: A 70 TYR OH : rot -75:sc= -1.03! USER MOD Set 2.1: A 12 THR OG1 : rot 40:sc= 0.0327 USER MOD Set 2.2: A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 2 SER OG : rot -120:sc= 0.197 USER MOD Set 3.2: A 91 LYS NZ :NH3+ -175:sc= 0.211 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 167:sc= 0.277 (180deg=0.205) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 59:sc= -4.71! USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.564 K(o=-0.56,f=-3.6!) USER MOD Single : A 21 GLN : amide:sc= -3.82! K(o=-3.8!,f=-0.92) USER MOD Single : A 22 SER OG : rot 147:sc= -1.6 USER MOD Single : A 25 THR OG1 : rot -92:sc= 1.27 USER MOD Single : A 31 LYS NZ :NH3+ -142:sc=-0.00687 (180deg=-1.78) USER MOD Single : A 34 GLN : amide:sc= -0.437 X(o=-0.44,f=-0.069) USER MOD Single : A 35 TYR OH : rot 180:sc=-0.00934 USER MOD Single : A 36 GLN : amide:sc= 0.862 K(o=0.86,f=-5.2!) USER MOD Single : A 41 SER OG : rot 90:sc= -0.0422 USER MOD Single : A 42 GLN : amide:sc= -2.68 X(o=-2.7,f=-2.6) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -4.68! C(o=-4.7!,f=-4.1!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 THR OG1 : rot 180:sc=-0.00361 USER MOD Single : A 66 ASN : amide:sc= -0.0352 X(o=-0.035,f=0) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 CYS SG : rot -103:sc= 1.41 USER MOD Single : A 74 TYR OH : rot 30:sc= 0 USER MOD Single : A 83 GLN : amide:sc= -0.0643 X(o=-0.064,f=0) USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 THR OG1 : rot 180:sc= -1.11 USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 17.884 -4.062 -0.157 1.00 0.00 N ATOM 2 CA MET A 1 17.463 -4.990 -1.239 1.00 0.00 C ATOM 3 C MET A 1 16.363 -4.373 -2.097 1.00 0.00 C ATOM 4 O MET A 1 16.576 -4.061 -3.268 1.00 0.00 O ATOM 5 CB MET A 1 16.969 -6.289 -0.601 1.00 0.00 C ATOM 6 CG MET A 1 18.049 -7.352 -0.471 1.00 0.00 C ATOM 7 SD MET A 1 19.253 -6.966 0.814 1.00 0.00 S ATOM 8 CE MET A 1 18.446 -7.661 2.254 1.00 0.00 C ATOM 0 H1 MET A 1 18.464 -4.577 0.536 1.00 0.00 H new ATOM 0 H2 MET A 1 18.441 -3.284 -0.564 1.00 0.00 H new ATOM 0 H3 MET A 1 17.042 -3.675 0.315 1.00 0.00 H new ATOM 0 HA MET A 1 18.314 -5.191 -1.890 1.00 0.00 H new ATOM 0 HB2 MET A 1 16.567 -6.068 0.388 1.00 0.00 H new ATOM 0 HB3 MET A 1 16.148 -6.688 -1.197 1.00 0.00 H new ATOM 0 HG2 MET A 1 17.583 -8.312 -0.250 1.00 0.00 H new ATOM 0 HG3 MET A 1 18.564 -7.460 -1.426 1.00 0.00 H new ATOM 0 HE1 MET A 1 19.070 -7.501 3.133 1.00 0.00 H new ATOM 0 HE2 MET A 1 17.481 -7.175 2.401 1.00 0.00 H new ATOM 0 HE3 MET A 1 18.295 -8.730 2.106 1.00 0.00 H new ATOM 20 N SER A 2 15.186 -4.199 -1.505 1.00 0.00 N ATOM 21 CA SER A 2 14.051 -3.619 -2.213 1.00 0.00 C ATOM 22 C SER A 2 13.385 -2.531 -1.377 1.00 0.00 C ATOM 23 O SER A 2 13.432 -2.564 -0.147 1.00 0.00 O ATOM 24 CB SER A 2 13.032 -4.705 -2.563 1.00 0.00 C ATOM 25 OG SER A 2 13.054 -5.751 -1.607 1.00 0.00 O ATOM 0 H SER A 2 14.993 -4.452 -0.536 1.00 0.00 H new ATOM 0 HA SER A 2 14.422 -3.168 -3.133 1.00 0.00 H new ATOM 0 HB2 SER A 2 12.033 -4.270 -2.608 1.00 0.00 H new ATOM 0 HB3 SER A 2 13.250 -5.107 -3.552 1.00 0.00 H new ATOM 0 HG SER A 2 13.280 -6.595 -2.051 1.00 0.00 H new ATOM 31 N GLY A 3 12.767 -1.568 -2.052 1.00 0.00 N ATOM 32 CA GLY A 3 12.101 -0.483 -1.355 1.00 0.00 C ATOM 33 C GLY A 3 10.828 -0.042 -2.051 1.00 0.00 C ATOM 34 O GLY A 3 10.745 -0.063 -3.279 1.00 0.00 O ATOM 0 H GLY A 3 12.715 -1.519 -3.070 1.00 0.00 H new ATOM 0 HA2 GLY A 3 11.865 -0.799 -0.339 1.00 0.00 H new ATOM 0 HA3 GLY A 3 12.781 0.365 -1.276 1.00 0.00 H new ATOM 38 N LEU A 4 9.835 0.362 -1.265 1.00 0.00 N ATOM 39 CA LEU A 4 8.561 0.813 -1.813 1.00 0.00 C ATOM 40 C LEU A 4 7.806 1.656 -0.793 1.00 0.00 C ATOM 41 O LEU A 4 7.825 1.366 0.403 1.00 0.00 O ATOM 42 CB LEU A 4 7.707 -0.384 -2.239 1.00 0.00 C ATOM 43 CG LEU A 4 7.791 -1.605 -1.318 1.00 0.00 C ATOM 44 CD1 LEU A 4 6.421 -1.943 -0.748 1.00 0.00 C ATOM 45 CD2 LEU A 4 8.367 -2.799 -2.065 1.00 0.00 C ATOM 0 H LEU A 4 9.888 0.386 -0.247 1.00 0.00 H new ATOM 0 HA LEU A 4 8.766 1.428 -2.689 1.00 0.00 H new ATOM 0 HB2 LEU A 4 6.667 -0.065 -2.299 1.00 0.00 H new ATOM 0 HB3 LEU A 4 8.006 -0.685 -3.243 1.00 0.00 H new ATOM 0 HG LEU A 4 8.457 -1.363 -0.489 1.00 0.00 H new ATOM 0 HD11 LEU A 4 6.503 -2.813 -0.097 1.00 0.00 H new ATOM 0 HD12 LEU A 4 6.046 -1.095 -0.175 1.00 0.00 H new ATOM 0 HD13 LEU A 4 5.732 -2.163 -1.563 1.00 0.00 H new ATOM 0 HD21 LEU A 4 8.419 -3.657 -1.395 1.00 0.00 H new ATOM 0 HD22 LEU A 4 7.727 -3.040 -2.914 1.00 0.00 H new ATOM 0 HD23 LEU A 4 9.368 -2.556 -2.422 1.00 0.00 H new ATOM 57 N ARG A 5 7.143 2.702 -1.273 1.00 0.00 N ATOM 58 CA ARG A 5 6.385 3.589 -0.399 1.00 0.00 C ATOM 59 C ARG A 5 4.906 3.216 -0.385 1.00 0.00 C ATOM 60 O ARG A 5 4.143 3.625 -1.260 1.00 0.00 O ATOM 61 CB ARG A 5 6.554 5.045 -0.841 1.00 0.00 C ATOM 62 CG ARG A 5 6.036 5.326 -2.241 1.00 0.00 C ATOM 63 CD ARG A 5 6.791 6.472 -2.894 1.00 0.00 C ATOM 64 NE ARG A 5 6.289 7.775 -2.461 1.00 0.00 N ATOM 65 CZ ARG A 5 6.809 8.936 -2.850 1.00 0.00 C ATOM 66 NH1 ARG A 5 7.846 8.963 -3.679 1.00 0.00 N ATOM 67 NH2 ARG A 5 6.292 10.075 -2.409 1.00 0.00 N ATOM 0 H ARG A 5 7.115 2.956 -2.260 1.00 0.00 H new ATOM 0 HA ARG A 5 6.775 3.476 0.612 1.00 0.00 H new ATOM 0 HB2 ARG A 5 6.034 5.692 -0.135 1.00 0.00 H new ATOM 0 HB3 ARG A 5 7.611 5.308 -0.795 1.00 0.00 H new ATOM 0 HG2 ARG A 5 6.133 4.429 -2.853 1.00 0.00 H new ATOM 0 HG3 ARG A 5 4.974 5.567 -2.196 1.00 0.00 H new ATOM 0 HD2 ARG A 5 7.851 6.393 -2.652 1.00 0.00 H new ATOM 0 HD3 ARG A 5 6.705 6.392 -3.978 1.00 0.00 H new ATOM 0 HE ARG A 5 5.493 7.795 -1.823 1.00 0.00 H new ATOM 0 HH11 ARG A 5 8.248 8.090 -4.021 1.00 0.00 H new ATOM 0 HH12 ARG A 5 8.240 9.856 -3.974 1.00 0.00 H new ATOM 0 HH21 ARG A 5 5.496 10.061 -1.772 1.00 0.00 H new ATOM 0 HH22 ARG A 5 6.691 10.965 -2.707 1.00 0.00 H new ATOM 81 N VAL A 6 4.507 2.442 0.619 1.00 0.00 N ATOM 82 CA VAL A 6 3.118 2.021 0.754 1.00 0.00 C ATOM 83 C VAL A 6 2.316 3.055 1.536 1.00 0.00 C ATOM 84 O VAL A 6 2.649 3.381 2.675 1.00 0.00 O ATOM 85 CB VAL A 6 3.007 0.655 1.459 1.00 0.00 C ATOM 86 CG1 VAL A 6 1.562 0.180 1.489 1.00 0.00 C ATOM 87 CG2 VAL A 6 3.897 -0.373 0.776 1.00 0.00 C ATOM 0 H VAL A 6 5.126 2.094 1.351 1.00 0.00 H new ATOM 0 HA VAL A 6 2.711 1.928 -0.253 1.00 0.00 H new ATOM 0 HB VAL A 6 3.347 0.773 2.488 1.00 0.00 H new ATOM 0 HG11 VAL A 6 1.507 -0.786 1.991 1.00 0.00 H new ATOM 0 HG12 VAL A 6 0.952 0.905 2.028 1.00 0.00 H new ATOM 0 HG13 VAL A 6 1.190 0.080 0.469 1.00 0.00 H new ATOM 0 HG21 VAL A 6 3.805 -1.331 1.288 1.00 0.00 H new ATOM 0 HG22 VAL A 6 3.590 -0.486 -0.264 1.00 0.00 H new ATOM 0 HG23 VAL A 6 4.934 -0.039 0.814 1.00 0.00 H new ATOM 97 N TYR A 7 1.260 3.571 0.917 1.00 0.00 N ATOM 98 CA TYR A 7 0.417 4.573 1.557 1.00 0.00 C ATOM 99 C TYR A 7 -0.563 3.926 2.529 1.00 0.00 C ATOM 100 O TYR A 7 -1.082 2.839 2.274 1.00 0.00 O ATOM 101 CB TYR A 7 -0.347 5.376 0.503 1.00 0.00 C ATOM 102 CG TYR A 7 0.449 6.521 -0.083 1.00 0.00 C ATOM 103 CD1 TYR A 7 0.565 7.729 0.593 1.00 0.00 C ATOM 104 CD2 TYR A 7 1.082 6.394 -1.313 1.00 0.00 C ATOM 105 CE1 TYR A 7 1.291 8.778 0.060 1.00 0.00 C ATOM 106 CE2 TYR A 7 1.810 7.439 -1.852 1.00 0.00 C ATOM 107 CZ TYR A 7 1.911 8.628 -1.162 1.00 0.00 C ATOM 108 OH TYR A 7 2.634 9.670 -1.696 1.00 0.00 O ATOM 0 H TYR A 7 0.968 3.312 -0.025 1.00 0.00 H new ATOM 0 HA TYR A 7 1.064 5.246 2.120 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -0.650 4.706 -0.302 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -1.259 5.771 0.950 1.00 0.00 H new ATOM 0 HD1 TYR A 7 0.080 7.851 1.550 1.00 0.00 H new ATOM 0 HD2 TYR A 7 1.004 5.464 -1.857 1.00 0.00 H new ATOM 0 HE1 TYR A 7 1.372 9.711 0.599 1.00 0.00 H new ATOM 0 HE2 TYR A 7 2.297 7.324 -2.809 1.00 0.00 H new ATOM 0 HH TYR A 7 3.007 9.400 -2.561 1.00 0.00 H new ATOM 118 N SER A 8 -0.813 4.605 3.643 1.00 0.00 N ATOM 119 CA SER A 8 -1.733 4.101 4.656 1.00 0.00 C ATOM 120 C SER A 8 -2.223 5.230 5.557 1.00 0.00 C ATOM 121 O SER A 8 -1.827 6.384 5.394 1.00 0.00 O ATOM 122 CB SER A 8 -1.057 3.015 5.496 1.00 0.00 C ATOM 123 OG SER A 8 0.354 3.132 5.439 1.00 0.00 O ATOM 0 H SER A 8 -0.391 5.506 3.868 1.00 0.00 H new ATOM 0 HA SER A 8 -2.594 3.670 4.146 1.00 0.00 H new ATOM 0 HB2 SER A 8 -1.390 3.091 6.531 1.00 0.00 H new ATOM 0 HB3 SER A 8 -1.359 2.031 5.136 1.00 0.00 H new ATOM 0 HG SER A 8 0.623 4.015 5.768 1.00 0.00 H new ATOM 129 N THR A 9 -3.086 4.888 6.508 1.00 0.00 N ATOM 130 CA THR A 9 -3.630 5.873 7.436 1.00 0.00 C ATOM 131 C THR A 9 -3.418 5.435 8.881 1.00 0.00 C ATOM 132 O THR A 9 -4.113 4.551 9.381 1.00 0.00 O ATOM 133 CB THR A 9 -5.121 6.086 7.169 1.00 0.00 C ATOM 134 OG1 THR A 9 -5.646 7.088 8.021 1.00 0.00 O ATOM 135 CG2 THR A 9 -5.950 4.835 7.368 1.00 0.00 C ATOM 0 H THR A 9 -3.424 3.937 6.656 1.00 0.00 H new ATOM 0 HA THR A 9 -3.101 6.813 7.280 1.00 0.00 H new ATOM 0 HB THR A 9 -5.186 6.384 6.122 1.00 0.00 H new ATOM 0 HG1 THR A 9 -6.600 7.210 7.833 1.00 0.00 H new ATOM 0 HG21 THR A 9 -6.997 5.056 7.162 1.00 0.00 H new ATOM 0 HG22 THR A 9 -5.603 4.057 6.688 1.00 0.00 H new ATOM 0 HG23 THR A 9 -5.847 4.490 8.397 1.00 0.00 H new ATOM 143 N SER A 10 -2.453 6.060 9.548 1.00 0.00 N ATOM 144 CA SER A 10 -2.150 5.735 10.938 1.00 0.00 C ATOM 145 C SER A 10 -3.381 5.920 11.819 1.00 0.00 C ATOM 146 O SER A 10 -3.795 5.001 12.526 1.00 0.00 O ATOM 147 CB SER A 10 -1.004 6.609 11.451 1.00 0.00 C ATOM 148 OG SER A 10 0.254 6.057 11.104 1.00 0.00 O ATOM 0 H SER A 10 -1.868 6.794 9.149 1.00 0.00 H new ATOM 0 HA SER A 10 -1.846 4.689 10.983 1.00 0.00 H new ATOM 0 HB2 SER A 10 -1.092 7.612 11.033 1.00 0.00 H new ATOM 0 HB3 SER A 10 -1.075 6.708 12.534 1.00 0.00 H new ATOM 0 HG SER A 10 0.969 6.635 11.442 1.00 0.00 H new ATOM 154 N VAL A 11 -3.964 7.113 11.767 1.00 0.00 N ATOM 155 CA VAL A 11 -5.151 7.418 12.556 1.00 0.00 C ATOM 156 C VAL A 11 -6.409 6.895 11.871 1.00 0.00 C ATOM 157 O VAL A 11 -7.074 7.622 11.133 1.00 0.00 O ATOM 158 CB VAL A 11 -5.298 8.933 12.790 1.00 0.00 C ATOM 159 CG1 VAL A 11 -6.434 9.217 13.760 1.00 0.00 C ATOM 160 CG2 VAL A 11 -3.991 9.523 13.300 1.00 0.00 C ATOM 0 H VAL A 11 -3.634 7.884 11.187 1.00 0.00 H new ATOM 0 HA VAL A 11 -5.029 6.922 13.519 1.00 0.00 H new ATOM 0 HB VAL A 11 -5.538 9.407 11.838 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -6.522 10.293 13.912 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -7.367 8.831 13.350 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -6.228 8.731 14.714 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -4.113 10.594 13.460 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -3.718 9.045 14.241 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -3.204 9.353 12.565 1.00 0.00 H new ATOM 170 N THR A 12 -6.727 5.628 12.118 1.00 0.00 N ATOM 171 CA THR A 12 -7.904 5.003 11.524 1.00 0.00 C ATOM 172 C THR A 12 -9.169 5.790 11.851 1.00 0.00 C ATOM 173 O THR A 12 -9.408 6.150 13.004 1.00 0.00 O ATOM 174 CB THR A 12 -8.044 3.562 12.017 1.00 0.00 C ATOM 175 OG1 THR A 12 -8.068 3.518 13.433 1.00 0.00 O ATOM 176 CG2 THR A 12 -6.926 2.657 11.549 1.00 0.00 C ATOM 0 H THR A 12 -6.186 5.013 12.726 1.00 0.00 H new ATOM 0 HA THR A 12 -7.773 5.001 10.442 1.00 0.00 H new ATOM 0 HB THR A 12 -8.981 3.202 11.593 1.00 0.00 H new ATOM 0 HG1 THR A 12 -8.592 4.272 13.775 1.00 0.00 H new ATOM 0 HG21 THR A 12 -7.087 1.650 11.934 1.00 0.00 H new ATOM 0 HG22 THR A 12 -6.911 2.630 10.459 1.00 0.00 H new ATOM 0 HG23 THR A 12 -5.972 3.037 11.915 1.00 0.00 H new ATOM 184 N GLY A 13 -9.977 6.051 10.829 1.00 0.00 N ATOM 185 CA GLY A 13 -11.210 6.792 11.026 1.00 0.00 C ATOM 186 C GLY A 13 -12.431 6.011 10.582 1.00 0.00 C ATOM 187 O GLY A 13 -13.476 6.058 11.231 1.00 0.00 O ATOM 0 H GLY A 13 -9.800 5.763 9.867 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -11.311 7.050 12.080 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -11.160 7.729 10.471 1.00 0.00 H new ATOM 191 N SER A 14 -12.300 5.292 9.472 1.00 0.00 N ATOM 192 CA SER A 14 -13.401 4.496 8.942 1.00 0.00 C ATOM 193 C SER A 14 -13.476 3.141 9.638 1.00 0.00 C ATOM 194 O SER A 14 -12.678 2.844 10.526 1.00 0.00 O ATOM 195 CB SER A 14 -13.237 4.300 7.433 1.00 0.00 C ATOM 196 OG SER A 14 -13.899 5.322 6.710 1.00 0.00 O ATOM 0 H SER A 14 -11.442 5.244 8.922 1.00 0.00 H new ATOM 0 HA SER A 14 -14.330 5.034 9.132 1.00 0.00 H new ATOM 0 HB2 SER A 14 -12.178 4.297 7.177 1.00 0.00 H new ATOM 0 HB3 SER A 14 -13.637 3.328 7.144 1.00 0.00 H new ATOM 0 HG SER A 14 -13.777 5.174 5.749 1.00 0.00 H new ATOM 202 N ARG A 15 -14.441 2.324 9.229 1.00 0.00 N ATOM 203 CA ARG A 15 -14.621 0.998 9.816 1.00 0.00 C ATOM 204 C ARG A 15 -14.324 -0.104 8.814 1.00 0.00 C ATOM 205 O ARG A 15 -14.158 -1.270 9.172 1.00 0.00 O ATOM 206 CB ARG A 15 -16.042 0.844 10.347 1.00 0.00 C ATOM 207 CG ARG A 15 -16.205 -0.294 11.341 1.00 0.00 C ATOM 208 CD ARG A 15 -17.250 0.032 12.395 1.00 0.00 C ATOM 209 NE ARG A 15 -18.610 -0.136 11.888 1.00 0.00 N ATOM 210 CZ ARG A 15 -19.685 0.407 12.455 1.00 0.00 C ATOM 211 NH1 ARG A 15 -19.564 1.152 13.547 1.00 0.00 N ATOM 212 NH2 ARG A 15 -20.885 0.204 11.929 1.00 0.00 N ATOM 0 H ARG A 15 -15.110 2.555 8.495 1.00 0.00 H new ATOM 0 HA ARG A 15 -13.913 0.905 10.639 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -16.345 1.776 10.823 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -16.718 0.681 9.508 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -16.492 -1.203 10.812 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -15.249 -0.495 11.825 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -17.104 -0.613 13.262 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -17.114 1.059 12.735 1.00 0.00 H new ATOM 0 HE ARG A 15 -18.744 -0.703 11.050 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -18.643 1.311 13.956 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -20.392 1.565 13.977 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -20.984 -0.368 11.090 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -21.709 0.620 12.363 1.00 0.00 H new ATOM 226 N GLU A 16 -14.255 0.288 7.567 1.00 0.00 N ATOM 227 CA GLU A 16 -13.971 -0.633 6.474 1.00 0.00 C ATOM 228 C GLU A 16 -12.508 -0.538 6.059 1.00 0.00 C ATOM 229 O GLU A 16 -11.889 -1.534 5.687 1.00 0.00 O ATOM 230 CB GLU A 16 -14.876 -0.333 5.277 1.00 0.00 C ATOM 231 CG GLU A 16 -16.284 -0.885 5.425 1.00 0.00 C ATOM 232 CD GLU A 16 -17.196 -0.468 4.287 1.00 0.00 C ATOM 233 OE1 GLU A 16 -16.732 -0.460 3.128 1.00 0.00 O ATOM 234 OE2 GLU A 16 -18.373 -0.150 4.556 1.00 0.00 O ATOM 0 H GLU A 16 -14.393 1.254 7.271 1.00 0.00 H new ATOM 0 HA GLU A 16 -14.169 -1.647 6.821 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -14.931 0.746 5.135 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -14.424 -0.750 4.377 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -16.241 -1.973 5.471 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -16.707 -0.542 6.369 1.00 0.00 H new ATOM 241 N ILE A 17 -11.964 0.672 6.128 1.00 0.00 N ATOM 242 CA ILE A 17 -10.574 0.911 5.763 1.00 0.00 C ATOM 243 C ILE A 17 -9.625 0.221 6.738 1.00 0.00 C ATOM 244 O ILE A 17 -8.532 -0.203 6.362 1.00 0.00 O ATOM 245 CB ILE A 17 -10.259 2.419 5.729 1.00 0.00 C ATOM 246 CG1 ILE A 17 -11.239 3.145 4.807 1.00 0.00 C ATOM 247 CG2 ILE A 17 -8.825 2.657 5.277 1.00 0.00 C ATOM 248 CD1 ILE A 17 -11.012 4.640 4.739 1.00 0.00 C ATOM 0 H ILE A 17 -12.467 1.505 6.435 1.00 0.00 H new ATOM 0 HA ILE A 17 -10.427 0.495 4.766 1.00 0.00 H new ATOM 0 HB ILE A 17 -10.370 2.818 6.737 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -11.158 2.728 3.803 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -12.256 2.955 5.150 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -8.622 3.728 5.259 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -8.139 2.169 5.970 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -8.685 2.245 4.278 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -11.743 5.089 4.067 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -11.122 5.070 5.734 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -10.007 4.839 4.367 1.00 0.00 H new ATOM 260 N LYS A 18 -10.049 0.113 7.993 1.00 0.00 N ATOM 261 CA LYS A 18 -9.238 -0.525 9.022 1.00 0.00 C ATOM 262 C LYS A 18 -8.953 -1.980 8.666 1.00 0.00 C ATOM 263 O LYS A 18 -7.836 -2.467 8.846 1.00 0.00 O ATOM 264 CB LYS A 18 -9.943 -0.449 10.377 1.00 0.00 C ATOM 265 CG LYS A 18 -9.907 0.934 11.005 1.00 0.00 C ATOM 266 CD LYS A 18 -10.842 1.028 12.200 1.00 0.00 C ATOM 267 CE LYS A 18 -10.095 0.835 13.509 1.00 0.00 C ATOM 268 NZ LYS A 18 -10.603 1.740 14.577 1.00 0.00 N ATOM 0 H LYS A 18 -10.950 0.460 8.321 1.00 0.00 H new ATOM 0 HA LYS A 18 -8.289 0.008 9.083 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -10.982 -0.756 10.254 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -9.478 -1.161 11.059 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -8.889 1.166 11.319 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -10.189 1.680 10.262 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -11.335 2.000 12.201 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -11.624 0.274 12.112 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -10.193 -0.201 13.834 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -9.032 1.020 13.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -10.068 1.577 15.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -10.486 2.729 14.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -11.611 1.546 14.746 1.00 0.00 H new ATOM 282 N SER A 19 -9.970 -2.670 8.159 1.00 0.00 N ATOM 283 CA SER A 19 -9.829 -4.071 7.778 1.00 0.00 C ATOM 284 C SER A 19 -8.954 -4.214 6.536 1.00 0.00 C ATOM 285 O SER A 19 -8.300 -5.238 6.340 1.00 0.00 O ATOM 286 CB SER A 19 -11.203 -4.692 7.522 1.00 0.00 C ATOM 287 OG SER A 19 -11.252 -6.031 7.982 1.00 0.00 O ATOM 0 H SER A 19 -10.900 -2.282 8.003 1.00 0.00 H new ATOM 0 HA SER A 19 -9.347 -4.598 8.601 1.00 0.00 H new ATOM 0 HB2 SER A 19 -11.971 -4.103 8.024 1.00 0.00 H new ATOM 0 HB3 SER A 19 -11.426 -4.662 6.455 1.00 0.00 H new ATOM 0 HG SER A 19 -12.141 -6.404 7.808 1.00 0.00 H new ATOM 293 N GLN A 20 -8.948 -3.182 5.698 1.00 0.00 N ATOM 294 CA GLN A 20 -8.154 -3.196 4.474 1.00 0.00 C ATOM 295 C GLN A 20 -6.664 -3.089 4.787 1.00 0.00 C ATOM 296 O GLN A 20 -5.895 -4.011 4.514 1.00 0.00 O ATOM 297 CB GLN A 20 -8.579 -2.049 3.554 1.00 0.00 C ATOM 298 CG GLN A 20 -9.592 -2.461 2.498 1.00 0.00 C ATOM 299 CD GLN A 20 -10.816 -3.129 3.095 1.00 0.00 C ATOM 300 OE1 GLN A 20 -10.727 -4.213 3.671 1.00 0.00 O ATOM 301 NE2 GLN A 20 -11.968 -2.482 2.958 1.00 0.00 N ATOM 0 H GLN A 20 -9.483 -2.326 5.844 1.00 0.00 H new ATOM 0 HA GLN A 20 -8.331 -4.145 3.967 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -9.002 -1.247 4.159 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -7.696 -1.644 3.060 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -9.901 -1.581 1.934 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -9.118 -3.143 1.792 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -11.995 -1.585 2.473 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -12.826 -2.882 3.338 1.00 0.00 H new ATOM 310 N GLN A 21 -6.263 -1.957 5.357 1.00 0.00 N ATOM 311 CA GLN A 21 -4.864 -1.728 5.703 1.00 0.00 C ATOM 312 C GLN A 21 -4.352 -2.802 6.657 1.00 0.00 C ATOM 313 O GLN A 21 -3.183 -3.185 6.605 1.00 0.00 O ATOM 314 CB GLN A 21 -4.695 -0.346 6.337 1.00 0.00 C ATOM 315 CG GLN A 21 -5.489 -0.164 7.620 1.00 0.00 C ATOM 316 CD GLN A 21 -5.032 1.038 8.424 1.00 0.00 C ATOM 317 OE1 GLN A 21 -3.935 1.045 8.982 1.00 0.00 O ATOM 318 NE2 GLN A 21 -5.874 2.063 8.486 1.00 0.00 N ATOM 0 H GLN A 21 -6.887 -1.184 5.589 1.00 0.00 H new ATOM 0 HA GLN A 21 -4.278 -1.776 4.785 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -3.639 -0.178 6.547 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -5.002 0.414 5.619 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -6.546 -0.053 7.376 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -5.396 -1.062 8.231 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -6.774 2.014 8.008 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -5.621 2.900 9.012 1.00 0.00 H new ATOM 327 N SER A 22 -5.233 -3.284 7.527 1.00 0.00 N ATOM 328 CA SER A 22 -4.867 -4.313 8.494 1.00 0.00 C ATOM 329 C SER A 22 -4.443 -5.599 7.791 1.00 0.00 C ATOM 330 O SER A 22 -3.474 -6.244 8.189 1.00 0.00 O ATOM 331 CB SER A 22 -6.039 -4.596 9.435 1.00 0.00 C ATOM 332 OG SER A 22 -7.167 -5.069 8.719 1.00 0.00 O ATOM 0 H SER A 22 -6.205 -2.979 7.583 1.00 0.00 H new ATOM 0 HA SER A 22 -4.022 -3.944 9.075 1.00 0.00 H new ATOM 0 HB2 SER A 22 -5.741 -5.335 10.179 1.00 0.00 H new ATOM 0 HB3 SER A 22 -6.303 -3.687 9.976 1.00 0.00 H new ATOM 0 HG SER A 22 -7.664 -5.705 9.275 1.00 0.00 H new ATOM 338 N GLU A 23 -5.176 -5.967 6.746 1.00 0.00 N ATOM 339 CA GLU A 23 -4.876 -7.178 5.990 1.00 0.00 C ATOM 340 C GLU A 23 -3.516 -7.074 5.306 1.00 0.00 C ATOM 341 O GLU A 23 -2.655 -7.936 5.484 1.00 0.00 O ATOM 342 CB GLU A 23 -5.966 -7.437 4.948 1.00 0.00 C ATOM 343 CG GLU A 23 -6.389 -8.894 4.859 1.00 0.00 C ATOM 344 CD GLU A 23 -7.213 -9.336 6.053 1.00 0.00 C ATOM 345 OE1 GLU A 23 -6.846 -8.979 7.192 1.00 0.00 O ATOM 346 OE2 GLU A 23 -8.225 -10.038 5.848 1.00 0.00 O ATOM 0 H GLU A 23 -5.982 -5.444 6.403 1.00 0.00 H new ATOM 0 HA GLU A 23 -4.845 -8.013 6.690 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -6.838 -6.828 5.188 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -5.608 -7.111 3.971 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -6.967 -9.046 3.947 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -5.502 -9.522 4.782 1.00 0.00 H new ATOM 353 N VAL A 24 -3.331 -6.016 4.522 1.00 0.00 N ATOM 354 CA VAL A 24 -2.076 -5.801 3.809 1.00 0.00 C ATOM 355 C VAL A 24 -0.885 -5.830 4.762 1.00 0.00 C ATOM 356 O VAL A 24 0.091 -6.543 4.530 1.00 0.00 O ATOM 357 CB VAL A 24 -2.080 -4.458 3.055 1.00 0.00 C ATOM 358 CG1 VAL A 24 -0.857 -4.343 2.159 1.00 0.00 C ATOM 359 CG2 VAL A 24 -3.360 -4.304 2.246 1.00 0.00 C ATOM 0 H VAL A 24 -4.034 -5.294 4.364 1.00 0.00 H new ATOM 0 HA VAL A 24 -1.982 -6.615 3.090 1.00 0.00 H new ATOM 0 HB VAL A 24 -2.041 -3.652 3.787 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -0.878 -3.387 1.635 1.00 0.00 H new ATOM 0 HG12 VAL A 24 0.046 -4.404 2.766 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -0.861 -5.155 1.432 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -3.345 -3.349 1.720 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -3.433 -5.116 1.522 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -4.220 -4.336 2.915 1.00 0.00 H new ATOM 369 N THR A 25 -0.971 -5.048 5.833 1.00 0.00 N ATOM 370 CA THR A 25 0.100 -4.983 6.820 1.00 0.00 C ATOM 371 C THR A 25 0.356 -6.354 7.440 1.00 0.00 C ATOM 372 O THR A 25 1.479 -6.668 7.832 1.00 0.00 O ATOM 373 CB THR A 25 -0.247 -3.972 7.913 1.00 0.00 C ATOM 374 OG1 THR A 25 -1.569 -4.172 8.380 1.00 0.00 O ATOM 375 CG2 THR A 25 -0.133 -2.534 7.456 1.00 0.00 C ATOM 0 H THR A 25 -1.771 -4.450 6.039 1.00 0.00 H new ATOM 0 HA THR A 25 1.009 -4.661 6.312 1.00 0.00 H new ATOM 0 HB THR A 25 0.481 -4.143 8.706 1.00 0.00 H new ATOM 0 HG1 THR A 25 -2.186 -3.610 7.866 1.00 0.00 H new ATOM 0 HG21 THR A 25 -0.393 -1.869 8.279 1.00 0.00 H new ATOM 0 HG22 THR A 25 0.890 -2.334 7.137 1.00 0.00 H new ATOM 0 HG23 THR A 25 -0.814 -2.362 6.622 1.00 0.00 H new ATOM 383 N ARG A 26 -0.693 -7.166 7.525 1.00 0.00 N ATOM 384 CA ARG A 26 -0.580 -8.502 8.098 1.00 0.00 C ATOM 385 C ARG A 26 0.292 -9.398 7.224 1.00 0.00 C ATOM 386 O ARG A 26 1.079 -10.198 7.730 1.00 0.00 O ATOM 387 CB ARG A 26 -1.966 -9.128 8.266 1.00 0.00 C ATOM 388 CG ARG A 26 -2.117 -9.936 9.545 1.00 0.00 C ATOM 389 CD ARG A 26 -3.568 -10.316 9.799 1.00 0.00 C ATOM 390 NE ARG A 26 -3.732 -11.756 9.983 1.00 0.00 N ATOM 391 CZ ARG A 26 -3.460 -12.395 11.119 1.00 0.00 C ATOM 392 NH1 ARG A 26 -3.012 -11.726 12.174 1.00 0.00 N ATOM 393 NH2 ARG A 26 -3.638 -13.706 11.200 1.00 0.00 N ATOM 0 H ARG A 26 -1.630 -6.922 7.205 1.00 0.00 H new ATOM 0 HA ARG A 26 -0.109 -8.410 9.077 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -2.716 -8.338 8.255 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -2.170 -9.774 7.412 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -1.510 -10.839 9.480 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -1.739 -9.358 10.388 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -3.930 -9.794 10.685 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -4.182 -9.985 8.961 1.00 0.00 H new ATOM 0 HE ARG A 26 -4.075 -12.304 9.194 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -2.874 -10.717 12.117 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -2.805 -12.221 13.042 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -3.983 -14.225 10.392 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -3.430 -14.196 12.070 1.00 0.00 H new ATOM 407 N ILE A 27 0.146 -9.260 5.910 1.00 0.00 N ATOM 408 CA ILE A 27 0.920 -10.058 4.967 1.00 0.00 C ATOM 409 C ILE A 27 2.382 -9.625 4.950 1.00 0.00 C ATOM 410 O ILE A 27 3.283 -10.436 5.167 1.00 0.00 O ATOM 411 CB ILE A 27 0.350 -9.953 3.540 1.00 0.00 C ATOM 412 CG1 ILE A 27 -1.164 -10.173 3.552 1.00 0.00 C ATOM 413 CG2 ILE A 27 1.030 -10.958 2.623 1.00 0.00 C ATOM 414 CD1 ILE A 27 -1.578 -11.496 4.159 1.00 0.00 C ATOM 0 H ILE A 27 -0.501 -8.603 5.475 1.00 0.00 H new ATOM 0 HA ILE A 27 0.854 -11.093 5.302 1.00 0.00 H new ATOM 0 HB ILE A 27 0.548 -8.951 3.159 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -1.636 -9.364 4.109 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -1.539 -10.118 2.530 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.616 -10.872 1.618 1.00 0.00 H new ATOM 0 HG22 ILE A 27 2.101 -10.757 2.593 1.00 0.00 H new ATOM 0 HG23 ILE A 27 0.861 -11.967 3.000 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -2.664 -11.584 4.134 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.135 -12.312 3.589 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -1.234 -11.546 5.192 1.00 0.00 H new ATOM 426 N LEU A 28 2.612 -8.342 4.689 1.00 0.00 N ATOM 427 CA LEU A 28 3.966 -7.801 4.641 1.00 0.00 C ATOM 428 C LEU A 28 4.683 -8.008 5.972 1.00 0.00 C ATOM 429 O LEU A 28 5.833 -8.447 6.007 1.00 0.00 O ATOM 430 CB LEU A 28 3.929 -6.312 4.295 1.00 0.00 C ATOM 431 CG LEU A 28 3.371 -5.983 2.909 1.00 0.00 C ATOM 432 CD1 LEU A 28 2.683 -4.627 2.919 1.00 0.00 C ATOM 433 CD2 LEU A 28 4.481 -6.011 1.868 1.00 0.00 C ATOM 0 H LEU A 28 1.878 -7.657 4.507 1.00 0.00 H new ATOM 0 HA LEU A 28 4.517 -8.334 3.866 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.328 -5.795 5.044 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.941 -5.913 4.367 1.00 0.00 H new ATOM 0 HG LEU A 28 2.633 -6.741 2.646 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.292 -4.410 1.925 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.862 -4.641 3.636 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.400 -3.857 3.203 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.067 -5.775 0.888 1.00 0.00 H new ATOM 0 HD22 LEU A 28 5.242 -5.275 2.127 1.00 0.00 H new ATOM 0 HD23 LEU A 28 4.931 -7.004 1.842 1.00 0.00 H new ATOM 445 N ASP A 29 3.996 -7.690 7.064 1.00 0.00 N ATOM 446 CA ASP A 29 4.567 -7.842 8.398 1.00 0.00 C ATOM 447 C ASP A 29 4.977 -9.289 8.648 1.00 0.00 C ATOM 448 O ASP A 29 6.117 -9.566 9.021 1.00 0.00 O ATOM 449 CB ASP A 29 3.562 -7.393 9.461 1.00 0.00 C ATOM 450 CG ASP A 29 4.164 -7.369 10.853 1.00 0.00 C ATOM 451 OD1 ASP A 29 5.226 -7.996 11.052 1.00 0.00 O ATOM 452 OD2 ASP A 29 3.573 -6.724 11.744 1.00 0.00 O ATOM 0 H ASP A 29 3.043 -7.326 7.052 1.00 0.00 H new ATOM 0 HA ASP A 29 5.455 -7.213 8.461 1.00 0.00 H new ATOM 0 HB2 ASP A 29 3.193 -6.398 9.211 1.00 0.00 H new ATOM 0 HB3 ASP A 29 2.703 -8.064 9.451 1.00 0.00 H new ATOM 457 N GLY A 30 4.042 -10.209 8.436 1.00 0.00 N ATOM 458 CA GLY A 30 4.328 -11.617 8.639 1.00 0.00 C ATOM 459 C GLY A 30 5.471 -12.102 7.770 1.00 0.00 C ATOM 460 O GLY A 30 6.186 -13.035 8.135 1.00 0.00 O ATOM 0 H GLY A 30 3.092 -10.005 8.127 1.00 0.00 H new ATOM 0 HA2 GLY A 30 4.573 -11.788 9.687 1.00 0.00 H new ATOM 0 HA3 GLY A 30 3.435 -12.202 8.421 1.00 0.00 H new ATOM 464 N LYS A 31 5.645 -11.462 6.618 1.00 0.00 N ATOM 465 CA LYS A 31 6.712 -11.827 5.693 1.00 0.00 C ATOM 466 C LYS A 31 8.063 -11.299 6.173 1.00 0.00 C ATOM 467 O LYS A 31 9.108 -11.676 5.641 1.00 0.00 O ATOM 468 CB LYS A 31 6.408 -11.285 4.295 1.00 0.00 C ATOM 469 CG LYS A 31 5.560 -12.221 3.450 1.00 0.00 C ATOM 470 CD LYS A 31 5.132 -11.563 2.148 1.00 0.00 C ATOM 471 CE LYS A 31 6.027 -11.981 0.992 1.00 0.00 C ATOM 472 NZ LYS A 31 6.269 -10.859 0.043 1.00 0.00 N ATOM 0 H LYS A 31 5.061 -10.688 6.303 1.00 0.00 H new ATOM 0 HA LYS A 31 6.765 -12.915 5.653 1.00 0.00 H new ATOM 0 HB2 LYS A 31 5.894 -10.328 4.389 1.00 0.00 H new ATOM 0 HB3 LYS A 31 7.348 -11.092 3.777 1.00 0.00 H new ATOM 0 HG2 LYS A 31 6.124 -13.128 3.232 1.00 0.00 H new ATOM 0 HG3 LYS A 31 4.677 -12.523 4.014 1.00 0.00 H new ATOM 0 HD2 LYS A 31 4.099 -11.832 1.926 1.00 0.00 H new ATOM 0 HD3 LYS A 31 5.162 -10.479 2.260 1.00 0.00 H new ATOM 0 HE2 LYS A 31 6.980 -12.339 1.382 1.00 0.00 H new ATOM 0 HE3 LYS A 31 5.567 -12.814 0.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 6.278 -11.224 -0.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 5.512 -10.152 0.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 7.186 -10.416 0.256 1.00 0.00 H new ATOM 486 N ARG A 32 8.039 -10.426 7.178 1.00 0.00 N ATOM 487 CA ARG A 32 9.265 -9.851 7.723 1.00 0.00 C ATOM 488 C ARG A 32 9.933 -8.934 6.703 1.00 0.00 C ATOM 489 O ARG A 32 11.151 -8.967 6.526 1.00 0.00 O ATOM 490 CB ARG A 32 10.232 -10.960 8.147 1.00 0.00 C ATOM 491 CG ARG A 32 10.862 -10.728 9.512 1.00 0.00 C ATOM 492 CD ARG A 32 10.701 -11.940 10.416 1.00 0.00 C ATOM 493 NE ARG A 32 11.369 -13.120 9.873 1.00 0.00 N ATOM 494 CZ ARG A 32 11.231 -14.346 10.374 1.00 0.00 C ATOM 495 NH1 ARG A 32 10.452 -14.556 11.428 1.00 0.00 N ATOM 496 NH2 ARG A 32 11.875 -15.364 9.820 1.00 0.00 N ATOM 0 H ARG A 32 7.184 -10.102 7.631 1.00 0.00 H new ATOM 0 HA ARG A 32 9.002 -9.259 8.599 1.00 0.00 H new ATOM 0 HB2 ARG A 32 9.699 -11.911 8.159 1.00 0.00 H new ATOM 0 HB3 ARG A 32 11.022 -11.047 7.401 1.00 0.00 H new ATOM 0 HG2 ARG A 32 11.921 -10.502 9.391 1.00 0.00 H new ATOM 0 HG3 ARG A 32 10.402 -9.859 9.983 1.00 0.00 H new ATOM 0 HD2 ARG A 32 11.108 -11.714 11.401 1.00 0.00 H new ATOM 0 HD3 ARG A 32 9.641 -12.153 10.551 1.00 0.00 H new ATOM 0 HE ARG A 32 11.977 -12.998 9.063 1.00 0.00 H new ATOM 0 HH11 ARG A 32 9.955 -13.776 11.858 1.00 0.00 H new ATOM 0 HH12 ARG A 32 10.350 -15.497 11.807 1.00 0.00 H new ATOM 0 HH21 ARG A 32 12.476 -15.208 9.011 1.00 0.00 H new ATOM 0 HH22 ARG A 32 11.770 -16.303 10.203 1.00 0.00 H new ATOM 510 N ILE A 33 9.127 -8.116 6.036 1.00 0.00 N ATOM 511 CA ILE A 33 9.635 -7.190 5.037 1.00 0.00 C ATOM 512 C ILE A 33 10.060 -5.874 5.675 1.00 0.00 C ATOM 513 O ILE A 33 9.625 -5.532 6.774 1.00 0.00 O ATOM 514 CB ILE A 33 8.581 -6.904 3.948 1.00 0.00 C ATOM 515 CG1 ILE A 33 8.018 -8.213 3.394 1.00 0.00 C ATOM 516 CG2 ILE A 33 9.185 -6.065 2.831 1.00 0.00 C ATOM 517 CD1 ILE A 33 6.998 -8.016 2.294 1.00 0.00 C ATOM 0 H ILE A 33 8.117 -8.077 6.171 1.00 0.00 H new ATOM 0 HA ILE A 33 10.502 -7.664 4.577 1.00 0.00 H new ATOM 0 HB ILE A 33 7.763 -6.340 4.396 1.00 0.00 H new ATOM 0 HG12 ILE A 33 8.839 -8.819 3.012 1.00 0.00 H new ATOM 0 HG13 ILE A 33 7.559 -8.775 4.208 1.00 0.00 H new ATOM 0 HG21 ILE A 33 8.428 -5.872 2.071 1.00 0.00 H new ATOM 0 HG22 ILE A 33 9.540 -5.118 3.238 1.00 0.00 H new ATOM 0 HG23 ILE A 33 10.020 -6.603 2.383 1.00 0.00 H new ATOM 0 HD11 ILE A 33 6.642 -8.987 1.949 1.00 0.00 H new ATOM 0 HD12 ILE A 33 6.158 -7.437 2.677 1.00 0.00 H new ATOM 0 HD13 ILE A 33 7.458 -7.482 1.462 1.00 0.00 H new ATOM 529 N GLN A 34 10.910 -5.143 4.970 1.00 0.00 N ATOM 530 CA GLN A 34 11.403 -3.857 5.450 1.00 0.00 C ATOM 531 C GLN A 34 11.070 -2.751 4.454 1.00 0.00 C ATOM 532 O GLN A 34 11.926 -1.942 4.094 1.00 0.00 O ATOM 533 CB GLN A 34 12.915 -3.918 5.681 1.00 0.00 C ATOM 534 CG GLN A 34 13.372 -5.184 6.389 1.00 0.00 C ATOM 535 CD GLN A 34 14.297 -6.030 5.535 1.00 0.00 C ATOM 536 OE1 GLN A 34 15.284 -6.578 6.025 1.00 0.00 O ATOM 537 NE2 GLN A 34 13.980 -6.141 4.250 1.00 0.00 N ATOM 0 H GLN A 34 11.275 -5.419 4.058 1.00 0.00 H new ATOM 0 HA GLN A 34 10.912 -3.633 6.397 1.00 0.00 H new ATOM 0 HB2 GLN A 34 13.424 -3.845 4.720 1.00 0.00 H new ATOM 0 HB3 GLN A 34 13.219 -3.052 6.269 1.00 0.00 H new ATOM 0 HG2 GLN A 34 13.883 -4.914 7.313 1.00 0.00 H new ATOM 0 HG3 GLN A 34 12.499 -5.775 6.668 1.00 0.00 H new ATOM 0 HE21 GLN A 34 13.152 -5.669 3.886 1.00 0.00 H new ATOM 0 HE22 GLN A 34 14.565 -6.698 3.627 1.00 0.00 H new ATOM 546 N TYR A 35 9.819 -2.729 4.009 1.00 0.00 N ATOM 547 CA TYR A 35 9.362 -1.732 3.049 1.00 0.00 C ATOM 548 C TYR A 35 8.991 -0.425 3.745 1.00 0.00 C ATOM 549 O TYR A 35 8.815 -0.385 4.963 1.00 0.00 O ATOM 550 CB TYR A 35 8.161 -2.269 2.260 1.00 0.00 C ATOM 551 CG TYR A 35 6.892 -2.389 3.078 1.00 0.00 C ATOM 552 CD1 TYR A 35 6.717 -3.430 3.983 1.00 0.00 C ATOM 553 CD2 TYR A 35 5.871 -1.457 2.947 1.00 0.00 C ATOM 554 CE1 TYR A 35 5.560 -3.537 4.732 1.00 0.00 C ATOM 555 CE2 TYR A 35 4.712 -1.558 3.693 1.00 0.00 C ATOM 556 CZ TYR A 35 4.562 -2.599 4.583 1.00 0.00 C ATOM 557 OH TYR A 35 3.409 -2.702 5.328 1.00 0.00 O ATOM 0 H TYR A 35 9.101 -3.393 4.299 1.00 0.00 H new ATOM 0 HA TYR A 35 10.181 -1.528 2.359 1.00 0.00 H new ATOM 0 HB2 TYR A 35 7.973 -1.611 1.411 1.00 0.00 H new ATOM 0 HB3 TYR A 35 8.414 -3.249 1.855 1.00 0.00 H new ATOM 0 HD1 TYR A 35 7.497 -4.167 4.103 1.00 0.00 H new ATOM 0 HD2 TYR A 35 5.985 -0.639 2.250 1.00 0.00 H new ATOM 0 HE1 TYR A 35 5.439 -4.352 5.430 1.00 0.00 H new ATOM 0 HE2 TYR A 35 3.928 -0.824 3.579 1.00 0.00 H new ATOM 0 HH TYR A 35 2.808 -1.961 5.104 1.00 0.00 H new ATOM 567 N GLN A 36 8.869 0.641 2.959 1.00 0.00 N ATOM 568 CA GLN A 36 8.514 1.949 3.486 1.00 0.00 C ATOM 569 C GLN A 36 7.000 2.120 3.490 1.00 0.00 C ATOM 570 O GLN A 36 6.290 1.449 2.742 1.00 0.00 O ATOM 571 CB GLN A 36 9.172 3.048 2.647 1.00 0.00 C ATOM 572 CG GLN A 36 8.752 4.455 3.037 1.00 0.00 C ATOM 573 CD GLN A 36 9.188 4.826 4.441 1.00 0.00 C ATOM 574 OE1 GLN A 36 8.389 4.804 5.378 1.00 0.00 O ATOM 575 NE2 GLN A 36 10.461 5.170 4.594 1.00 0.00 N ATOM 0 H GLN A 36 9.012 0.621 1.949 1.00 0.00 H new ATOM 0 HA GLN A 36 8.875 2.028 4.511 1.00 0.00 H new ATOM 0 HB2 GLN A 36 10.255 2.964 2.740 1.00 0.00 H new ATOM 0 HB3 GLN A 36 8.929 2.885 1.597 1.00 0.00 H new ATOM 0 HG2 GLN A 36 9.177 5.166 2.329 1.00 0.00 H new ATOM 0 HG3 GLN A 36 7.668 4.540 2.963 1.00 0.00 H new ATOM 0 HE21 GLN A 36 11.088 5.174 3.790 1.00 0.00 H new ATOM 0 HE22 GLN A 36 10.812 5.430 5.516 1.00 0.00 H new ATOM 584 N LEU A 37 6.509 3.015 4.335 1.00 0.00 N ATOM 585 CA LEU A 37 5.081 3.260 4.431 1.00 0.00 C ATOM 586 C LEU A 37 4.787 4.751 4.448 1.00 0.00 C ATOM 587 O LEU A 37 4.914 5.409 5.480 1.00 0.00 O ATOM 588 CB LEU A 37 4.516 2.603 5.688 1.00 0.00 C ATOM 589 CG LEU A 37 2.993 2.471 5.722 1.00 0.00 C ATOM 590 CD1 LEU A 37 2.565 1.103 5.214 1.00 0.00 C ATOM 591 CD2 LEU A 37 2.468 2.706 7.131 1.00 0.00 C ATOM 0 H LEU A 37 7.079 3.582 4.962 1.00 0.00 H new ATOM 0 HA LEU A 37 4.602 2.824 3.554 1.00 0.00 H new ATOM 0 HB2 LEU A 37 4.954 1.610 5.788 1.00 0.00 H new ATOM 0 HB3 LEU A 37 4.835 3.181 6.556 1.00 0.00 H new ATOM 0 HG LEU A 37 2.567 3.230 5.066 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.478 1.027 5.245 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.908 0.972 4.188 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.001 0.328 5.844 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.382 2.608 7.136 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.902 1.970 7.808 1.00 0.00 H new ATOM 0 HD23 LEU A 37 2.743 3.708 7.459 1.00 0.00 H new ATOM 603 N VAL A 38 4.382 5.276 3.301 1.00 0.00 N ATOM 604 CA VAL A 38 4.059 6.691 3.193 1.00 0.00 C ATOM 605 C VAL A 38 2.666 6.952 3.743 1.00 0.00 C ATOM 606 O VAL A 38 1.695 7.065 2.996 1.00 0.00 O ATOM 607 CB VAL A 38 4.140 7.206 1.740 1.00 0.00 C ATOM 608 CG1 VAL A 38 5.575 7.560 1.382 1.00 0.00 C ATOM 609 CG2 VAL A 38 3.576 6.186 0.763 1.00 0.00 C ATOM 0 H VAL A 38 4.270 4.747 2.436 1.00 0.00 H new ATOM 0 HA VAL A 38 4.803 7.232 3.778 1.00 0.00 H new ATOM 0 HB VAL A 38 3.532 8.108 1.666 1.00 0.00 H new ATOM 0 HG11 VAL A 38 5.615 7.921 0.354 1.00 0.00 H new ATOM 0 HG12 VAL A 38 5.937 8.338 2.055 1.00 0.00 H new ATOM 0 HG13 VAL A 38 6.203 6.675 1.480 1.00 0.00 H new ATOM 0 HG21 VAL A 38 3.647 6.577 -0.252 1.00 0.00 H new ATOM 0 HG22 VAL A 38 4.145 5.259 0.835 1.00 0.00 H new ATOM 0 HG23 VAL A 38 2.531 5.990 1.004 1.00 0.00 H new ATOM 619 N ASP A 39 2.578 7.034 5.063 1.00 0.00 N ATOM 620 CA ASP A 39 1.302 7.266 5.728 1.00 0.00 C ATOM 621 C ASP A 39 0.909 8.738 5.656 1.00 0.00 C ATOM 622 O ASP A 39 1.571 9.601 6.231 1.00 0.00 O ATOM 623 CB ASP A 39 1.378 6.818 7.188 1.00 0.00 C ATOM 624 CG ASP A 39 0.056 6.283 7.698 1.00 0.00 C ATOM 625 OD1 ASP A 39 -0.932 7.047 7.698 1.00 0.00 O ATOM 626 OD2 ASP A 39 0.007 5.100 8.097 1.00 0.00 O ATOM 0 H ASP A 39 3.374 6.944 5.695 1.00 0.00 H new ATOM 0 HA ASP A 39 0.540 6.681 5.213 1.00 0.00 H new ATOM 0 HB2 ASP A 39 2.142 6.047 7.289 1.00 0.00 H new ATOM 0 HB3 ASP A 39 1.690 7.659 7.807 1.00 0.00 H new ATOM 631 N ILE A 40 -0.174 9.010 4.933 1.00 0.00 N ATOM 632 CA ILE A 40 -0.669 10.372 4.764 1.00 0.00 C ATOM 633 C ILE A 40 -1.316 10.904 6.041 1.00 0.00 C ATOM 634 O ILE A 40 -1.572 12.102 6.161 1.00 0.00 O ATOM 635 CB ILE A 40 -1.690 10.457 3.611 1.00 0.00 C ATOM 636 CG1 ILE A 40 -2.869 9.513 3.867 1.00 0.00 C ATOM 637 CG2 ILE A 40 -1.020 10.130 2.283 1.00 0.00 C ATOM 638 CD1 ILE A 40 -3.912 9.534 2.770 1.00 0.00 C ATOM 0 H ILE A 40 -0.728 8.301 4.453 1.00 0.00 H new ATOM 0 HA ILE A 40 0.198 10.988 4.526 1.00 0.00 H new ATOM 0 HB ILE A 40 -2.072 11.477 3.562 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -2.492 8.496 3.979 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -3.342 9.783 4.811 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -1.754 10.194 1.480 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -0.215 10.841 2.097 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -0.611 9.120 2.321 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -4.716 8.842 3.019 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -4.317 10.541 2.673 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -3.454 9.234 1.827 1.00 0.00 H new ATOM 650 N SER A 41 -1.578 10.013 6.994 1.00 0.00 N ATOM 651 CA SER A 41 -2.192 10.408 8.256 1.00 0.00 C ATOM 652 C SER A 41 -1.321 11.423 8.990 1.00 0.00 C ATOM 653 O SER A 41 -1.816 12.221 9.786 1.00 0.00 O ATOM 654 CB SER A 41 -2.424 9.183 9.142 1.00 0.00 C ATOM 655 OG SER A 41 -3.201 9.515 10.280 1.00 0.00 O ATOM 0 H SER A 41 -1.375 9.016 6.916 1.00 0.00 H new ATOM 0 HA SER A 41 -3.153 10.873 8.033 1.00 0.00 H new ATOM 0 HB2 SER A 41 -2.928 8.406 8.568 1.00 0.00 H new ATOM 0 HB3 SER A 41 -1.465 8.773 9.460 1.00 0.00 H new ATOM 0 HG SER A 41 -4.152 9.399 10.072 1.00 0.00 H new ATOM 661 N GLN A 42 -0.021 11.387 8.715 1.00 0.00 N ATOM 662 CA GLN A 42 0.922 12.303 9.345 1.00 0.00 C ATOM 663 C GLN A 42 0.545 13.752 9.059 1.00 0.00 C ATOM 664 O GLN A 42 0.166 14.497 9.963 1.00 0.00 O ATOM 665 CB GLN A 42 2.340 12.027 8.842 1.00 0.00 C ATOM 666 CG GLN A 42 3.411 12.825 9.568 1.00 0.00 C ATOM 667 CD GLN A 42 3.566 14.229 9.018 1.00 0.00 C ATOM 668 OE1 GLN A 42 3.075 15.195 9.602 1.00 0.00 O ATOM 669 NE2 GLN A 42 4.252 14.350 7.888 1.00 0.00 N ATOM 0 H GLN A 42 0.404 10.732 8.059 1.00 0.00 H new ATOM 0 HA GLN A 42 0.885 12.142 10.422 1.00 0.00 H new ATOM 0 HB2 GLN A 42 2.555 10.964 8.951 1.00 0.00 H new ATOM 0 HB3 GLN A 42 2.389 12.254 7.777 1.00 0.00 H new ATOM 0 HG2 GLN A 42 3.162 12.879 10.628 1.00 0.00 H new ATOM 0 HG3 GLN A 42 4.364 12.301 9.491 1.00 0.00 H new ATOM 0 HE21 GLN A 42 4.642 13.522 7.437 1.00 0.00 H new ATOM 0 HE22 GLN A 42 4.389 15.271 7.471 1.00 0.00 H new ATOM 678 N ASP A 43 0.653 14.145 7.795 1.00 0.00 N ATOM 679 CA ASP A 43 0.324 15.505 7.385 1.00 0.00 C ATOM 680 C ASP A 43 -0.813 15.507 6.369 1.00 0.00 C ATOM 681 O ASP A 43 -0.950 14.576 5.574 1.00 0.00 O ATOM 682 CB ASP A 43 1.555 16.193 6.792 1.00 0.00 C ATOM 683 CG ASP A 43 1.616 17.668 7.137 1.00 0.00 C ATOM 684 OD1 ASP A 43 0.952 18.078 8.112 1.00 0.00 O ATOM 685 OD2 ASP A 43 2.329 18.414 6.433 1.00 0.00 O ATOM 0 H ASP A 43 0.966 13.540 7.036 1.00 0.00 H new ATOM 0 HA ASP A 43 -0.001 16.055 8.268 1.00 0.00 H new ATOM 0 HB2 ASP A 43 2.455 15.700 7.158 1.00 0.00 H new ATOM 0 HB3 ASP A 43 1.546 16.076 5.708 1.00 0.00 H new ATOM 690 N ASN A 44 -1.625 16.557 6.399 1.00 0.00 N ATOM 691 CA ASN A 44 -2.751 16.681 5.481 1.00 0.00 C ATOM 692 C ASN A 44 -2.269 16.850 4.043 1.00 0.00 C ATOM 693 O ASN A 44 -2.984 16.522 3.096 1.00 0.00 O ATOM 694 CB ASN A 44 -3.633 17.866 5.877 1.00 0.00 C ATOM 695 CG ASN A 44 -4.390 17.618 7.167 1.00 0.00 C ATOM 696 OD1 ASN A 44 -5.493 17.074 7.158 1.00 0.00 O ATOM 697 ND2 ASN A 44 -3.798 18.019 8.287 1.00 0.00 N ATOM 0 H ASN A 44 -1.525 17.336 7.050 1.00 0.00 H new ATOM 0 HA ASN A 44 -3.337 15.764 5.543 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -3.013 18.756 5.988 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -4.343 18.070 5.076 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -4.259 17.880 9.186 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -2.882 18.466 8.248 1.00 0.00 H new ATOM 704 N ALA A 45 -1.053 17.366 3.884 1.00 0.00 N ATOM 705 CA ALA A 45 -0.481 17.579 2.560 1.00 0.00 C ATOM 706 C ALA A 45 -0.382 16.270 1.788 1.00 0.00 C ATOM 707 O ALA A 45 -0.696 16.213 0.599 1.00 0.00 O ATOM 708 CB ALA A 45 0.888 18.232 2.675 1.00 0.00 C ATOM 0 H ALA A 45 -0.446 17.644 4.655 1.00 0.00 H new ATOM 0 HA ALA A 45 -1.144 18.246 2.008 1.00 0.00 H new ATOM 0 HB1 ALA A 45 1.303 18.385 1.679 1.00 0.00 H new ATOM 0 HB2 ALA A 45 0.791 19.193 3.179 1.00 0.00 H new ATOM 0 HB3 ALA A 45 1.552 17.586 3.249 1.00 0.00 H new ATOM 714 N LEU A 46 0.056 15.220 2.471 1.00 0.00 N ATOM 715 CA LEU A 46 0.195 13.909 1.851 1.00 0.00 C ATOM 716 C LEU A 46 -1.154 13.398 1.358 1.00 0.00 C ATOM 717 O LEU A 46 -1.241 12.745 0.318 1.00 0.00 O ATOM 718 CB LEU A 46 0.800 12.912 2.842 1.00 0.00 C ATOM 719 CG LEU A 46 2.217 13.249 3.316 1.00 0.00 C ATOM 720 CD1 LEU A 46 2.180 13.911 4.685 1.00 0.00 C ATOM 721 CD2 LEU A 46 3.080 11.996 3.351 1.00 0.00 C ATOM 0 H LEU A 46 0.321 15.251 3.455 1.00 0.00 H new ATOM 0 HA LEU A 46 0.863 14.008 0.995 1.00 0.00 H new ATOM 0 HB2 LEU A 46 0.148 12.847 3.713 1.00 0.00 H new ATOM 0 HB3 LEU A 46 0.813 11.925 2.379 1.00 0.00 H new ATOM 0 HG LEU A 46 2.658 13.951 2.608 1.00 0.00 H new ATOM 0 HD11 LEU A 46 3.196 14.143 5.005 1.00 0.00 H new ATOM 0 HD12 LEU A 46 1.598 14.831 4.629 1.00 0.00 H new ATOM 0 HD13 LEU A 46 1.719 13.234 5.404 1.00 0.00 H new ATOM 0 HD21 LEU A 46 4.083 12.254 3.690 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.641 11.271 4.036 1.00 0.00 H new ATOM 0 HD23 LEU A 46 3.135 11.564 2.352 1.00 0.00 H new ATOM 733 N ARG A 47 -2.205 13.703 2.112 1.00 0.00 N ATOM 734 CA ARG A 47 -3.553 13.278 1.753 1.00 0.00 C ATOM 735 C ARG A 47 -3.989 13.906 0.434 1.00 0.00 C ATOM 736 O ARG A 47 -4.411 13.208 -0.489 1.00 0.00 O ATOM 737 CB ARG A 47 -4.540 13.653 2.860 1.00 0.00 C ATOM 738 CG ARG A 47 -4.439 12.768 4.091 1.00 0.00 C ATOM 739 CD ARG A 47 -5.545 13.073 5.089 1.00 0.00 C ATOM 740 NE ARG A 47 -5.194 12.649 6.442 1.00 0.00 N ATOM 741 CZ ARG A 47 -5.880 12.996 7.529 1.00 0.00 C ATOM 742 NH1 ARG A 47 -6.951 13.773 7.426 1.00 0.00 N ATOM 743 NH2 ARG A 47 -5.493 12.566 8.722 1.00 0.00 N ATOM 0 H ARG A 47 -2.149 14.243 2.976 1.00 0.00 H new ATOM 0 HA ARG A 47 -3.545 12.195 1.633 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -4.368 14.689 3.153 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -5.554 13.597 2.465 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -4.495 11.721 3.793 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -3.469 12.913 4.566 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -5.750 14.143 5.086 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -6.462 12.572 4.778 1.00 0.00 H new ATOM 0 HE ARG A 47 -4.375 12.052 6.561 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -7.252 14.107 6.511 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -7.473 14.036 8.262 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -4.670 11.970 8.807 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -6.018 12.832 9.555 1.00 0.00 H new ATOM 757 N ASP A 48 -3.884 15.229 0.349 1.00 0.00 N ATOM 758 CA ASP A 48 -4.270 15.949 -0.860 1.00 0.00 C ATOM 759 C ASP A 48 -3.181 15.893 -1.922 1.00 0.00 C ATOM 760 O ASP A 48 -3.330 16.440 -3.015 1.00 0.00 O ATOM 761 CB ASP A 48 -4.615 17.401 -0.531 1.00 0.00 C ATOM 762 CG ASP A 48 -6.111 17.646 -0.489 1.00 0.00 C ATOM 763 OD1 ASP A 48 -6.731 17.354 0.555 1.00 0.00 O ATOM 764 OD2 ASP A 48 -6.662 18.131 -1.499 1.00 0.00 O ATOM 0 H ASP A 48 -3.536 15.823 1.101 1.00 0.00 H new ATOM 0 HA ASP A 48 -5.154 15.457 -1.266 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -4.179 17.665 0.433 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -4.163 18.056 -1.276 1.00 0.00 H new ATOM 769 N GLU A 49 -2.098 15.218 -1.595 1.00 0.00 N ATOM 770 CA GLU A 49 -0.979 15.063 -2.513 1.00 0.00 C ATOM 771 C GLU A 49 -1.037 13.694 -3.176 1.00 0.00 C ATOM 772 O GLU A 49 -0.653 13.533 -4.334 1.00 0.00 O ATOM 773 CB GLU A 49 0.350 15.234 -1.773 1.00 0.00 C ATOM 774 CG GLU A 49 1.571 15.043 -2.658 1.00 0.00 C ATOM 775 CD GLU A 49 1.710 16.133 -3.703 1.00 0.00 C ATOM 776 OE1 GLU A 49 1.539 17.318 -3.350 1.00 0.00 O ATOM 777 OE2 GLU A 49 1.991 15.800 -4.874 1.00 0.00 O ATOM 0 H GLU A 49 -1.965 14.762 -0.692 1.00 0.00 H new ATOM 0 HA GLU A 49 -1.048 15.834 -3.281 1.00 0.00 H new ATOM 0 HB2 GLU A 49 0.384 16.230 -1.332 1.00 0.00 H new ATOM 0 HB3 GLU A 49 0.393 14.519 -0.951 1.00 0.00 H new ATOM 0 HG2 GLU A 49 2.466 15.024 -2.037 1.00 0.00 H new ATOM 0 HG3 GLU A 49 1.507 14.075 -3.155 1.00 0.00 H new ATOM 784 N MET A 50 -1.531 12.713 -2.428 1.00 0.00 N ATOM 785 CA MET A 50 -1.655 11.352 -2.930 1.00 0.00 C ATOM 786 C MET A 50 -2.877 11.224 -3.832 1.00 0.00 C ATOM 787 O MET A 50 -2.878 10.445 -4.786 1.00 0.00 O ATOM 788 CB MET A 50 -1.762 10.368 -1.763 1.00 0.00 C ATOM 789 CG MET A 50 -1.631 8.913 -2.178 1.00 0.00 C ATOM 790 SD MET A 50 -3.173 8.230 -2.815 1.00 0.00 S ATOM 791 CE MET A 50 -3.910 7.597 -1.311 1.00 0.00 C ATOM 0 H MET A 50 -1.853 12.837 -1.468 1.00 0.00 H new ATOM 0 HA MET A 50 -0.765 11.117 -3.514 1.00 0.00 H new ATOM 0 HB2 MET A 50 -0.987 10.599 -1.032 1.00 0.00 H new ATOM 0 HB3 MET A 50 -2.722 10.510 -1.266 1.00 0.00 H new ATOM 0 HG2 MET A 50 -0.857 8.825 -2.940 1.00 0.00 H new ATOM 0 HG3 MET A 50 -1.303 8.323 -1.322 1.00 0.00 H new ATOM 0 HE1 MET A 50 -4.873 7.142 -1.541 1.00 0.00 H new ATOM 0 HE2 MET A 50 -3.251 6.849 -0.870 1.00 0.00 H new ATOM 0 HE3 MET A 50 -4.055 8.414 -0.605 1.00 0.00 H new ATOM 801 N ARG A 51 -3.916 11.998 -3.527 1.00 0.00 N ATOM 802 CA ARG A 51 -5.146 11.975 -4.314 1.00 0.00 C ATOM 803 C ARG A 51 -4.837 12.129 -5.801 1.00 0.00 C ATOM 804 O ARG A 51 -5.286 11.333 -6.625 1.00 0.00 O ATOM 805 CB ARG A 51 -6.091 13.088 -3.855 1.00 0.00 C ATOM 806 CG ARG A 51 -7.174 12.611 -2.899 1.00 0.00 C ATOM 807 CD ARG A 51 -6.590 11.839 -1.726 1.00 0.00 C ATOM 808 NE ARG A 51 -6.936 12.449 -0.443 1.00 0.00 N ATOM 809 CZ ARG A 51 -8.178 12.530 0.028 1.00 0.00 C ATOM 810 NH1 ARG A 51 -9.194 12.040 -0.672 1.00 0.00 N ATOM 811 NH2 ARG A 51 -8.405 13.101 1.203 1.00 0.00 N ATOM 0 H ARG A 51 -3.931 12.648 -2.741 1.00 0.00 H new ATOM 0 HA ARG A 51 -5.633 11.012 -4.160 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -5.508 13.871 -3.369 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -6.562 13.537 -4.729 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -7.734 13.469 -2.527 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -7.880 11.978 -3.436 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -6.955 10.812 -1.750 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -5.505 11.794 -1.825 1.00 0.00 H new ATOM 0 HE ARG A 51 -6.181 12.835 0.124 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -9.025 11.599 -1.576 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -10.144 12.105 -0.306 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -7.628 13.478 1.745 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -9.357 13.163 1.564 1.00 0.00 H new ATOM 825 N ALA A 52 -4.058 13.154 -6.133 1.00 0.00 N ATOM 826 CA ALA A 52 -3.678 13.404 -7.516 1.00 0.00 C ATOM 827 C ALA A 52 -2.599 12.423 -7.957 1.00 0.00 C ATOM 828 O ALA A 52 -2.550 12.014 -9.117 1.00 0.00 O ATOM 829 CB ALA A 52 -3.196 14.837 -7.683 1.00 0.00 C ATOM 0 H ALA A 52 -3.679 13.823 -5.463 1.00 0.00 H new ATOM 0 HA ALA A 52 -4.554 13.259 -8.148 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -2.916 15.008 -8.722 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -3.995 15.524 -7.405 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -2.331 15.007 -7.041 1.00 0.00 H new ATOM 835 N LEU A 53 -1.739 12.045 -7.016 1.00 0.00 N ATOM 836 CA LEU A 53 -0.660 11.105 -7.295 1.00 0.00 C ATOM 837 C LEU A 53 -1.221 9.750 -7.718 1.00 0.00 C ATOM 838 O LEU A 53 -0.594 9.019 -8.485 1.00 0.00 O ATOM 839 CB LEU A 53 0.226 10.939 -6.057 1.00 0.00 C ATOM 840 CG LEU A 53 1.725 11.125 -6.299 1.00 0.00 C ATOM 841 CD1 LEU A 53 1.996 12.435 -7.027 1.00 0.00 C ATOM 842 CD2 LEU A 53 2.484 11.077 -4.981 1.00 0.00 C ATOM 0 H LEU A 53 -1.769 12.376 -6.052 1.00 0.00 H new ATOM 0 HA LEU A 53 -0.061 11.503 -8.114 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.095 11.656 -5.301 1.00 0.00 H new ATOM 0 HB3 LEU A 53 0.062 9.944 -5.643 1.00 0.00 H new ATOM 0 HG LEU A 53 2.075 10.308 -6.930 1.00 0.00 H new ATOM 0 HD11 LEU A 53 3.068 12.546 -7.188 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.483 12.430 -7.989 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.631 13.268 -6.426 1.00 0.00 H new ATOM 0 HD21 LEU A 53 3.549 11.211 -5.169 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.128 11.873 -4.327 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.319 10.112 -4.501 1.00 0.00 H new ATOM 854 N ALA A 54 -2.404 9.422 -7.208 1.00 0.00 N ATOM 855 CA ALA A 54 -3.051 8.155 -7.526 1.00 0.00 C ATOM 856 C ALA A 54 -4.015 8.290 -8.703 1.00 0.00 C ATOM 857 O ALA A 54 -4.652 7.316 -9.104 1.00 0.00 O ATOM 858 CB ALA A 54 -3.782 7.622 -6.303 1.00 0.00 C ATOM 0 H ALA A 54 -2.934 10.017 -6.572 1.00 0.00 H new ATOM 0 HA ALA A 54 -2.274 7.449 -7.819 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -4.262 6.675 -6.550 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -3.070 7.467 -5.492 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -4.538 8.341 -5.989 1.00 0.00 H new ATOM 864 N GLY A 55 -4.123 9.496 -9.256 1.00 0.00 N ATOM 865 CA GLY A 55 -5.017 9.717 -10.380 1.00 0.00 C ATOM 866 C GLY A 55 -6.442 9.296 -10.075 1.00 0.00 C ATOM 867 O GLY A 55 -7.075 8.599 -10.868 1.00 0.00 O ATOM 0 H GLY A 55 -3.609 10.321 -8.947 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -5.003 10.773 -10.650 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -4.654 9.162 -11.245 1.00 0.00 H new ATOM 871 N ASN A 56 -6.944 9.720 -8.920 1.00 0.00 N ATOM 872 CA ASN A 56 -8.300 9.390 -8.497 1.00 0.00 C ATOM 873 C ASN A 56 -8.532 9.863 -7.082 1.00 0.00 C ATOM 874 O ASN A 56 -7.869 9.421 -6.144 1.00 0.00 O ATOM 875 CB ASN A 56 -8.570 7.884 -8.602 1.00 0.00 C ATOM 876 CG ASN A 56 -7.344 7.043 -8.301 1.00 0.00 C ATOM 877 OD1 ASN A 56 -6.896 6.258 -9.136 1.00 0.00 O ATOM 878 ND2 ASN A 56 -6.796 7.202 -7.102 1.00 0.00 N ATOM 0 H ASN A 56 -6.428 10.297 -8.256 1.00 0.00 H new ATOM 0 HA ASN A 56 -8.993 9.901 -9.165 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -9.368 7.614 -7.911 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -8.926 7.653 -9.606 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -5.971 6.662 -6.843 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -7.200 7.864 -6.440 1.00 0.00 H new ATOM 885 N PRO A 57 -9.477 10.792 -6.915 1.00 0.00 N ATOM 886 CA PRO A 57 -9.805 11.358 -5.625 1.00 0.00 C ATOM 887 C PRO A 57 -10.827 10.525 -4.857 1.00 0.00 C ATOM 888 O PRO A 57 -11.552 11.041 -4.006 1.00 0.00 O ATOM 889 CB PRO A 57 -10.377 12.732 -5.990 1.00 0.00 C ATOM 890 CG PRO A 57 -10.458 12.791 -7.483 1.00 0.00 C ATOM 891 CD PRO A 57 -10.297 11.389 -7.971 1.00 0.00 C ATOM 0 HA PRO A 57 -8.941 11.401 -4.962 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -11.362 12.870 -5.545 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -9.740 13.529 -5.607 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -11.413 13.206 -7.804 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -9.678 13.435 -7.889 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -11.256 10.882 -8.079 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -9.804 11.349 -8.942 1.00 0.00 H new ATOM 899 N LYS A 58 -10.870 9.234 -5.159 1.00 0.00 N ATOM 900 CA LYS A 58 -11.789 8.317 -4.495 1.00 0.00 C ATOM 901 C LYS A 58 -11.038 7.115 -3.919 1.00 0.00 C ATOM 902 O LYS A 58 -11.641 6.229 -3.314 1.00 0.00 O ATOM 903 CB LYS A 58 -12.864 7.842 -5.475 1.00 0.00 C ATOM 904 CG LYS A 58 -14.181 8.589 -5.341 1.00 0.00 C ATOM 905 CD LYS A 58 -15.298 7.890 -6.100 1.00 0.00 C ATOM 906 CE LYS A 58 -16.606 7.928 -5.327 1.00 0.00 C ATOM 907 NZ LYS A 58 -16.860 6.653 -4.601 1.00 0.00 N ATOM 0 H LYS A 58 -10.276 8.796 -5.863 1.00 0.00 H new ATOM 0 HA LYS A 58 -12.267 8.851 -3.674 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -12.492 7.957 -6.493 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -13.042 6.778 -5.319 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -14.450 8.669 -4.288 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -14.064 9.605 -5.718 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -15.434 8.367 -7.070 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -15.017 6.854 -6.291 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -16.583 8.753 -4.615 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -17.429 8.124 -6.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -17.761 6.720 -4.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -16.908 5.869 -5.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -16.088 6.478 -3.926 1.00 0.00 H new ATOM 921 N ALA A 59 -9.719 7.089 -4.112 1.00 0.00 N ATOM 922 CA ALA A 59 -8.891 5.998 -3.614 1.00 0.00 C ATOM 923 C ALA A 59 -9.011 5.861 -2.098 1.00 0.00 C ATOM 924 O ALA A 59 -9.951 6.373 -1.491 1.00 0.00 O ATOM 925 CB ALA A 59 -7.439 6.217 -4.021 1.00 0.00 C ATOM 0 H ALA A 59 -9.203 7.814 -4.611 1.00 0.00 H new ATOM 0 HA ALA A 59 -9.246 5.068 -4.059 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -6.828 5.397 -3.644 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -7.367 6.253 -5.108 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -7.082 7.158 -3.602 1.00 0.00 H new ATOM 931 N THR A 60 -8.051 5.166 -1.493 1.00 0.00 N ATOM 932 CA THR A 60 -8.046 4.958 -0.051 1.00 0.00 C ATOM 933 C THR A 60 -6.615 4.905 0.479 1.00 0.00 C ATOM 934 O THR A 60 -5.672 4.696 -0.285 1.00 0.00 O ATOM 935 CB THR A 60 -8.784 3.664 0.297 1.00 0.00 C ATOM 936 OG1 THR A 60 -8.241 2.570 -0.421 1.00 0.00 O ATOM 937 CG2 THR A 60 -10.266 3.721 -0.004 1.00 0.00 C ATOM 0 H THR A 60 -7.265 4.737 -1.982 1.00 0.00 H new ATOM 0 HA THR A 60 -8.559 5.796 0.421 1.00 0.00 H new ATOM 0 HB THR A 60 -8.653 3.536 1.371 1.00 0.00 H new ATOM 0 HG1 THR A 60 -8.724 1.751 -0.184 1.00 0.00 H new ATOM 0 HG21 THR A 60 -10.729 2.772 0.266 1.00 0.00 H new ATOM 0 HG22 THR A 60 -10.724 4.525 0.572 1.00 0.00 H new ATOM 0 HG23 THR A 60 -10.414 3.907 -1.068 1.00 0.00 H new ATOM 945 N PRO A 61 -6.429 5.094 1.797 1.00 0.00 N ATOM 946 CA PRO A 61 -5.104 5.066 2.418 1.00 0.00 C ATOM 947 C PRO A 61 -4.239 3.901 1.931 1.00 0.00 C ATOM 948 O PRO A 61 -3.092 4.104 1.535 1.00 0.00 O ATOM 949 CB PRO A 61 -5.418 4.927 3.907 1.00 0.00 C ATOM 950 CG PRO A 61 -6.745 5.583 4.072 1.00 0.00 C ATOM 951 CD PRO A 61 -7.496 5.351 2.786 1.00 0.00 C ATOM 0 HA PRO A 61 -4.522 5.954 2.171 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -5.453 3.880 4.209 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -4.657 5.411 4.520 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -7.285 5.160 4.919 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -6.630 6.649 4.268 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -8.178 4.505 2.868 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -8.096 6.218 2.511 1.00 0.00 H new ATOM 959 N PRO A 62 -4.767 2.660 1.948 1.00 0.00 N ATOM 960 CA PRO A 62 -4.011 1.484 1.499 1.00 0.00 C ATOM 961 C PRO A 62 -3.679 1.540 0.011 1.00 0.00 C ATOM 962 O PRO A 62 -4.395 0.977 -0.817 1.00 0.00 O ATOM 963 CB PRO A 62 -4.949 0.311 1.795 1.00 0.00 C ATOM 964 CG PRO A 62 -6.310 0.912 1.849 1.00 0.00 C ATOM 965 CD PRO A 62 -6.126 2.299 2.398 1.00 0.00 C ATOM 0 HA PRO A 62 -3.048 1.408 2.003 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -4.885 -0.452 1.019 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -4.693 -0.171 2.738 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -6.764 0.941 0.858 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -6.972 0.324 2.486 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -6.876 2.989 2.010 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -6.209 2.317 3.485 1.00 0.00 H new ATOM 973 N GLN A 63 -2.587 2.221 -0.320 1.00 0.00 N ATOM 974 CA GLN A 63 -2.153 2.351 -1.706 1.00 0.00 C ATOM 975 C GLN A 63 -0.654 2.102 -1.826 1.00 0.00 C ATOM 976 O GLN A 63 0.158 2.907 -1.370 1.00 0.00 O ATOM 977 CB GLN A 63 -2.496 3.743 -2.243 1.00 0.00 C ATOM 978 CG GLN A 63 -3.967 3.918 -2.582 1.00 0.00 C ATOM 979 CD GLN A 63 -4.342 3.271 -3.901 1.00 0.00 C ATOM 980 OE1 GLN A 63 -3.486 3.027 -4.752 1.00 0.00 O ATOM 981 NE2 GLN A 63 -5.628 2.991 -4.078 1.00 0.00 N ATOM 0 H GLN A 63 -1.985 2.693 0.355 1.00 0.00 H new ATOM 0 HA GLN A 63 -2.679 1.603 -2.299 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -2.211 4.490 -1.502 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -1.900 3.936 -3.135 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -4.573 3.488 -1.785 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -4.203 4.981 -2.623 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -6.303 3.211 -3.346 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -5.941 2.556 -4.946 1.00 0.00 H new ATOM 990 N ILE A 64 -0.292 0.979 -2.437 1.00 0.00 N ATOM 991 CA ILE A 64 1.111 0.622 -2.610 1.00 0.00 C ATOM 992 C ILE A 64 1.732 1.364 -3.789 1.00 0.00 C ATOM 993 O ILE A 64 1.138 1.456 -4.863 1.00 0.00 O ATOM 994 CB ILE A 64 1.285 -0.894 -2.822 1.00 0.00 C ATOM 995 CG1 ILE A 64 0.474 -1.673 -1.786 1.00 0.00 C ATOM 996 CG2 ILE A 64 2.757 -1.272 -2.746 1.00 0.00 C ATOM 997 CD1 ILE A 64 -0.895 -2.090 -2.279 1.00 0.00 C ATOM 0 H ILE A 64 -0.950 0.301 -2.820 1.00 0.00 H new ATOM 0 HA ILE A 64 1.623 0.915 -1.693 1.00 0.00 H new ATOM 0 HB ILE A 64 0.914 -1.153 -3.813 1.00 0.00 H new ATOM 0 HG12 ILE A 64 1.032 -2.562 -1.493 1.00 0.00 H new ATOM 0 HG13 ILE A 64 0.358 -1.061 -0.892 1.00 0.00 H new ATOM 0 HG21 ILE A 64 2.865 -2.346 -2.898 1.00 0.00 H new ATOM 0 HG22 ILE A 64 3.310 -0.739 -3.519 1.00 0.00 H new ATOM 0 HG23 ILE A 64 3.152 -1.002 -1.766 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -1.414 -2.638 -1.492 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -1.471 -1.204 -2.545 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -0.787 -2.729 -3.156 1.00 0.00 H new ATOM 1009 N VAL A 65 2.934 1.887 -3.577 1.00 0.00 N ATOM 1010 CA VAL A 65 3.647 2.620 -4.615 1.00 0.00 C ATOM 1011 C VAL A 65 5.094 2.147 -4.709 1.00 0.00 C ATOM 1012 O VAL A 65 5.745 1.897 -3.694 1.00 0.00 O ATOM 1013 CB VAL A 65 3.619 4.139 -4.345 1.00 0.00 C ATOM 1014 CG1 VAL A 65 4.418 4.904 -5.393 1.00 0.00 C ATOM 1015 CG2 VAL A 65 2.183 4.640 -4.292 1.00 0.00 C ATOM 0 H VAL A 65 3.436 1.816 -2.692 1.00 0.00 H new ATOM 0 HA VAL A 65 3.142 2.424 -5.561 1.00 0.00 H new ATOM 0 HB VAL A 65 4.088 4.318 -3.377 1.00 0.00 H new ATOM 0 HG11 VAL A 65 4.378 5.971 -5.174 1.00 0.00 H new ATOM 0 HG12 VAL A 65 5.455 4.569 -5.376 1.00 0.00 H new ATOM 0 HG13 VAL A 65 3.993 4.720 -6.380 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.179 5.713 -4.101 1.00 0.00 H new ATOM 0 HG22 VAL A 65 1.692 4.439 -5.244 1.00 0.00 H new ATOM 0 HG23 VAL A 65 1.648 4.127 -3.493 1.00 0.00 H new ATOM 1025 N ASN A 66 5.590 2.025 -5.934 1.00 0.00 N ATOM 1026 CA ASN A 66 6.960 1.579 -6.163 1.00 0.00 C ATOM 1027 C ASN A 66 7.832 2.730 -6.652 1.00 0.00 C ATOM 1028 O ASN A 66 7.877 3.026 -7.846 1.00 0.00 O ATOM 1029 CB ASN A 66 6.985 0.438 -7.181 1.00 0.00 C ATOM 1030 CG ASN A 66 8.343 -0.231 -7.266 1.00 0.00 C ATOM 1031 OD1 ASN A 66 9.008 -0.181 -8.301 1.00 0.00 O ATOM 1032 ND2 ASN A 66 8.761 -0.863 -6.176 1.00 0.00 N ATOM 0 H ASN A 66 5.065 2.228 -6.784 1.00 0.00 H new ATOM 0 HA ASN A 66 7.361 1.220 -5.215 1.00 0.00 H new ATOM 0 HB2 ASN A 66 6.234 -0.304 -6.910 1.00 0.00 H new ATOM 0 HB3 ASN A 66 6.711 0.825 -8.163 1.00 0.00 H new ATOM 0 HD21 ASN A 66 9.666 -1.333 -6.174 1.00 0.00 H new ATOM 0 HD22 ASN A 66 8.177 -0.879 -5.340 1.00 0.00 H new ATOM 1039 N GLY A 67 8.524 3.377 -5.720 1.00 0.00 N ATOM 1040 CA GLY A 67 9.386 4.488 -6.073 1.00 0.00 C ATOM 1041 C GLY A 67 8.619 5.781 -6.257 1.00 0.00 C ATOM 1042 O GLY A 67 8.460 6.556 -5.314 1.00 0.00 O ATOM 0 H GLY A 67 8.503 3.151 -4.726 1.00 0.00 H new ATOM 0 HA2 GLY A 67 10.137 4.622 -5.295 1.00 0.00 H new ATOM 0 HA3 GLY A 67 9.920 4.252 -6.994 1.00 0.00 H new ATOM 1046 N ASP A 68 8.143 6.015 -7.474 1.00 0.00 N ATOM 1047 CA ASP A 68 7.388 7.223 -7.779 1.00 0.00 C ATOM 1048 C ASP A 68 6.333 6.945 -8.844 1.00 0.00 C ATOM 1049 O ASP A 68 6.093 7.771 -9.725 1.00 0.00 O ATOM 1050 CB ASP A 68 8.330 8.332 -8.252 1.00 0.00 C ATOM 1051 CG ASP A 68 9.301 7.854 -9.314 1.00 0.00 C ATOM 1052 OD1 ASP A 68 8.956 7.931 -10.512 1.00 0.00 O ATOM 1053 OD2 ASP A 68 10.405 7.400 -8.947 1.00 0.00 O ATOM 0 H ASP A 68 8.267 5.384 -8.266 1.00 0.00 H new ATOM 0 HA ASP A 68 6.884 7.550 -6.869 1.00 0.00 H new ATOM 0 HB2 ASP A 68 7.742 9.160 -8.648 1.00 0.00 H new ATOM 0 HB3 ASP A 68 8.889 8.718 -7.400 1.00 0.00 H new ATOM 1058 N GLN A 69 5.705 5.777 -8.757 1.00 0.00 N ATOM 1059 CA GLN A 69 4.676 5.394 -9.715 1.00 0.00 C ATOM 1060 C GLN A 69 3.522 4.688 -9.013 1.00 0.00 C ATOM 1061 O GLN A 69 3.661 4.220 -7.885 1.00 0.00 O ATOM 1062 CB GLN A 69 5.268 4.485 -10.795 1.00 0.00 C ATOM 1063 CG GLN A 69 5.385 5.153 -12.155 1.00 0.00 C ATOM 1064 CD GLN A 69 5.018 4.223 -13.294 1.00 0.00 C ATOM 1065 OE1 GLN A 69 5.857 3.474 -13.794 1.00 0.00 O ATOM 1066 NE2 GLN A 69 3.758 4.266 -13.711 1.00 0.00 N ATOM 0 H GLN A 69 5.890 5.081 -8.035 1.00 0.00 H new ATOM 0 HA GLN A 69 4.293 6.300 -10.185 1.00 0.00 H new ATOM 0 HB2 GLN A 69 6.256 4.152 -10.477 1.00 0.00 H new ATOM 0 HB3 GLN A 69 4.647 3.594 -10.889 1.00 0.00 H new ATOM 0 HG2 GLN A 69 4.737 6.029 -12.183 1.00 0.00 H new ATOM 0 HG3 GLN A 69 6.406 5.508 -12.295 1.00 0.00 H new ATOM 0 HE21 GLN A 69 3.096 4.902 -13.268 1.00 0.00 H new ATOM 0 HE22 GLN A 69 3.453 3.663 -14.475 1.00 0.00 H new ATOM 1075 N TYR A 70 2.384 4.613 -9.689 1.00 0.00 N ATOM 1076 CA TYR A 70 1.208 3.963 -9.128 1.00 0.00 C ATOM 1077 C TYR A 70 1.318 2.450 -9.260 1.00 0.00 C ATOM 1078 O TYR A 70 1.091 1.891 -10.333 1.00 0.00 O ATOM 1079 CB TYR A 70 -0.058 4.458 -9.828 1.00 0.00 C ATOM 1080 CG TYR A 70 -1.313 4.297 -9.000 1.00 0.00 C ATOM 1081 CD1 TYR A 70 -1.332 4.649 -7.656 1.00 0.00 C ATOM 1082 CD2 TYR A 70 -2.479 3.793 -9.563 1.00 0.00 C ATOM 1083 CE1 TYR A 70 -2.477 4.503 -6.897 1.00 0.00 C ATOM 1084 CE2 TYR A 70 -3.629 3.645 -8.810 1.00 0.00 C ATOM 1085 CZ TYR A 70 -3.622 4.001 -7.478 1.00 0.00 C ATOM 1086 OH TYR A 70 -4.765 3.855 -6.725 1.00 0.00 O ATOM 0 H TYR A 70 2.250 4.994 -10.626 1.00 0.00 H new ATOM 0 HA TYR A 70 1.149 4.217 -8.070 1.00 0.00 H new ATOM 0 HB2 TYR A 70 0.066 5.511 -10.083 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -0.180 3.916 -10.766 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -0.437 5.043 -7.197 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -2.487 3.512 -10.606 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -2.475 4.781 -5.853 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -4.528 3.253 -9.263 1.00 0.00 H new ATOM 0 HH TYR A 70 -4.674 3.074 -6.140 1.00 0.00 H new ATOM 1096 N CYS A 71 1.672 1.792 -8.161 1.00 0.00 N ATOM 1097 CA CYS A 71 1.818 0.341 -8.155 1.00 0.00 C ATOM 1098 C CYS A 71 0.459 -0.343 -8.053 1.00 0.00 C ATOM 1099 O CYS A 71 0.138 -1.224 -8.850 1.00 0.00 O ATOM 1100 CB CYS A 71 2.712 -0.098 -6.994 1.00 0.00 C ATOM 1101 SG CYS A 71 3.606 -1.640 -7.293 1.00 0.00 S ATOM 0 H CYS A 71 1.863 2.240 -7.265 1.00 0.00 H new ATOM 0 HA CYS A 71 2.283 0.044 -9.095 1.00 0.00 H new ATOM 0 HB2 CYS A 71 3.433 0.693 -6.785 1.00 0.00 H new ATOM 0 HB3 CYS A 71 2.098 -0.214 -6.101 1.00 0.00 H new ATOM 0 HG CYS A 71 3.023 -2.610 -6.654 1.00 0.00 H new ATOM 1107 N GLY A 72 -0.340 0.068 -7.072 1.00 0.00 N ATOM 1108 CA GLY A 72 -1.655 -0.523 -6.898 1.00 0.00 C ATOM 1109 C GLY A 72 -2.291 -0.164 -5.571 1.00 0.00 C ATOM 1110 O GLY A 72 -2.120 0.949 -5.071 1.00 0.00 O ATOM 0 H GLY A 72 -0.102 0.796 -6.398 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -2.306 -0.194 -7.708 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -1.574 -1.607 -6.975 1.00 0.00 H new ATOM 1114 N ASP A 73 -3.029 -1.110 -5.001 1.00 0.00 N ATOM 1115 CA ASP A 73 -3.700 -0.895 -3.725 1.00 0.00 C ATOM 1116 C ASP A 73 -4.054 -2.230 -3.068 1.00 0.00 C ATOM 1117 O ASP A 73 -3.512 -3.273 -3.433 1.00 0.00 O ATOM 1118 CB ASP A 73 -4.960 -0.047 -3.930 1.00 0.00 C ATOM 1119 CG ASP A 73 -6.023 -0.768 -4.737 1.00 0.00 C ATOM 1120 OD1 ASP A 73 -6.609 -1.739 -4.213 1.00 0.00 O ATOM 1121 OD2 ASP A 73 -6.269 -0.361 -5.892 1.00 0.00 O ATOM 0 H ASP A 73 -3.178 -2.035 -5.404 1.00 0.00 H new ATOM 0 HA ASP A 73 -3.021 -0.360 -3.061 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -5.371 0.228 -2.958 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -4.691 0.880 -4.436 1.00 0.00 H new ATOM 1126 N TYR A 74 -4.963 -2.191 -2.097 1.00 0.00 N ATOM 1127 CA TYR A 74 -5.385 -3.395 -1.388 1.00 0.00 C ATOM 1128 C TYR A 74 -5.848 -4.481 -2.359 1.00 0.00 C ATOM 1129 O TYR A 74 -5.373 -5.615 -2.309 1.00 0.00 O ATOM 1130 CB TYR A 74 -6.512 -3.059 -0.407 1.00 0.00 C ATOM 1131 CG TYR A 74 -7.068 -4.261 0.323 1.00 0.00 C ATOM 1132 CD1 TYR A 74 -7.945 -5.136 -0.307 1.00 0.00 C ATOM 1133 CD2 TYR A 74 -6.717 -4.521 1.641 1.00 0.00 C ATOM 1134 CE1 TYR A 74 -8.457 -6.234 0.357 1.00 0.00 C ATOM 1135 CE2 TYR A 74 -7.224 -5.618 2.312 1.00 0.00 C ATOM 1136 CZ TYR A 74 -8.093 -6.471 1.665 1.00 0.00 C ATOM 1137 OH TYR A 74 -8.600 -7.564 2.330 1.00 0.00 O ATOM 0 H TYR A 74 -5.422 -1.336 -1.783 1.00 0.00 H new ATOM 0 HA TYR A 74 -4.526 -3.778 -0.837 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -6.141 -2.341 0.325 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -7.320 -2.571 -0.951 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -8.231 -4.955 -1.333 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -6.036 -3.855 2.150 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -9.139 -6.903 -0.146 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -6.941 -5.806 3.337 1.00 0.00 H new ATOM 0 HH TYR A 74 -8.777 -8.284 1.689 1.00 0.00 H new ATOM 1147 N GLU A 75 -6.782 -4.126 -3.236 1.00 0.00 N ATOM 1148 CA GLU A 75 -7.318 -5.062 -4.212 1.00 0.00 C ATOM 1149 C GLU A 75 -6.209 -5.740 -5.013 1.00 0.00 C ATOM 1150 O GLU A 75 -6.067 -6.962 -4.983 1.00 0.00 O ATOM 1151 CB GLU A 75 -8.267 -4.322 -5.151 1.00 0.00 C ATOM 1152 CG GLU A 75 -9.536 -5.091 -5.461 1.00 0.00 C ATOM 1153 CD GLU A 75 -9.624 -5.516 -6.914 1.00 0.00 C ATOM 1154 OE1 GLU A 75 -9.607 -4.630 -7.794 1.00 0.00 O ATOM 1155 OE2 GLU A 75 -9.710 -6.735 -7.172 1.00 0.00 O ATOM 0 H GLU A 75 -7.184 -3.190 -3.289 1.00 0.00 H new ATOM 0 HA GLU A 75 -7.858 -5.843 -3.677 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -8.533 -3.364 -4.704 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -7.746 -4.105 -6.084 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -9.585 -5.975 -4.825 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -10.399 -4.473 -5.215 1.00 0.00 H new ATOM 1162 N LEU A 76 -5.429 -4.939 -5.733 1.00 0.00 N ATOM 1163 CA LEU A 76 -4.335 -5.462 -6.549 1.00 0.00 C ATOM 1164 C LEU A 76 -3.396 -6.333 -5.720 1.00 0.00 C ATOM 1165 O LEU A 76 -3.191 -7.508 -6.026 1.00 0.00 O ATOM 1166 CB LEU A 76 -3.550 -4.313 -7.183 1.00 0.00 C ATOM 1167 CG LEU A 76 -4.369 -3.387 -8.085 1.00 0.00 C ATOM 1168 CD1 LEU A 76 -4.732 -2.106 -7.349 1.00 0.00 C ATOM 1169 CD2 LEU A 76 -3.602 -3.071 -9.361 1.00 0.00 C ATOM 0 H LEU A 76 -5.533 -3.925 -5.769 1.00 0.00 H new ATOM 0 HA LEU A 76 -4.770 -6.078 -7.336 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -3.102 -3.717 -6.388 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -2.731 -4.732 -7.767 1.00 0.00 H new ATOM 0 HG LEU A 76 -5.292 -3.900 -8.356 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -5.314 -1.461 -8.007 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -5.321 -2.349 -6.465 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -3.821 -1.589 -7.047 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -4.199 -2.411 -9.991 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -2.663 -2.579 -9.109 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -3.394 -3.996 -9.899 1.00 0.00 H new ATOM 1181 N PHE A 77 -2.826 -5.747 -4.672 1.00 0.00 N ATOM 1182 CA PHE A 77 -1.904 -6.464 -3.795 1.00 0.00 C ATOM 1183 C PHE A 77 -2.467 -7.832 -3.408 1.00 0.00 C ATOM 1184 O PHE A 77 -1.795 -8.854 -3.554 1.00 0.00 O ATOM 1185 CB PHE A 77 -1.618 -5.630 -2.542 1.00 0.00 C ATOM 1186 CG PHE A 77 -0.890 -6.381 -1.460 1.00 0.00 C ATOM 1187 CD1 PHE A 77 -1.579 -7.217 -0.596 1.00 0.00 C ATOM 1188 CD2 PHE A 77 0.481 -6.250 -1.309 1.00 0.00 C ATOM 1189 CE1 PHE A 77 -0.914 -7.909 0.399 1.00 0.00 C ATOM 1190 CE2 PHE A 77 1.152 -6.939 -0.316 1.00 0.00 C ATOM 1191 CZ PHE A 77 0.453 -7.769 0.539 1.00 0.00 C ATOM 0 H PHE A 77 -2.986 -4.775 -4.408 1.00 0.00 H new ATOM 0 HA PHE A 77 -0.971 -6.625 -4.335 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -1.028 -4.758 -2.825 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -2.562 -5.260 -2.141 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -2.648 -7.329 -0.701 1.00 0.00 H new ATOM 0 HD2 PHE A 77 1.032 -5.602 -1.975 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -1.462 -8.558 1.066 1.00 0.00 H new ATOM 0 HE2 PHE A 77 2.221 -6.829 -0.209 1.00 0.00 H new ATOM 0 HZ PHE A 77 0.975 -8.308 1.316 1.00 0.00 H new ATOM 1201 N VAL A 78 -3.703 -7.843 -2.920 1.00 0.00 N ATOM 1202 CA VAL A 78 -4.352 -9.085 -2.520 1.00 0.00 C ATOM 1203 C VAL A 78 -4.566 -9.999 -3.721 1.00 0.00 C ATOM 1204 O VAL A 78 -4.526 -11.223 -3.598 1.00 0.00 O ATOM 1205 CB VAL A 78 -5.709 -8.819 -1.839 1.00 0.00 C ATOM 1206 CG1 VAL A 78 -6.319 -10.117 -1.332 1.00 0.00 C ATOM 1207 CG2 VAL A 78 -5.548 -7.820 -0.703 1.00 0.00 C ATOM 0 H VAL A 78 -4.274 -7.007 -2.792 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.690 -9.574 -1.806 1.00 0.00 H new ATOM 0 HB VAL A 78 -6.387 -8.391 -2.578 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -7.276 -9.907 -0.855 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -6.472 -10.798 -2.169 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.646 -10.577 -0.608 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -6.516 -7.644 -0.233 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.853 -8.219 0.036 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -5.160 -6.881 -1.097 1.00 0.00 H new ATOM 1217 N GLU A 79 -4.791 -9.396 -4.885 1.00 0.00 N ATOM 1218 CA GLU A 79 -5.009 -10.157 -6.110 1.00 0.00 C ATOM 1219 C GLU A 79 -3.698 -10.739 -6.642 1.00 0.00 C ATOM 1220 O GLU A 79 -3.698 -11.516 -7.596 1.00 0.00 O ATOM 1221 CB GLU A 79 -5.653 -9.274 -7.179 1.00 0.00 C ATOM 1222 CG GLU A 79 -6.100 -10.043 -8.412 1.00 0.00 C ATOM 1223 CD GLU A 79 -5.660 -9.382 -9.704 1.00 0.00 C ATOM 1224 OE1 GLU A 79 -4.604 -8.716 -9.700 1.00 0.00 O ATOM 1225 OE2 GLU A 79 -6.372 -9.531 -10.719 1.00 0.00 O ATOM 0 H GLU A 79 -4.827 -8.384 -5.005 1.00 0.00 H new ATOM 0 HA GLU A 79 -5.681 -10.982 -5.872 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -6.514 -8.763 -6.747 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -4.943 -8.503 -7.479 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -5.697 -11.055 -8.370 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -7.186 -10.132 -8.406 1.00 0.00 H new ATOM 1232 N ALA A 80 -2.582 -10.356 -6.029 1.00 0.00 N ATOM 1233 CA ALA A 80 -1.276 -10.842 -6.456 1.00 0.00 C ATOM 1234 C ALA A 80 -0.840 -12.062 -5.648 1.00 0.00 C ATOM 1235 O ALA A 80 -0.511 -13.104 -6.213 1.00 0.00 O ATOM 1236 CB ALA A 80 -0.243 -9.731 -6.341 1.00 0.00 C ATOM 0 H ALA A 80 -2.556 -9.713 -5.238 1.00 0.00 H new ATOM 0 HA ALA A 80 -1.356 -11.149 -7.499 1.00 0.00 H new ATOM 0 HB1 ALA A 80 0.730 -10.104 -6.662 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -0.538 -8.893 -6.973 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -0.180 -9.399 -5.305 1.00 0.00 H new ATOM 1242 N VAL A 81 -0.839 -11.928 -4.324 1.00 0.00 N ATOM 1243 CA VAL A 81 -0.439 -13.025 -3.443 1.00 0.00 C ATOM 1244 C VAL A 81 -1.225 -14.297 -3.753 1.00 0.00 C ATOM 1245 O VAL A 81 -0.730 -15.410 -3.571 1.00 0.00 O ATOM 1246 CB VAL A 81 -0.652 -12.668 -1.957 1.00 0.00 C ATOM 1247 CG1 VAL A 81 0.029 -13.691 -1.061 1.00 0.00 C ATOM 1248 CG2 VAL A 81 -0.148 -11.262 -1.654 1.00 0.00 C ATOM 0 H VAL A 81 -1.110 -11.073 -3.837 1.00 0.00 H new ATOM 0 HA VAL A 81 0.622 -13.195 -3.624 1.00 0.00 H new ATOM 0 HB VAL A 81 -1.722 -12.690 -1.753 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -0.131 -13.424 -0.016 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -0.391 -14.679 -1.252 1.00 0.00 H new ATOM 0 HG13 VAL A 81 1.098 -13.705 -1.272 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -0.310 -11.037 -0.600 1.00 0.00 H new ATOM 0 HG22 VAL A 81 0.917 -11.201 -1.878 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -0.690 -10.541 -2.267 1.00 0.00 H new ATOM 1258 N GLU A 82 -2.456 -14.116 -4.209 1.00 0.00 N ATOM 1259 CA GLU A 82 -3.340 -15.233 -4.537 1.00 0.00 C ATOM 1260 C GLU A 82 -2.747 -16.143 -5.612 1.00 0.00 C ATOM 1261 O GLU A 82 -2.754 -17.366 -5.471 1.00 0.00 O ATOM 1262 CB GLU A 82 -4.692 -14.702 -5.010 1.00 0.00 C ATOM 1263 CG GLU A 82 -4.580 -13.497 -5.930 1.00 0.00 C ATOM 1264 CD GLU A 82 -5.327 -13.685 -7.236 1.00 0.00 C ATOM 1265 OE1 GLU A 82 -4.910 -14.544 -8.040 1.00 0.00 O ATOM 1266 OE2 GLU A 82 -6.331 -12.974 -7.453 1.00 0.00 O ATOM 0 H GLU A 82 -2.872 -13.197 -4.363 1.00 0.00 H new ATOM 0 HA GLU A 82 -3.464 -15.826 -3.631 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -5.225 -15.498 -5.530 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -5.292 -14.432 -4.141 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -4.969 -12.617 -5.418 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -3.528 -13.304 -6.142 1.00 0.00 H new ATOM 1273 N GLN A 83 -2.244 -15.546 -6.687 1.00 0.00 N ATOM 1274 CA GLN A 83 -1.661 -16.313 -7.783 1.00 0.00 C ATOM 1275 C GLN A 83 -0.141 -16.326 -7.692 1.00 0.00 C ATOM 1276 O GLN A 83 0.544 -16.769 -8.614 1.00 0.00 O ATOM 1277 CB GLN A 83 -2.096 -15.724 -9.127 1.00 0.00 C ATOM 1278 CG GLN A 83 -2.485 -16.775 -10.154 1.00 0.00 C ATOM 1279 CD GLN A 83 -3.333 -16.208 -11.276 1.00 0.00 C ATOM 1280 OE1 GLN A 83 -4.334 -16.803 -11.675 1.00 0.00 O ATOM 1281 NE2 GLN A 83 -2.934 -15.052 -11.792 1.00 0.00 N ATOM 0 H GLN A 83 -2.228 -14.535 -6.823 1.00 0.00 H new ATOM 0 HA GLN A 83 -2.019 -17.340 -7.706 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -2.942 -15.056 -8.965 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -1.284 -15.118 -9.529 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -1.582 -17.219 -10.574 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -3.033 -17.576 -9.659 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -2.098 -14.594 -11.430 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -3.464 -14.622 -12.550 1.00 0.00 H new ATOM 1290 N ASN A 84 0.381 -15.825 -6.579 1.00 0.00 N ATOM 1291 CA ASN A 84 1.814 -15.760 -6.361 1.00 0.00 C ATOM 1292 C ASN A 84 2.422 -14.634 -7.185 1.00 0.00 C ATOM 1293 O ASN A 84 3.627 -14.610 -7.435 1.00 0.00 O ATOM 1294 CB ASN A 84 2.484 -17.095 -6.702 1.00 0.00 C ATOM 1295 CG ASN A 84 3.337 -17.621 -5.565 1.00 0.00 C ATOM 1296 OD1 ASN A 84 4.403 -17.080 -5.271 1.00 0.00 O ATOM 1297 ND2 ASN A 84 2.871 -18.683 -4.918 1.00 0.00 N ATOM 0 H ASN A 84 -0.176 -15.455 -5.809 1.00 0.00 H new ATOM 0 HA ASN A 84 1.988 -15.556 -5.305 1.00 0.00 H new ATOM 0 HB2 ASN A 84 1.718 -17.830 -6.948 1.00 0.00 H new ATOM 0 HB3 ASN A 84 3.104 -16.971 -7.590 1.00 0.00 H new ATOM 0 HD21 ASN A 84 3.402 -19.082 -4.144 1.00 0.00 H new ATOM 0 HD22 ASN A 84 1.982 -19.100 -5.195 1.00 0.00 H new ATOM 1304 N THR A 85 1.575 -13.696 -7.596 1.00 0.00 N ATOM 1305 CA THR A 85 2.020 -12.559 -8.382 1.00 0.00 C ATOM 1306 C THR A 85 2.574 -11.466 -7.474 1.00 0.00 C ATOM 1307 O THR A 85 3.299 -10.581 -7.930 1.00 0.00 O ATOM 1308 CB THR A 85 0.869 -12.010 -9.231 1.00 0.00 C ATOM 1309 OG1 THR A 85 -0.362 -12.599 -8.853 1.00 0.00 O ATOM 1310 CG2 THR A 85 1.055 -12.248 -10.714 1.00 0.00 C ATOM 0 H THR A 85 0.575 -13.704 -7.395 1.00 0.00 H new ATOM 0 HA THR A 85 2.815 -12.893 -9.049 1.00 0.00 H new ATOM 0 HB THR A 85 0.863 -10.936 -9.048 1.00 0.00 H new ATOM 0 HG1 THR A 85 -1.083 -12.233 -9.406 1.00 0.00 H new ATOM 0 HG21 THR A 85 0.205 -11.835 -11.258 1.00 0.00 H new ATOM 0 HG22 THR A 85 1.971 -11.761 -11.048 1.00 0.00 H new ATOM 0 HG23 THR A 85 1.122 -13.319 -10.905 1.00 0.00 H new ATOM 1318 N LEU A 86 2.222 -11.537 -6.186 1.00 0.00 N ATOM 1319 CA LEU A 86 2.672 -10.563 -5.192 1.00 0.00 C ATOM 1320 C LEU A 86 4.063 -10.014 -5.511 1.00 0.00 C ATOM 1321 O LEU A 86 4.296 -8.810 -5.421 1.00 0.00 O ATOM 1322 CB LEU A 86 2.677 -11.204 -3.805 1.00 0.00 C ATOM 1323 CG LEU A 86 3.188 -10.305 -2.682 1.00 0.00 C ATOM 1324 CD1 LEU A 86 2.412 -8.997 -2.651 1.00 0.00 C ATOM 1325 CD2 LEU A 86 3.099 -11.019 -1.341 1.00 0.00 C ATOM 0 H LEU A 86 1.620 -12.268 -5.807 1.00 0.00 H new ATOM 0 HA LEU A 86 1.974 -9.726 -5.214 1.00 0.00 H new ATOM 0 HB2 LEU A 86 1.662 -11.521 -3.564 1.00 0.00 H new ATOM 0 HB3 LEU A 86 3.292 -12.103 -3.839 1.00 0.00 H new ATOM 0 HG LEU A 86 4.236 -10.075 -2.874 1.00 0.00 H new ATOM 0 HD11 LEU A 86 2.790 -8.369 -1.844 1.00 0.00 H new ATOM 0 HD12 LEU A 86 2.534 -8.479 -3.602 1.00 0.00 H new ATOM 0 HD13 LEU A 86 1.355 -9.205 -2.484 1.00 0.00 H new ATOM 0 HD21 LEU A 86 3.468 -10.362 -0.554 1.00 0.00 H new ATOM 0 HD22 LEU A 86 2.061 -11.282 -1.137 1.00 0.00 H new ATOM 0 HD23 LEU A 86 3.704 -11.925 -1.370 1.00 0.00 H new ATOM 1337 N GLN A 87 4.983 -10.899 -5.887 1.00 0.00 N ATOM 1338 CA GLN A 87 6.341 -10.483 -6.220 1.00 0.00 C ATOM 1339 C GLN A 87 6.325 -9.449 -7.338 1.00 0.00 C ATOM 1340 O GLN A 87 6.753 -8.312 -7.151 1.00 0.00 O ATOM 1341 CB GLN A 87 7.192 -11.684 -6.643 1.00 0.00 C ATOM 1342 CG GLN A 87 8.413 -11.300 -7.469 1.00 0.00 C ATOM 1343 CD GLN A 87 9.398 -12.442 -7.626 1.00 0.00 C ATOM 1344 OE1 GLN A 87 9.107 -13.442 -8.282 1.00 0.00 O ATOM 1345 NE2 GLN A 87 10.572 -12.298 -7.022 1.00 0.00 N ATOM 0 H GLN A 87 4.814 -11.902 -5.968 1.00 0.00 H new ATOM 0 HA GLN A 87 6.781 -10.038 -5.328 1.00 0.00 H new ATOM 0 HB2 GLN A 87 7.519 -12.220 -5.752 1.00 0.00 H new ATOM 0 HB3 GLN A 87 6.574 -12.372 -7.220 1.00 0.00 H new ATOM 0 HG2 GLN A 87 8.089 -10.967 -8.455 1.00 0.00 H new ATOM 0 HG3 GLN A 87 8.915 -10.456 -6.997 1.00 0.00 H new ATOM 0 HE21 GLN A 87 10.771 -11.452 -6.488 1.00 0.00 H new ATOM 0 HE22 GLN A 87 11.275 -13.034 -7.092 1.00 0.00 H new ATOM 1354 N GLU A 88 5.824 -9.857 -8.502 1.00 0.00 N ATOM 1355 CA GLU A 88 5.746 -8.974 -9.663 1.00 0.00 C ATOM 1356 C GLU A 88 5.227 -7.591 -9.278 1.00 0.00 C ATOM 1357 O GLU A 88 5.494 -6.607 -9.966 1.00 0.00 O ATOM 1358 CB GLU A 88 4.844 -9.589 -10.735 1.00 0.00 C ATOM 1359 CG GLU A 88 5.584 -10.491 -11.708 1.00 0.00 C ATOM 1360 CD GLU A 88 4.679 -11.053 -12.787 1.00 0.00 C ATOM 1361 OE1 GLU A 88 3.895 -10.274 -13.369 1.00 0.00 O ATOM 1362 OE2 GLU A 88 4.753 -12.272 -13.049 1.00 0.00 O ATOM 0 H GLU A 88 5.465 -10.797 -8.666 1.00 0.00 H new ATOM 0 HA GLU A 88 6.754 -8.858 -10.062 1.00 0.00 H new ATOM 0 HB2 GLU A 88 4.055 -10.163 -10.249 1.00 0.00 H new ATOM 0 HB3 GLU A 88 4.358 -8.788 -11.292 1.00 0.00 H new ATOM 0 HG2 GLU A 88 6.393 -9.929 -12.174 1.00 0.00 H new ATOM 0 HG3 GLU A 88 6.042 -11.313 -11.159 1.00 0.00 H new ATOM 1369 N PHE A 89 4.482 -7.523 -8.180 1.00 0.00 N ATOM 1370 CA PHE A 89 3.931 -6.261 -7.713 1.00 0.00 C ATOM 1371 C PHE A 89 4.764 -5.677 -6.575 1.00 0.00 C ATOM 1372 O PHE A 89 4.793 -4.462 -6.377 1.00 0.00 O ATOM 1373 CB PHE A 89 2.484 -6.461 -7.258 1.00 0.00 C ATOM 1374 CG PHE A 89 1.796 -5.194 -6.838 1.00 0.00 C ATOM 1375 CD1 PHE A 89 2.149 -4.555 -5.661 1.00 0.00 C ATOM 1376 CD2 PHE A 89 0.794 -4.646 -7.621 1.00 0.00 C ATOM 1377 CE1 PHE A 89 1.514 -3.392 -5.271 1.00 0.00 C ATOM 1378 CE2 PHE A 89 0.156 -3.483 -7.237 1.00 0.00 C ATOM 1379 CZ PHE A 89 0.516 -2.855 -6.060 1.00 0.00 C ATOM 0 H PHE A 89 4.247 -8.328 -7.599 1.00 0.00 H new ATOM 0 HA PHE A 89 3.955 -5.554 -8.542 1.00 0.00 H new ATOM 0 HB2 PHE A 89 1.918 -6.918 -8.070 1.00 0.00 H new ATOM 0 HB3 PHE A 89 2.470 -7.164 -6.425 1.00 0.00 H new ATOM 0 HD1 PHE A 89 2.930 -4.971 -5.041 1.00 0.00 H new ATOM 0 HD2 PHE A 89 0.508 -5.133 -8.542 1.00 0.00 H new ATOM 0 HE1 PHE A 89 1.798 -2.903 -4.351 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -0.624 -3.065 -7.856 1.00 0.00 H new ATOM 0 HZ PHE A 89 0.018 -1.946 -5.758 1.00 0.00 H new ATOM 1389 N LEU A 90 5.435 -6.545 -5.827 1.00 0.00 N ATOM 1390 CA LEU A 90 6.261 -6.107 -4.708 1.00 0.00 C ATOM 1391 C LEU A 90 7.728 -5.998 -5.115 1.00 0.00 C ATOM 1392 O LEU A 90 8.275 -4.899 -5.213 1.00 0.00 O ATOM 1393 CB LEU A 90 6.116 -7.075 -3.531 1.00 0.00 C ATOM 1394 CG LEU A 90 5.054 -6.687 -2.501 1.00 0.00 C ATOM 1395 CD1 LEU A 90 5.044 -7.676 -1.347 1.00 0.00 C ATOM 1396 CD2 LEU A 90 5.297 -5.274 -1.993 1.00 0.00 C ATOM 0 H LEU A 90 5.424 -7.554 -5.974 1.00 0.00 H new ATOM 0 HA LEU A 90 5.917 -5.119 -4.404 1.00 0.00 H new ATOM 0 HB2 LEU A 90 5.877 -8.064 -3.921 1.00 0.00 H new ATOM 0 HB3 LEU A 90 7.078 -7.155 -3.026 1.00 0.00 H new ATOM 0 HG LEU A 90 4.078 -6.715 -2.985 1.00 0.00 H new ATOM 0 HD11 LEU A 90 4.282 -7.384 -0.624 1.00 0.00 H new ATOM 0 HD12 LEU A 90 4.822 -8.674 -1.725 1.00 0.00 H new ATOM 0 HD13 LEU A 90 6.021 -7.680 -0.863 1.00 0.00 H new ATOM 0 HD21 LEU A 90 4.532 -5.014 -1.261 1.00 0.00 H new ATOM 0 HD22 LEU A 90 6.280 -5.219 -1.526 1.00 0.00 H new ATOM 0 HD23 LEU A 90 5.253 -4.575 -2.828 1.00 0.00 H new ATOM 1408 N LYS A 91 8.361 -7.143 -5.343 1.00 0.00 N ATOM 1409 CA LYS A 91 9.767 -7.175 -5.731 1.00 0.00 C ATOM 1410 C LYS A 91 9.938 -6.973 -7.234 1.00 0.00 C ATOM 1411 O LYS A 91 11.023 -6.624 -7.696 1.00 0.00 O ATOM 1412 CB LYS A 91 10.406 -8.500 -5.309 1.00 0.00 C ATOM 1413 CG LYS A 91 10.065 -8.918 -3.888 1.00 0.00 C ATOM 1414 CD LYS A 91 11.193 -8.587 -2.923 1.00 0.00 C ATOM 1415 CE LYS A 91 10.713 -8.593 -1.481 1.00 0.00 C ATOM 1416 NZ LYS A 91 10.323 -7.232 -1.019 1.00 0.00 N ATOM 0 H LYS A 91 7.924 -8.061 -5.266 1.00 0.00 H new ATOM 0 HA LYS A 91 10.268 -6.353 -5.219 1.00 0.00 H new ATOM 0 HB2 LYS A 91 10.084 -9.283 -5.996 1.00 0.00 H new ATOM 0 HB3 LYS A 91 11.489 -8.418 -5.404 1.00 0.00 H new ATOM 0 HG2 LYS A 91 9.152 -8.415 -3.569 1.00 0.00 H new ATOM 0 HG3 LYS A 91 9.864 -9.989 -3.861 1.00 0.00 H new ATOM 0 HD2 LYS A 91 11.999 -9.311 -3.042 1.00 0.00 H new ATOM 0 HD3 LYS A 91 11.605 -7.608 -3.166 1.00 0.00 H new ATOM 0 HE2 LYS A 91 9.862 -9.267 -1.385 1.00 0.00 H new ATOM 0 HE3 LYS A 91 11.502 -8.982 -0.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 10.083 -7.264 -0.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 11.116 -6.575 -1.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 9.498 -6.905 -1.561 1.00 0.00 H new ATOM 1430 N LEU A 92 8.864 -7.185 -7.993 1.00 0.00 N ATOM 1431 CA LEU A 92 8.906 -7.018 -9.441 1.00 0.00 C ATOM 1432 C LEU A 92 9.952 -7.929 -10.076 1.00 0.00 C ATOM 1433 O LEU A 92 9.625 -8.987 -10.613 1.00 0.00 O ATOM 1434 CB LEU A 92 9.190 -5.556 -9.791 1.00 0.00 C ATOM 1435 CG LEU A 92 8.002 -4.604 -9.620 1.00 0.00 C ATOM 1436 CD1 LEU A 92 7.115 -4.637 -10.855 1.00 0.00 C ATOM 1437 CD2 LEU A 92 7.198 -4.958 -8.373 1.00 0.00 C ATOM 0 H LEU A 92 7.956 -7.472 -7.628 1.00 0.00 H new ATOM 0 HA LEU A 92 7.933 -7.300 -9.843 1.00 0.00 H new ATOM 0 HB2 LEU A 92 10.012 -5.202 -9.168 1.00 0.00 H new ATOM 0 HB3 LEU A 92 9.530 -5.506 -10.825 1.00 0.00 H new ATOM 0 HG LEU A 92 8.389 -3.592 -9.497 1.00 0.00 H new ATOM 0 HD11 LEU A 92 6.275 -3.956 -10.718 1.00 0.00 H new ATOM 0 HD12 LEU A 92 7.693 -4.330 -11.727 1.00 0.00 H new ATOM 0 HD13 LEU A 92 6.740 -5.649 -11.007 1.00 0.00 H new ATOM 0 HD21 LEU A 92 6.360 -4.268 -8.273 1.00 0.00 H new ATOM 0 HD22 LEU A 92 6.821 -5.977 -8.460 1.00 0.00 H new ATOM 0 HD23 LEU A 92 7.838 -4.882 -7.494 1.00 0.00 H new ATOM 1449 N ALA A 93 11.209 -7.510 -10.012 1.00 0.00 N ATOM 1450 CA ALA A 93 12.305 -8.286 -10.580 1.00 0.00 C ATOM 1451 C ALA A 93 13.654 -7.783 -10.077 1.00 0.00 C ATOM 1452 O ALA A 93 14.441 -8.544 -9.515 1.00 0.00 O ATOM 1453 CB ALA A 93 12.254 -8.234 -12.100 1.00 0.00 C ATOM 0 H ALA A 93 11.496 -6.636 -9.572 1.00 0.00 H new ATOM 0 HA ALA A 93 12.190 -9.321 -10.257 1.00 0.00 H new ATOM 0 HB1 ALA A 93 13.078 -8.817 -12.512 1.00 0.00 H new ATOM 0 HB2 ALA A 93 11.307 -8.648 -12.447 1.00 0.00 H new ATOM 0 HB3 ALA A 93 12.341 -7.199 -12.432 1.00 0.00 H new ATOM 1459 N LEU A 94 13.914 -6.496 -10.282 1.00 0.00 N ATOM 1460 CA LEU A 94 15.168 -5.891 -9.850 1.00 0.00 C ATOM 1461 C LEU A 94 16.360 -6.581 -10.505 1.00 0.00 C ATOM 1462 O LEU A 94 16.816 -7.627 -10.042 1.00 0.00 O ATOM 1463 CB LEU A 94 15.295 -5.962 -8.326 1.00 0.00 C ATOM 1464 CG LEU A 94 15.972 -4.755 -7.676 1.00 0.00 C ATOM 1465 CD1 LEU A 94 14.947 -3.679 -7.351 1.00 0.00 C ATOM 1466 CD2 LEU A 94 16.721 -5.177 -6.420 1.00 0.00 C ATOM 0 H LEU A 94 13.273 -5.852 -10.745 1.00 0.00 H new ATOM 0 HA LEU A 94 15.163 -4.846 -10.158 1.00 0.00 H new ATOM 0 HB2 LEU A 94 14.299 -6.074 -7.899 1.00 0.00 H new ATOM 0 HB3 LEU A 94 15.857 -6.859 -8.065 1.00 0.00 H new ATOM 0 HG LEU A 94 16.691 -4.341 -8.383 1.00 0.00 H new ATOM 0 HD11 LEU A 94 15.447 -2.828 -6.889 1.00 0.00 H new ATOM 0 HD12 LEU A 94 14.455 -3.357 -8.268 1.00 0.00 H new ATOM 0 HD13 LEU A 94 14.204 -4.081 -6.662 1.00 0.00 H new ATOM 0 HD21 LEU A 94 17.197 -4.306 -5.970 1.00 0.00 H new ATOM 0 HD22 LEU A 94 16.021 -5.616 -5.709 1.00 0.00 H new ATOM 0 HD23 LEU A 94 17.482 -5.912 -6.680 1.00 0.00 H new ATOM 1478 N GLU A 95 16.859 -5.990 -11.585 1.00 0.00 N ATOM 1479 CA GLU A 95 17.998 -6.549 -12.305 1.00 0.00 C ATOM 1480 C GLU A 95 18.951 -5.446 -12.754 1.00 0.00 C ATOM 1481 O GLU A 95 18.703 -4.272 -12.406 1.00 0.00 O ATOM 1482 CB GLU A 95 17.518 -7.352 -13.516 1.00 0.00 C ATOM 1483 CG GLU A 95 17.416 -8.845 -13.254 1.00 0.00 C ATOM 1484 CD GLU A 95 18.747 -9.556 -13.407 1.00 0.00 C ATOM 1485 OE1 GLU A 95 19.734 -9.107 -12.788 1.00 0.00 O ATOM 1486 OE2 GLU A 95 18.801 -10.562 -14.145 1.00 0.00 O ATOM 0 H GLU A 95 16.493 -5.124 -11.981 1.00 0.00 H new ATOM 0 HA GLU A 95 18.535 -7.214 -11.628 1.00 0.00 H new ATOM 0 HB2 GLU A 95 16.542 -6.978 -13.825 1.00 0.00 H new ATOM 0 HB3 GLU A 95 18.202 -7.183 -14.348 1.00 0.00 H new ATOM 0 HG2 GLU A 95 17.035 -9.008 -12.246 1.00 0.00 H new ATOM 0 HG3 GLU A 95 16.693 -9.283 -13.943 1.00 0.00 H new TER 1493 GLU A 95