USER MOD reduce.3.24.130724 H: found=0, std=0, add=876, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 249 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 53 TYR OH : rot 157:sc= 0.00132 USER MOD Set 1.2: A 69 ASN : amide:sc= 0.233 K(o=0.23,f=-6.6!) USER MOD Set 2.1: A 59 ASN : amide:sc= 0.322 K(o=-2,f=-6.2) USER MOD Set 2.2: A 64 GLN : amide:sc= -2.3! C(o=-2!,f=-5!) USER MOD Set 3.1: A 10 SER OG : rot -97:sc= 0.866 USER MOD Set 3.2: A 51 SER OG : rot -122:sc= 0.73 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 MET CE :methyl 162:sc= -0.017 (180deg=-0.297) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 SER OG : rot -47:sc= 1.11 USER MOD Single : A 21 LYS NZ :NH3+ -121:sc= -0.0137 (180deg=-0.0801) USER MOD Single : A 22 TYR OH : rot 150:sc= -0.0831 USER MOD Single : A 23 TYR OH : rot -119:sc= -3.64! USER MOD Single : A 25 ASN : amide:sc= -0.0137 K(o=-0.014,f=-1.3) USER MOD Single : A 32 HIS : no HE2:sc= 0.673 K(o=0.67,f=-2.1!) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 SER OG : rot 16:sc= 0.237 USER MOD Single : A 42 LYS NZ :NH3+ -120:sc=-0.00138 (180deg=-1.71!) USER MOD Single : A 46 SER OG : rot 180:sc= 0.369 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 TYR OH : rot 180:sc= -0.267 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 HIS : no HD1:sc= -0.157 K(o=-0.16,f=-2.5!) USER MOD Single : A 63 LYS NZ :NH3+ 158:sc= -0.194 (180deg=-0.414) USER MOD Single : A 66 THR OG1 : rot -146:sc= 0.297 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= -1.01 K(o=-1,f=0) USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 83 ASN : amide:sc= -0.258 K(o=-0.26,f=-2.5!) USER MOD Single : A 85 ASN : amide:sc= -0.481 K(o=-0.48,f=-1.9) USER MOD Single : A 86 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.145) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 93 ASN : amide:sc= -2.17! C(o=-2.2!,f=-4!) USER MOD Single : A 94 THR OG1 : rot 180:sc= -0.593 USER MOD Single : A 99 THR OG1 : rot -170:sc= -0.334 USER MOD Single : A 100 SER OG : rot 49:sc= 0.0794 USER MOD Single : A 103 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 104 THR OG1 : rot 49:sc= 0.0377 USER MOD Single : A 107 LYS NZ :NH3+ -132:sc= 0.735 (180deg=-0.0828) USER MOD Single : A 108 HIS : no HD1:sc= -1.94 K(o=-1.9,f=-0.78) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.610 -10.398 -9.348 1.00 0.00 N ATOM 2 CA GLY A 1 -5.220 -10.792 -9.691 1.00 0.00 C ATOM 3 C GLY A 1 -4.463 -11.802 -8.798 1.00 0.00 C ATOM 4 O GLY A 1 -3.678 -12.607 -9.292 1.00 0.00 O ATOM 0 H1 GLY A 1 -6.961 -9.717 -10.051 1.00 0.00 H new ATOM 0 H2 GLY A 1 -7.220 -11.241 -9.348 1.00 0.00 H new ATOM 0 H3 GLY A 1 -6.624 -9.960 -8.405 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -5.238 -11.202 -10.701 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -4.624 -9.880 -9.728 1.00 0.00 H new ATOM 8 N SER A 2 -4.810 -11.805 -7.508 1.00 0.00 N ATOM 9 CA SER A 2 -4.141 -12.560 -6.420 1.00 0.00 C ATOM 10 C SER A 2 -2.702 -12.113 -6.132 1.00 0.00 C ATOM 11 O SER A 2 -1.715 -12.639 -6.651 1.00 0.00 O ATOM 12 CB SER A 2 -4.223 -14.084 -6.585 1.00 0.00 C ATOM 13 OG SER A 2 -5.558 -14.513 -6.307 1.00 0.00 O ATOM 0 H SER A 2 -5.601 -11.259 -7.167 1.00 0.00 H new ATOM 0 HA SER A 2 -4.727 -12.300 -5.538 1.00 0.00 H new ATOM 0 HB2 SER A 2 -3.940 -14.368 -7.598 1.00 0.00 H new ATOM 0 HB3 SER A 2 -3.522 -14.574 -5.909 1.00 0.00 H new ATOM 0 HG SER A 2 -5.618 -15.485 -6.412 1.00 0.00 H new ATOM 16 N MET A 3 -2.638 -11.222 -5.142 1.00 0.00 N ATOM 17 CA MET A 3 -1.436 -10.486 -4.682 1.00 0.00 C ATOM 18 C MET A 3 -0.879 -9.617 -5.822 1.00 0.00 C ATOM 19 O MET A 3 -1.291 -8.469 -5.957 1.00 0.00 O ATOM 20 CB MET A 3 -0.330 -11.362 -4.061 1.00 0.00 C ATOM 21 CG MET A 3 -0.790 -12.269 -2.915 1.00 0.00 C ATOM 22 SD MET A 3 -1.562 -13.836 -3.466 1.00 0.00 S ATOM 23 CE MET A 3 -0.142 -14.703 -4.102 1.00 0.00 C ATOM 0 H MET A 3 -3.466 -10.973 -4.601 1.00 0.00 H new ATOM 0 HA MET A 3 -1.776 -9.854 -3.862 1.00 0.00 H new ATOM 0 HB2 MET A 3 0.103 -11.983 -4.845 1.00 0.00 H new ATOM 0 HB3 MET A 3 0.464 -10.712 -3.694 1.00 0.00 H new ATOM 0 HG2 MET A 3 0.067 -12.501 -2.283 1.00 0.00 H new ATOM 0 HG3 MET A 3 -1.503 -11.723 -2.297 1.00 0.00 H new ATOM 0 HE1 MET A 3 -0.369 -15.766 -4.178 1.00 0.00 H new ATOM 0 HE2 MET A 3 0.110 -14.314 -5.089 1.00 0.00 H new ATOM 0 HE3 MET A 3 0.703 -14.559 -3.429 1.00 0.00 H new ATOM 25 N GLU A 4 -0.160 -10.270 -6.733 1.00 0.00 N ATOM 26 CA GLU A 4 0.375 -9.660 -7.966 1.00 0.00 C ATOM 27 C GLU A 4 -0.717 -9.630 -9.057 1.00 0.00 C ATOM 28 O GLU A 4 -1.876 -9.927 -8.774 1.00 0.00 O ATOM 29 CB GLU A 4 1.628 -10.431 -8.420 1.00 0.00 C ATOM 30 CG GLU A 4 1.391 -11.918 -8.722 1.00 0.00 C ATOM 31 CD GLU A 4 2.590 -12.519 -9.456 1.00 0.00 C ATOM 32 OE1 GLU A 4 2.588 -12.429 -10.705 1.00 0.00 O ATOM 33 OE2 GLU A 4 3.517 -12.979 -8.757 1.00 0.00 O ATOM 0 H GLU A 4 0.076 -11.258 -6.640 1.00 0.00 H new ATOM 0 HA GLU A 4 0.670 -8.628 -7.774 1.00 0.00 H new ATOM 0 HB2 GLU A 4 2.029 -9.952 -9.313 1.00 0.00 H new ATOM 0 HB3 GLU A 4 2.390 -10.348 -7.645 1.00 0.00 H new ATOM 0 HG2 GLU A 4 1.219 -12.460 -7.792 1.00 0.00 H new ATOM 0 HG3 GLU A 4 0.493 -12.032 -9.329 1.00 0.00 H new ATOM 35 N GLN A 5 -0.316 -9.286 -10.284 1.00 0.00 N ATOM 36 CA GLN A 5 -1.190 -9.241 -11.478 1.00 0.00 C ATOM 37 C GLN A 5 -2.409 -8.327 -11.267 1.00 0.00 C ATOM 38 O GLN A 5 -3.451 -8.725 -10.757 1.00 0.00 O ATOM 39 CB GLN A 5 -1.608 -10.655 -11.922 1.00 0.00 C ATOM 40 CG GLN A 5 -0.428 -11.480 -12.450 1.00 0.00 C ATOM 41 CD GLN A 5 -0.812 -12.942 -12.702 1.00 0.00 C ATOM 42 OE1 GLN A 5 -1.326 -13.657 -11.855 1.00 0.00 O ATOM 43 NE2 GLN A 5 -0.438 -13.466 -13.849 1.00 0.00 N ATOM 0 H GLN A 5 0.648 -9.023 -10.488 1.00 0.00 H new ATOM 0 HA GLN A 5 -0.605 -8.803 -12.287 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -2.063 -11.176 -11.080 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -2.369 -10.578 -12.699 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -0.063 -11.037 -13.376 1.00 0.00 H new ATOM 0 HG3 GLN A 5 0.392 -11.440 -11.732 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -0.008 -12.877 -14.563 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -0.578 -14.461 -14.025 1.00 0.00 H new ATOM 47 N PHE A 6 -2.174 -7.050 -11.561 1.00 0.00 N ATOM 48 CA PHE A 6 -3.142 -5.933 -11.473 1.00 0.00 C ATOM 49 C PHE A 6 -3.462 -5.578 -10.009 1.00 0.00 C ATOM 50 O PHE A 6 -4.558 -5.782 -9.481 1.00 0.00 O ATOM 51 CB PHE A 6 -4.411 -6.265 -12.277 1.00 0.00 C ATOM 52 CG PHE A 6 -4.935 -5.068 -13.064 1.00 0.00 C ATOM 53 CD1 PHE A 6 -5.844 -4.185 -12.493 1.00 0.00 C ATOM 54 CD2 PHE A 6 -4.582 -4.947 -14.400 1.00 0.00 C ATOM 55 CE1 PHE A 6 -6.408 -3.181 -13.272 1.00 0.00 C ATOM 56 CE2 PHE A 6 -5.139 -3.939 -15.176 1.00 0.00 C ATOM 57 CZ PHE A 6 -6.056 -3.059 -14.612 1.00 0.00 C ATOM 0 H PHE A 6 -1.258 -6.739 -11.885 1.00 0.00 H new ATOM 0 HA PHE A 6 -2.688 -5.046 -11.915 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -4.197 -7.083 -12.965 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -5.187 -6.616 -11.596 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -6.111 -4.278 -11.451 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -3.874 -5.636 -14.836 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -7.120 -2.495 -12.836 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -4.861 -3.839 -16.215 1.00 0.00 H new ATOM 0 HZ PHE A 6 -6.496 -2.279 -15.216 1.00 0.00 H new ATOM 64 N GLU A 7 -2.507 -4.864 -9.420 1.00 0.00 N ATOM 65 CA GLU A 7 -2.574 -4.450 -8.007 1.00 0.00 C ATOM 66 C GLU A 7 -3.159 -3.036 -7.913 1.00 0.00 C ATOM 67 O GLU A 7 -2.450 -2.042 -8.070 1.00 0.00 O ATOM 68 CB GLU A 7 -1.182 -4.499 -7.365 1.00 0.00 C ATOM 69 CG GLU A 7 -0.564 -5.901 -7.354 1.00 0.00 C ATOM 70 CD GLU A 7 0.787 -5.950 -6.631 1.00 0.00 C ATOM 71 OE1 GLU A 7 1.651 -5.106 -6.964 1.00 0.00 O ATOM 72 OE2 GLU A 7 0.948 -6.827 -5.757 1.00 0.00 O ATOM 0 H GLU A 7 -1.663 -4.553 -9.901 1.00 0.00 H new ATOM 0 HA GLU A 7 -3.221 -5.140 -7.465 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -0.518 -3.822 -7.903 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -1.250 -4.132 -6.341 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -1.254 -6.593 -6.872 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -0.434 -6.244 -8.381 1.00 0.00 H new ATOM 74 N LEU A 8 -4.480 -2.988 -7.792 1.00 0.00 N ATOM 75 CA LEU A 8 -5.229 -1.721 -7.707 1.00 0.00 C ATOM 76 C LEU A 8 -5.697 -1.448 -6.270 1.00 0.00 C ATOM 77 O LEU A 8 -6.557 -2.136 -5.721 1.00 0.00 O ATOM 78 CB LEU A 8 -6.407 -1.733 -8.693 1.00 0.00 C ATOM 79 CG LEU A 8 -7.162 -0.397 -8.762 1.00 0.00 C ATOM 80 CD1 LEU A 8 -6.327 0.702 -9.428 1.00 0.00 C ATOM 81 CD2 LEU A 8 -8.493 -0.587 -9.491 1.00 0.00 C ATOM 0 H LEU A 8 -5.070 -3.819 -7.749 1.00 0.00 H new ATOM 0 HA LEU A 8 -4.562 -0.905 -7.986 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -6.036 -1.983 -9.687 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -7.104 -2.520 -8.405 1.00 0.00 H new ATOM 0 HG LEU A 8 -7.358 -0.071 -7.741 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -6.900 1.629 -9.455 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -5.411 0.859 -8.858 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -6.075 0.402 -10.445 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -9.022 0.365 -9.536 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -8.306 -0.946 -10.503 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -9.101 -1.315 -8.954 1.00 0.00 H new ATOM 83 N PHE A 9 -5.020 -0.482 -5.666 1.00 0.00 N ATOM 84 CA PHE A 9 -5.281 -0.057 -4.278 1.00 0.00 C ATOM 85 C PHE A 9 -5.702 1.420 -4.215 1.00 0.00 C ATOM 86 O PHE A 9 -5.232 2.259 -4.983 1.00 0.00 O ATOM 87 CB PHE A 9 -4.034 -0.290 -3.415 1.00 0.00 C ATOM 88 CG PHE A 9 -3.514 -1.731 -3.458 1.00 0.00 C ATOM 89 CD1 PHE A 9 -4.125 -2.722 -2.696 1.00 0.00 C ATOM 90 CD2 PHE A 9 -2.361 -2.023 -4.175 1.00 0.00 C ATOM 91 CE1 PHE A 9 -3.573 -3.995 -2.628 1.00 0.00 C ATOM 92 CE2 PHE A 9 -1.819 -3.301 -4.113 1.00 0.00 C ATOM 93 CZ PHE A 9 -2.415 -4.286 -3.336 1.00 0.00 C ATOM 0 H PHE A 9 -4.268 0.038 -6.118 1.00 0.00 H new ATOM 0 HA PHE A 9 -6.105 -0.656 -3.890 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -3.243 0.382 -3.747 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -4.263 -0.027 -2.382 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -5.033 -2.500 -2.155 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -1.888 -1.261 -4.777 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -4.044 -4.757 -2.025 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -0.925 -3.531 -4.675 1.00 0.00 H new ATOM 0 HZ PHE A 9 -1.980 -5.273 -3.283 1.00 0.00 H new ATOM 100 N SER A 10 -6.624 1.709 -3.302 1.00 0.00 N ATOM 101 CA SER A 10 -7.120 3.079 -3.045 1.00 0.00 C ATOM 102 C SER A 10 -7.144 3.385 -1.541 1.00 0.00 C ATOM 103 O SER A 10 -7.448 2.507 -0.731 1.00 0.00 O ATOM 104 CB SER A 10 -8.527 3.255 -3.640 1.00 0.00 C ATOM 105 OG SER A 10 -9.095 4.517 -3.263 1.00 0.00 O ATOM 0 H SER A 10 -7.058 1.002 -2.709 1.00 0.00 H new ATOM 0 HA SER A 10 -6.438 3.780 -3.525 1.00 0.00 H new ATOM 0 HB2 SER A 10 -8.477 3.186 -4.727 1.00 0.00 H new ATOM 0 HB3 SER A 10 -9.173 2.446 -3.299 1.00 0.00 H new ATOM 0 HG SER A 10 -9.686 4.392 -2.491 1.00 0.00 H new ATOM 108 N ILE A 11 -6.740 4.607 -1.197 1.00 0.00 N ATOM 109 CA ILE A 11 -6.868 5.095 0.191 1.00 0.00 C ATOM 110 C ILE A 11 -8.223 5.770 0.455 1.00 0.00 C ATOM 111 O ILE A 11 -8.714 6.574 -0.335 1.00 0.00 O ATOM 112 CB ILE A 11 -5.657 5.958 0.622 1.00 0.00 C ATOM 113 CG1 ILE A 11 -5.434 5.884 2.135 1.00 0.00 C ATOM 114 CG2 ILE A 11 -5.715 7.433 0.212 1.00 0.00 C ATOM 115 CD1 ILE A 11 -4.965 4.493 2.566 1.00 0.00 C ATOM 0 H ILE A 11 -6.325 5.276 -1.845 1.00 0.00 H new ATOM 0 HA ILE A 11 -6.851 4.217 0.836 1.00 0.00 H new ATOM 0 HB ILE A 11 -4.823 5.517 0.076 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -4.693 6.627 2.431 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -6.360 6.133 2.653 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -4.819 7.944 0.564 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -5.772 7.507 -0.874 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -6.596 7.899 0.654 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -4.817 4.477 3.646 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -5.718 3.754 2.292 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -4.025 4.255 2.067 1.00 0.00 H new ATOM 117 N ASP A 12 -8.674 5.560 1.685 1.00 0.00 N ATOM 118 CA ASP A 12 -9.882 6.191 2.256 1.00 0.00 C ATOM 119 C ASP A 12 -9.867 7.733 2.353 1.00 0.00 C ATOM 120 O ASP A 12 -10.918 8.328 2.575 1.00 0.00 O ATOM 121 CB ASP A 12 -10.193 5.553 3.621 1.00 0.00 C ATOM 122 CG ASP A 12 -9.161 5.757 4.745 1.00 0.00 C ATOM 123 OD1 ASP A 12 -8.090 6.353 4.487 1.00 0.00 O ATOM 124 OD2 ASP A 12 -9.437 5.261 5.857 1.00 0.00 O ATOM 0 H ASP A 12 -8.206 4.932 2.339 1.00 0.00 H new ATOM 0 HA ASP A 12 -10.678 5.992 1.538 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -11.150 5.944 3.966 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -10.322 4.481 3.471 1.00 0.00 H new ATOM 126 N LYS A 13 -8.663 8.315 2.353 1.00 0.00 N ATOM 127 CA LYS A 13 -8.371 9.754 2.559 1.00 0.00 C ATOM 128 C LYS A 13 -9.165 10.359 3.736 1.00 0.00 C ATOM 129 O LYS A 13 -9.940 11.306 3.611 1.00 0.00 O ATOM 130 CB LYS A 13 -8.537 10.501 1.227 1.00 0.00 C ATOM 131 CG LYS A 13 -7.604 11.711 1.090 1.00 0.00 C ATOM 132 CD LYS A 13 -8.260 13.028 1.509 1.00 0.00 C ATOM 133 CE LYS A 13 -7.234 14.161 1.560 1.00 0.00 C ATOM 134 NZ LYS A 13 -7.871 15.433 1.928 1.00 0.00 N ATOM 0 H LYS A 13 -7.813 7.772 2.202 1.00 0.00 H new ATOM 0 HA LYS A 13 -7.332 9.871 2.868 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -8.348 9.810 0.405 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -9.570 10.835 1.132 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -6.714 11.546 1.698 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -7.273 11.791 0.055 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -9.053 13.283 0.806 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -8.726 12.911 2.487 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -6.455 13.918 2.282 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -6.749 14.261 0.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -7.154 16.185 1.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -8.598 15.674 1.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -8.313 15.342 2.865 1.00 0.00 H new ATOM 139 N PHE A 14 -8.915 9.752 4.894 1.00 0.00 N ATOM 140 CA PHE A 14 -9.592 10.092 6.160 1.00 0.00 C ATOM 141 C PHE A 14 -8.616 10.605 7.233 1.00 0.00 C ATOM 142 O PHE A 14 -8.297 11.791 7.246 1.00 0.00 O ATOM 143 CB PHE A 14 -10.439 8.904 6.643 1.00 0.00 C ATOM 144 CG PHE A 14 -11.904 9.036 6.228 1.00 0.00 C ATOM 145 CD1 PHE A 14 -12.686 10.034 6.798 1.00 0.00 C ATOM 146 CD2 PHE A 14 -12.495 8.072 5.422 1.00 0.00 C ATOM 147 CE1 PHE A 14 -14.056 10.063 6.566 1.00 0.00 C ATOM 148 CE2 PHE A 14 -13.864 8.096 5.194 1.00 0.00 C ATOM 149 CZ PHE A 14 -14.645 9.092 5.766 1.00 0.00 C ATOM 0 H PHE A 14 -8.231 9.001 4.989 1.00 0.00 H new ATOM 0 HA PHE A 14 -10.267 10.926 5.969 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -10.030 7.979 6.237 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -10.375 8.832 7.729 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -12.228 10.788 7.422 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -11.888 7.301 4.971 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -14.662 10.840 7.007 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -14.322 7.341 4.572 1.00 0.00 H new ATOM 0 HZ PHE A 14 -15.710 9.112 5.589 1.00 0.00 H new ATOM 156 N LYS A 15 -8.121 9.708 8.086 1.00 0.00 N ATOM 157 CA LYS A 15 -7.118 10.064 9.108 1.00 0.00 C ATOM 158 C LYS A 15 -5.728 9.591 8.652 1.00 0.00 C ATOM 159 O LYS A 15 -5.129 10.241 7.798 1.00 0.00 O ATOM 160 CB LYS A 15 -7.479 9.533 10.508 1.00 0.00 C ATOM 161 CG LYS A 15 -8.814 10.029 11.074 1.00 0.00 C ATOM 162 CD LYS A 15 -9.960 9.084 10.712 1.00 0.00 C ATOM 163 CE LYS A 15 -11.263 9.539 11.368 1.00 0.00 C ATOM 164 NZ LYS A 15 -12.334 8.561 11.136 1.00 0.00 N ATOM 0 H LYS A 15 -8.395 8.725 8.095 1.00 0.00 H new ATOM 0 HA LYS A 15 -7.106 11.150 9.205 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -7.502 8.444 10.470 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -6.684 9.812 11.200 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -8.741 10.116 12.158 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -9.027 11.026 10.688 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -10.084 9.052 9.630 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -9.719 8.071 11.035 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -11.110 9.670 12.439 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -11.557 10.509 10.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -13.209 8.891 11.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -12.493 8.456 10.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -12.059 7.643 11.540 1.00 0.00 H new ATOM 169 N CYS A 16 -5.334 8.380 9.063 1.00 0.00 N ATOM 170 CA CYS A 16 -4.020 7.755 8.797 1.00 0.00 C ATOM 171 C CYS A 16 -2.820 8.544 9.364 1.00 0.00 C ATOM 172 O CYS A 16 -2.263 8.109 10.368 1.00 0.00 O ATOM 173 CB CYS A 16 -3.870 7.438 7.304 1.00 0.00 C ATOM 174 SG CYS A 16 -3.715 5.658 6.908 1.00 0.00 S ATOM 0 H CYS A 16 -5.944 7.777 9.615 1.00 0.00 H new ATOM 0 HA CYS A 16 -4.003 6.815 9.349 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -4.733 7.840 6.773 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -2.991 7.958 6.923 1.00 0.00 H new ATOM 176 N ASN A 17 -2.655 9.793 8.911 1.00 0.00 N ATOM 177 CA ASN A 17 -1.569 10.739 9.271 1.00 0.00 C ATOM 178 C ASN A 17 -0.162 10.307 8.825 1.00 0.00 C ATOM 179 O ASN A 17 0.094 9.126 8.612 1.00 0.00 O ATOM 180 CB ASN A 17 -1.543 11.080 10.770 1.00 0.00 C ATOM 181 CG ASN A 17 -2.765 11.888 11.207 1.00 0.00 C ATOM 182 OD1 ASN A 17 -2.880 13.079 10.959 1.00 0.00 O ATOM 183 ND2 ASN A 17 -3.695 11.242 11.871 1.00 0.00 N ATOM 0 H ASN A 17 -3.309 10.203 8.244 1.00 0.00 H new ATOM 0 HA ASN A 17 -1.826 11.633 8.703 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -1.495 10.157 11.349 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -0.638 11.645 10.995 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -4.530 11.734 12.189 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -3.583 10.248 12.069 1.00 0.00 H new ATOM 187 N SER A 18 0.757 11.277 8.806 1.00 0.00 N ATOM 188 CA SER A 18 2.174 11.164 8.363 1.00 0.00 C ATOM 189 C SER A 18 2.308 10.877 6.857 1.00 0.00 C ATOM 190 O SER A 18 2.758 11.729 6.090 1.00 0.00 O ATOM 191 CB SER A 18 3.029 10.206 9.219 1.00 0.00 C ATOM 192 OG SER A 18 2.641 8.833 9.078 1.00 0.00 O ATOM 0 H SER A 18 0.531 12.223 9.115 1.00 0.00 H new ATOM 0 HA SER A 18 2.595 12.155 8.534 1.00 0.00 H new ATOM 0 HB2 SER A 18 4.077 10.313 8.938 1.00 0.00 H new ATOM 0 HB3 SER A 18 2.950 10.495 10.267 1.00 0.00 H new ATOM 0 HG SER A 18 1.667 8.759 9.151 1.00 0.00 H new ATOM 195 N GLU A 19 1.955 9.656 6.469 1.00 0.00 N ATOM 196 CA GLU A 19 1.738 9.237 5.078 1.00 0.00 C ATOM 197 C GLU A 19 0.675 10.128 4.407 1.00 0.00 C ATOM 198 O GLU A 19 -0.435 10.301 4.904 1.00 0.00 O ATOM 199 CB GLU A 19 1.418 7.732 5.112 1.00 0.00 C ATOM 200 CG GLU A 19 0.163 7.230 4.377 1.00 0.00 C ATOM 201 CD GLU A 19 -1.181 7.582 5.026 1.00 0.00 C ATOM 202 OE1 GLU A 19 -1.172 7.952 6.219 1.00 0.00 O ATOM 203 OE2 GLU A 19 -2.200 7.378 4.331 1.00 0.00 O ATOM 0 H GLU A 19 1.805 8.898 7.135 1.00 0.00 H new ATOM 0 HA GLU A 19 2.619 9.371 4.451 1.00 0.00 H new ATOM 0 HB2 GLU A 19 2.277 7.201 4.701 1.00 0.00 H new ATOM 0 HB3 GLU A 19 1.330 7.436 6.157 1.00 0.00 H new ATOM 0 HG2 GLU A 19 0.172 7.635 3.365 1.00 0.00 H new ATOM 0 HG3 GLU A 19 0.228 6.146 4.287 1.00 0.00 H new ATOM 205 N ALA A 20 1.160 10.807 3.376 1.00 0.00 N ATOM 206 CA ALA A 20 0.411 11.714 2.480 1.00 0.00 C ATOM 207 C ALA A 20 1.390 12.247 1.419 1.00 0.00 C ATOM 208 O ALA A 20 1.710 11.492 0.510 1.00 0.00 O ATOM 209 CB ALA A 20 -0.321 12.853 3.216 1.00 0.00 C ATOM 0 H ALA A 20 2.145 10.744 3.117 1.00 0.00 H new ATOM 0 HA ALA A 20 -0.391 11.147 2.007 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -0.847 13.475 2.492 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -1.038 12.430 3.920 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.404 13.461 3.758 1.00 0.00 H new ATOM 211 N LYS A 21 2.158 13.275 1.785 1.00 0.00 N ATOM 212 CA LYS A 21 3.054 14.016 0.871 1.00 0.00 C ATOM 213 C LYS A 21 4.120 13.166 0.154 1.00 0.00 C ATOM 214 O LYS A 21 3.892 12.759 -0.984 1.00 0.00 O ATOM 215 CB LYS A 21 3.646 15.238 1.588 1.00 0.00 C ATOM 216 CG LYS A 21 2.602 16.265 2.058 1.00 0.00 C ATOM 217 CD LYS A 21 1.913 17.078 0.948 1.00 0.00 C ATOM 218 CE LYS A 21 0.792 16.357 0.185 1.00 0.00 C ATOM 219 NZ LYS A 21 -0.353 16.014 1.045 1.00 0.00 N ATOM 0 H LYS A 21 2.181 13.629 2.741 1.00 0.00 H new ATOM 0 HA LYS A 21 2.427 14.358 0.047 1.00 0.00 H new ATOM 0 HB2 LYS A 21 4.217 14.896 2.452 1.00 0.00 H new ATOM 0 HB3 LYS A 21 4.349 15.733 0.917 1.00 0.00 H new ATOM 0 HG2 LYS A 21 1.835 15.740 2.627 1.00 0.00 H new ATOM 0 HG3 LYS A 21 3.087 16.960 2.743 1.00 0.00 H new ATOM 0 HD2 LYS A 21 1.500 17.984 1.391 1.00 0.00 H new ATOM 0 HD3 LYS A 21 2.671 17.392 0.230 1.00 0.00 H new ATOM 0 HE2 LYS A 21 0.449 16.991 -0.633 1.00 0.00 H new ATOM 0 HE3 LYS A 21 1.190 15.446 -0.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -0.503 14.985 1.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -0.160 16.321 2.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -1.207 16.493 0.694 1.00 0.00 H new ATOM 224 N TYR A 22 5.193 12.795 0.862 1.00 0.00 N ATOM 225 CA TYR A 22 6.255 11.905 0.334 1.00 0.00 C ATOM 226 C TYR A 22 5.683 10.607 -0.262 1.00 0.00 C ATOM 227 O TYR A 22 6.019 10.224 -1.380 1.00 0.00 O ATOM 228 CB TYR A 22 7.244 11.567 1.458 1.00 0.00 C ATOM 229 CG TYR A 22 8.359 10.592 1.049 1.00 0.00 C ATOM 230 CD1 TYR A 22 9.520 11.082 0.462 1.00 0.00 C ATOM 231 CD2 TYR A 22 8.326 9.277 1.500 1.00 0.00 C ATOM 232 CE1 TYR A 22 10.652 10.282 0.374 1.00 0.00 C ATOM 233 CE2 TYR A 22 9.466 8.487 1.445 1.00 0.00 C ATOM 234 CZ TYR A 22 10.635 8.993 0.893 1.00 0.00 C ATOM 235 OH TYR A 22 11.756 8.228 0.851 1.00 0.00 O ATOM 0 H TYR A 22 5.358 13.100 1.821 1.00 0.00 H new ATOM 0 HA TYR A 22 6.764 12.437 -0.470 1.00 0.00 H new ATOM 0 HB2 TYR A 22 7.699 12.491 1.816 1.00 0.00 H new ATOM 0 HB3 TYR A 22 6.692 11.139 2.295 1.00 0.00 H new ATOM 0 HD1 TYR A 22 9.542 12.089 0.073 1.00 0.00 H new ATOM 0 HD2 TYR A 22 7.408 8.868 1.895 1.00 0.00 H new ATOM 0 HE1 TYR A 22 11.546 10.662 -0.098 1.00 0.00 H new ATOM 0 HE2 TYR A 22 9.444 7.479 1.832 1.00 0.00 H new ATOM 0 HH TYR A 22 11.757 7.607 1.609 1.00 0.00 H new ATOM 242 N TYR A 23 4.642 10.114 0.398 1.00 0.00 N ATOM 243 CA TYR A 23 3.938 8.894 -0.005 1.00 0.00 C ATOM 244 C TYR A 23 3.323 8.969 -1.399 1.00 0.00 C ATOM 245 O TYR A 23 3.845 8.317 -2.297 1.00 0.00 O ATOM 246 CB TYR A 23 2.913 8.526 1.058 1.00 0.00 C ATOM 247 CG TYR A 23 3.237 7.140 1.592 1.00 0.00 C ATOM 248 CD1 TYR A 23 4.543 6.752 1.894 1.00 0.00 C ATOM 249 CD2 TYR A 23 2.171 6.334 1.939 1.00 0.00 C ATOM 250 CE1 TYR A 23 4.777 5.564 2.557 1.00 0.00 C ATOM 251 CE2 TYR A 23 2.406 5.182 2.657 1.00 0.00 C ATOM 252 CZ TYR A 23 3.699 4.793 2.951 1.00 0.00 C ATOM 253 OH TYR A 23 3.884 3.576 3.498 1.00 0.00 O ATOM 0 H TYR A 23 4.256 10.550 1.235 1.00 0.00 H new ATOM 0 HA TYR A 23 4.679 8.098 -0.079 1.00 0.00 H new ATOM 0 HB2 TYR A 23 2.930 9.256 1.867 1.00 0.00 H new ATOM 0 HB3 TYR A 23 1.908 8.542 0.635 1.00 0.00 H new ATOM 0 HD1 TYR A 23 5.372 7.382 1.608 1.00 0.00 H new ATOM 0 HD2 TYR A 23 1.166 6.603 1.651 1.00 0.00 H new ATOM 0 HE1 TYR A 23 5.787 5.242 2.765 1.00 0.00 H new ATOM 0 HE2 TYR A 23 1.575 4.579 2.992 1.00 0.00 H new ATOM 0 HH TYR A 23 3.460 2.896 2.934 1.00 0.00 H new ATOM 260 N LEU A 24 2.374 9.879 -1.604 1.00 0.00 N ATOM 261 CA LEU A 24 1.779 10.106 -2.933 1.00 0.00 C ATOM 262 C LEU A 24 2.832 10.493 -3.987 1.00 0.00 C ATOM 263 O LEU A 24 2.931 9.797 -4.993 1.00 0.00 O ATOM 264 CB LEU A 24 0.569 11.053 -2.863 1.00 0.00 C ATOM 265 CG LEU A 24 0.791 12.464 -2.305 1.00 0.00 C ATOM 266 CD1 LEU A 24 1.259 13.446 -3.382 1.00 0.00 C ATOM 267 CD2 LEU A 24 -0.503 12.964 -1.659 1.00 0.00 C ATOM 0 H LEU A 24 1.995 10.476 -0.869 1.00 0.00 H new ATOM 0 HA LEU A 24 1.377 9.155 -3.283 1.00 0.00 H new ATOM 0 HB2 LEU A 24 0.164 11.152 -3.870 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -0.198 10.571 -2.257 1.00 0.00 H new ATOM 0 HG LEU A 24 1.583 12.408 -1.558 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.402 14.431 -2.938 1.00 0.00 H new ATOM 0 HD12 LEU A 24 2.201 13.099 -3.807 1.00 0.00 H new ATOM 0 HD13 LEU A 24 0.507 13.508 -4.169 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.347 13.967 -1.262 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.297 12.989 -2.406 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.788 12.293 -0.849 1.00 0.00 H new ATOM 269 N ASN A 25 3.813 11.297 -3.575 1.00 0.00 N ATOM 270 CA ASN A 25 4.964 11.664 -4.428 1.00 0.00 C ATOM 271 C ASN A 25 5.820 10.494 -4.954 1.00 0.00 C ATOM 272 O ASN A 25 6.545 10.670 -5.931 1.00 0.00 O ATOM 273 CB ASN A 25 5.848 12.709 -3.733 1.00 0.00 C ATOM 274 CG ASN A 25 5.274 14.129 -3.820 1.00 0.00 C ATOM 275 OD1 ASN A 25 4.278 14.425 -4.466 1.00 0.00 O ATOM 276 ND2 ASN A 25 5.924 15.070 -3.174 1.00 0.00 N ATOM 0 H ASN A 25 3.840 11.715 -2.645 1.00 0.00 H new ATOM 0 HA ASN A 25 4.506 12.087 -5.322 1.00 0.00 H new ATOM 0 HB2 ASN A 25 5.970 12.435 -2.685 1.00 0.00 H new ATOM 0 HB3 ASN A 25 6.840 12.695 -4.183 1.00 0.00 H new ATOM 0 HD21 ASN A 25 5.597 16.035 -3.214 1.00 0.00 H new ATOM 0 HD22 ASN A 25 6.756 14.835 -2.632 1.00 0.00 H new ATOM 280 N ILE A 26 5.808 9.357 -4.255 1.00 0.00 N ATOM 281 CA ILE A 26 6.540 8.148 -4.700 1.00 0.00 C ATOM 282 C ILE A 26 5.618 6.960 -5.084 1.00 0.00 C ATOM 283 O ILE A 26 5.954 6.205 -5.996 1.00 0.00 O ATOM 284 CB ILE A 26 7.614 7.737 -3.662 1.00 0.00 C ATOM 285 CG1 ILE A 26 8.393 8.918 -3.037 1.00 0.00 C ATOM 286 CG2 ILE A 26 8.583 6.695 -4.245 1.00 0.00 C ATOM 287 CD1 ILE A 26 9.218 9.816 -3.972 1.00 0.00 C ATOM 0 H ILE A 26 5.302 9.239 -3.377 1.00 0.00 H new ATOM 0 HA ILE A 26 7.045 8.423 -5.626 1.00 0.00 H new ATOM 0 HB ILE A 26 7.053 7.290 -2.841 1.00 0.00 H new ATOM 0 HG12 ILE A 26 7.676 9.551 -2.514 1.00 0.00 H new ATOM 0 HG13 ILE A 26 9.068 8.511 -2.284 1.00 0.00 H new ATOM 0 HG21 ILE A 26 9.325 6.427 -3.493 1.00 0.00 H new ATOM 0 HG22 ILE A 26 8.026 5.805 -4.539 1.00 0.00 H new ATOM 0 HG23 ILE A 26 9.086 7.113 -5.117 1.00 0.00 H new ATOM 0 HD11 ILE A 26 9.706 10.598 -3.389 1.00 0.00 H new ATOM 0 HD12 ILE A 26 9.974 9.216 -4.479 1.00 0.00 H new ATOM 0 HD13 ILE A 26 8.560 10.272 -4.712 1.00 0.00 H new ATOM 289 N ILE A 27 4.484 6.764 -4.401 1.00 0.00 N ATOM 290 CA ILE A 27 3.545 5.657 -4.711 1.00 0.00 C ATOM 291 C ILE A 27 2.440 5.978 -5.738 1.00 0.00 C ATOM 292 O ILE A 27 2.039 5.065 -6.458 1.00 0.00 O ATOM 293 CB ILE A 27 2.946 4.959 -3.460 1.00 0.00 C ATOM 294 CG1 ILE A 27 2.305 3.614 -3.873 1.00 0.00 C ATOM 295 CG2 ILE A 27 1.992 5.867 -2.663 1.00 0.00 C ATOM 296 CD1 ILE A 27 1.718 2.713 -2.780 1.00 0.00 C ATOM 0 H ILE A 27 4.185 7.355 -3.625 1.00 0.00 H new ATOM 0 HA ILE A 27 4.208 4.945 -5.203 1.00 0.00 H new ATOM 0 HB ILE A 27 3.758 4.747 -2.765 1.00 0.00 H new ATOM 0 HG12 ILE A 27 1.509 3.832 -4.585 1.00 0.00 H new ATOM 0 HG13 ILE A 27 3.061 3.037 -4.406 1.00 0.00 H new ATOM 0 HG21 ILE A 27 1.606 5.322 -1.801 1.00 0.00 H new ATOM 0 HG22 ILE A 27 2.531 6.751 -2.322 1.00 0.00 H new ATOM 0 HG23 ILE A 27 1.162 6.172 -3.301 1.00 0.00 H new ATOM 0 HD11 ILE A 27 1.308 1.811 -3.234 1.00 0.00 H new ATOM 0 HD12 ILE A 27 2.502 2.440 -2.073 1.00 0.00 H new ATOM 0 HD13 ILE A 27 0.926 3.247 -2.255 1.00 0.00 H new ATOM 298 N GLU A 28 1.962 7.225 -5.799 1.00 0.00 N ATOM 299 CA GLU A 28 0.753 7.590 -6.575 1.00 0.00 C ATOM 300 C GLU A 28 0.942 7.293 -8.072 1.00 0.00 C ATOM 301 O GLU A 28 1.597 8.030 -8.809 1.00 0.00 O ATOM 302 CB GLU A 28 0.395 9.062 -6.355 1.00 0.00 C ATOM 303 CG GLU A 28 -1.098 9.343 -6.531 1.00 0.00 C ATOM 304 CD GLU A 28 -1.376 10.848 -6.485 1.00 0.00 C ATOM 305 OE1 GLU A 28 -1.419 11.393 -5.360 1.00 0.00 O ATOM 306 OE2 GLU A 28 -1.643 11.403 -7.572 1.00 0.00 O ATOM 0 H GLU A 28 2.394 8.013 -5.317 1.00 0.00 H new ATOM 0 HA GLU A 28 -0.074 6.977 -6.216 1.00 0.00 H new ATOM 0 HB2 GLU A 28 0.700 9.359 -5.352 1.00 0.00 H new ATOM 0 HB3 GLU A 28 0.961 9.677 -7.055 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -1.440 8.934 -7.482 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -1.663 8.840 -5.746 1.00 0.00 H new ATOM 308 N GLY A 29 0.411 6.125 -8.439 1.00 0.00 N ATOM 309 CA GLY A 29 0.618 5.509 -9.762 1.00 0.00 C ATOM 310 C GLY A 29 1.106 4.061 -9.612 1.00 0.00 C ATOM 311 O GLY A 29 0.817 3.401 -8.615 1.00 0.00 O ATOM 0 H GLY A 29 -0.182 5.570 -7.823 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -0.313 5.528 -10.328 1.00 0.00 H new ATOM 0 HA3 GLY A 29 1.347 6.088 -10.329 1.00 0.00 H new ATOM 313 N GLU A 30 1.894 3.626 -10.599 1.00 0.00 N ATOM 314 CA GLU A 30 2.244 2.200 -10.775 1.00 0.00 C ATOM 315 C GLU A 30 3.715 1.800 -10.961 1.00 0.00 C ATOM 316 O GLU A 30 4.343 2.086 -11.981 1.00 0.00 O ATOM 317 CB GLU A 30 1.374 1.520 -11.843 1.00 0.00 C ATOM 318 CG GLU A 30 1.262 2.271 -13.175 1.00 0.00 C ATOM 319 CD GLU A 30 0.511 1.488 -14.261 1.00 0.00 C ATOM 320 OE1 GLU A 30 -0.255 0.561 -13.915 1.00 0.00 O ATOM 321 OE2 GLU A 30 0.768 1.808 -15.438 1.00 0.00 O ATOM 0 H GLU A 30 2.309 4.242 -11.298 1.00 0.00 H new ATOM 0 HA GLU A 30 2.022 1.826 -9.776 1.00 0.00 H new ATOM 0 HB2 GLU A 30 1.778 0.527 -12.038 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.372 1.382 -11.437 1.00 0.00 H new ATOM 0 HG2 GLU A 30 0.753 3.220 -13.006 1.00 0.00 H new ATOM 0 HG3 GLU A 30 2.264 2.506 -13.535 1.00 0.00 H new ATOM 323 N TRP A 31 4.111 0.886 -10.081 1.00 0.00 N ATOM 324 CA TRP A 31 5.465 0.302 -9.997 1.00 0.00 C ATOM 325 C TRP A 31 5.788 -0.696 -11.119 1.00 0.00 C ATOM 326 O TRP A 31 5.300 -1.828 -11.127 1.00 0.00 O ATOM 327 CB TRP A 31 5.668 -0.350 -8.623 1.00 0.00 C ATOM 328 CG TRP A 31 5.681 0.661 -7.472 1.00 0.00 C ATOM 329 CD1 TRP A 31 4.784 1.617 -7.217 1.00 0.00 C ATOM 330 CD2 TRP A 31 6.664 0.750 -6.500 1.00 0.00 C ATOM 331 NE1 TRP A 31 5.164 2.313 -6.148 1.00 0.00 N ATOM 332 CE2 TRP A 31 6.308 1.818 -5.691 1.00 0.00 C ATOM 333 CE3 TRP A 31 7.904 0.138 -6.349 1.00 0.00 C ATOM 334 CZ2 TRP A 31 7.199 2.295 -4.746 1.00 0.00 C ATOM 335 CZ3 TRP A 31 8.809 0.639 -5.421 1.00 0.00 C ATOM 336 CH2 TRP A 31 8.463 1.738 -4.642 1.00 0.00 C ATOM 0 H TRP A 31 3.479 0.510 -9.374 1.00 0.00 H new ATOM 0 HA TRP A 31 6.163 1.128 -10.129 1.00 0.00 H new ATOM 0 HB2 TRP A 31 4.873 -1.076 -8.451 1.00 0.00 H new ATOM 0 HB3 TRP A 31 6.608 -0.901 -8.625 1.00 0.00 H new ATOM 0 HD1 TRP A 31 3.887 1.798 -7.791 1.00 0.00 H new ATOM 0 HE1 TRP A 31 4.657 3.101 -5.744 1.00 0.00 H new ATOM 0 HE3 TRP A 31 8.162 -0.722 -6.950 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 6.909 3.102 -4.089 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 9.778 0.176 -5.305 1.00 0.00 H new ATOM 0 HH2 TRP A 31 9.182 2.158 -3.954 1.00 0.00 H new ATOM 344 N HIS A 32 6.588 -0.221 -12.074 1.00 0.00 N ATOM 345 CA HIS A 32 7.037 -0.992 -13.255 1.00 0.00 C ATOM 346 C HIS A 32 8.180 -0.281 -14.008 1.00 0.00 C ATOM 347 O HIS A 32 8.204 0.951 -13.992 1.00 0.00 O ATOM 348 CB HIS A 32 5.880 -1.275 -14.235 1.00 0.00 C ATOM 349 CG HIS A 32 5.325 -0.079 -15.023 1.00 0.00 C ATOM 350 ND1 HIS A 32 5.094 1.159 -14.590 1.00 0.00 N ATOM 351 CD2 HIS A 32 5.081 -0.100 -16.330 1.00 0.00 C ATOM 352 CE1 HIS A 32 4.723 1.899 -15.630 1.00 0.00 C ATOM 353 NE2 HIS A 32 4.710 1.118 -16.704 1.00 0.00 N ATOM 0 H HIS A 32 6.955 0.730 -12.056 1.00 0.00 H new ATOM 0 HA HIS A 32 7.408 -1.941 -12.868 1.00 0.00 H new ATOM 0 HB2 HIS A 32 6.218 -2.025 -14.951 1.00 0.00 H new ATOM 0 HB3 HIS A 32 5.060 -1.719 -13.671 1.00 0.00 H new ATOM 0 HD1 HIS A 32 5.186 1.483 -13.627 1.00 0.00 H new ATOM 0 HD2 HIS A 32 5.170 -0.961 -16.976 1.00 0.00 H new ATOM 0 HE1 HIS A 32 4.476 2.950 -15.606 1.00 0.00 H new ATOM 356 N PRO A 33 9.141 -1.040 -14.568 1.00 0.00 N ATOM 357 CA PRO A 33 10.176 -0.499 -15.471 1.00 0.00 C ATOM 358 C PRO A 33 9.586 -0.059 -16.823 1.00 0.00 C ATOM 359 O PRO A 33 9.142 1.078 -16.937 1.00 0.00 O ATOM 360 CB PRO A 33 11.260 -1.586 -15.530 1.00 0.00 C ATOM 361 CG PRO A 33 10.501 -2.878 -15.235 1.00 0.00 C ATOM 362 CD PRO A 33 9.440 -2.444 -14.224 1.00 0.00 C ATOM 0 HA PRO A 33 10.622 0.429 -15.112 1.00 0.00 H new ATOM 0 HB2 PRO A 33 11.740 -1.619 -16.508 1.00 0.00 H new ATOM 0 HB3 PRO A 33 12.045 -1.407 -14.796 1.00 0.00 H new ATOM 0 HG2 PRO A 33 10.051 -3.294 -16.136 1.00 0.00 H new ATOM 0 HG3 PRO A 33 11.158 -3.645 -14.824 1.00 0.00 H new ATOM 0 HD2 PRO A 33 8.548 -3.067 -14.295 1.00 0.00 H new ATOM 0 HD3 PRO A 33 9.809 -2.531 -13.202 1.00 0.00 H new ATOM 363 N GLN A 34 9.649 -0.928 -17.834 1.00 0.00 N ATOM 364 CA GLN A 34 8.992 -0.719 -19.145 1.00 0.00 C ATOM 365 C GLN A 34 8.210 -1.938 -19.672 1.00 0.00 C ATOM 366 O GLN A 34 7.802 -1.985 -20.832 1.00 0.00 O ATOM 367 CB GLN A 34 10.051 -0.278 -20.163 1.00 0.00 C ATOM 368 CG GLN A 34 10.236 1.241 -20.143 1.00 0.00 C ATOM 369 CD GLN A 34 11.491 1.660 -20.908 1.00 0.00 C ATOM 370 OE1 GLN A 34 11.606 1.559 -22.120 1.00 0.00 O ATOM 371 NE2 GLN A 34 12.485 2.119 -20.179 1.00 0.00 N ATOM 0 H GLN A 34 10.161 -1.808 -17.774 1.00 0.00 H new ATOM 0 HA GLN A 34 8.239 0.056 -19.000 1.00 0.00 H new ATOM 0 HB2 GLN A 34 11.000 -0.766 -19.940 1.00 0.00 H new ATOM 0 HB3 GLN A 34 9.755 -0.598 -21.162 1.00 0.00 H new ATOM 0 HG2 GLN A 34 9.362 1.721 -20.583 1.00 0.00 H new ATOM 0 HG3 GLN A 34 10.304 1.587 -19.112 1.00 0.00 H new ATOM 0 HE21 GLN A 34 12.381 2.200 -19.168 1.00 0.00 H new ATOM 0 HE22 GLN A 34 13.360 2.394 -20.625 1.00 0.00 H new ATOM 375 N ASP A 35 7.937 -2.883 -18.771 1.00 0.00 N ATOM 376 CA ASP A 35 7.254 -4.160 -19.066 1.00 0.00 C ATOM 377 C ASP A 35 7.079 -4.965 -17.770 1.00 0.00 C ATOM 378 O ASP A 35 7.994 -5.025 -16.953 1.00 0.00 O ATOM 379 CB ASP A 35 8.067 -4.990 -20.070 1.00 0.00 C ATOM 380 CG ASP A 35 7.180 -5.554 -21.184 1.00 0.00 C ATOM 381 OD1 ASP A 35 6.453 -4.753 -21.811 1.00 0.00 O ATOM 382 OD2 ASP A 35 7.121 -6.799 -21.268 1.00 0.00 O ATOM 0 H ASP A 35 8.188 -2.786 -17.787 1.00 0.00 H new ATOM 0 HA ASP A 35 6.279 -3.937 -19.499 1.00 0.00 H new ATOM 0 HB2 ASP A 35 8.850 -4.370 -20.506 1.00 0.00 H new ATOM 0 HB3 ASP A 35 8.563 -5.809 -19.549 1.00 0.00 H new ATOM 384 N LEU A 36 5.828 -5.369 -17.549 1.00 0.00 N ATOM 385 CA LEU A 36 5.376 -6.224 -16.423 1.00 0.00 C ATOM 386 C LEU A 36 3.927 -6.721 -16.621 1.00 0.00 C ATOM 387 O LEU A 36 3.023 -6.438 -15.831 1.00 0.00 O ATOM 388 CB LEU A 36 5.506 -5.486 -15.075 1.00 0.00 C ATOM 389 CG LEU A 36 6.695 -5.950 -14.223 1.00 0.00 C ATOM 390 CD1 LEU A 36 6.856 -5.015 -13.024 1.00 0.00 C ATOM 391 CD2 LEU A 36 6.499 -7.384 -13.718 1.00 0.00 C ATOM 0 H LEU A 36 5.062 -5.105 -18.168 1.00 0.00 H new ATOM 0 HA LEU A 36 6.030 -7.096 -16.408 1.00 0.00 H new ATOM 0 HB2 LEU A 36 5.603 -4.417 -15.265 1.00 0.00 H new ATOM 0 HB3 LEU A 36 4.587 -5.626 -14.505 1.00 0.00 H new ATOM 0 HG LEU A 36 7.588 -5.926 -14.848 1.00 0.00 H new ATOM 0 HD11 LEU A 36 7.700 -5.343 -12.418 1.00 0.00 H new ATOM 0 HD12 LEU A 36 7.035 -3.999 -13.376 1.00 0.00 H new ATOM 0 HD13 LEU A 36 5.947 -5.035 -12.422 1.00 0.00 H new ATOM 0 HD21 LEU A 36 7.360 -7.679 -13.118 1.00 0.00 H new ATOM 0 HD22 LEU A 36 5.597 -7.435 -13.108 1.00 0.00 H new ATOM 0 HD23 LEU A 36 6.400 -8.059 -14.568 1.00 0.00 H new ATOM 393 N ASN A 37 3.710 -7.362 -17.775 1.00 0.00 N ATOM 394 CA ASN A 37 2.386 -7.851 -18.238 1.00 0.00 C ATOM 395 C ASN A 37 1.213 -6.857 -18.086 1.00 0.00 C ATOM 396 O ASN A 37 0.057 -7.238 -17.919 1.00 0.00 O ATOM 397 CB ASN A 37 2.061 -9.202 -17.582 1.00 0.00 C ATOM 398 CG ASN A 37 2.850 -10.344 -18.224 1.00 0.00 C ATOM 399 OD1 ASN A 37 2.486 -10.896 -19.248 1.00 0.00 O ATOM 400 ND2 ASN A 37 3.971 -10.713 -17.642 1.00 0.00 N ATOM 0 H ASN A 37 4.461 -7.565 -18.435 1.00 0.00 H new ATOM 0 HA ASN A 37 2.488 -7.971 -19.317 1.00 0.00 H new ATOM 0 HB2 ASN A 37 2.290 -9.155 -16.517 1.00 0.00 H new ATOM 0 HB3 ASN A 37 0.993 -9.402 -17.670 1.00 0.00 H new ATOM 0 HD21 ASN A 37 4.534 -11.460 -18.048 1.00 0.00 H new ATOM 0 HD22 ASN A 37 4.277 -10.252 -16.785 1.00 0.00 H new ATOM 404 N ASP A 38 1.524 -5.562 -18.211 1.00 0.00 N ATOM 405 CA ASP A 38 0.598 -4.443 -17.916 1.00 0.00 C ATOM 406 C ASP A 38 -0.277 -4.642 -16.657 1.00 0.00 C ATOM 407 O ASP A 38 -1.501 -4.531 -16.690 1.00 0.00 O ATOM 408 CB ASP A 38 -0.201 -4.037 -19.171 1.00 0.00 C ATOM 409 CG ASP A 38 -0.825 -5.206 -19.946 1.00 0.00 C ATOM 410 OD1 ASP A 38 -0.093 -5.740 -20.812 1.00 0.00 O ATOM 411 OD2 ASP A 38 -1.997 -5.529 -19.667 1.00 0.00 O ATOM 0 H ASP A 38 2.442 -5.248 -18.526 1.00 0.00 H new ATOM 0 HA ASP A 38 1.226 -3.595 -17.645 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -0.995 -3.353 -18.873 1.00 0.00 H new ATOM 0 HB3 ASP A 38 0.459 -3.486 -19.842 1.00 0.00 H new ATOM 413 N SER A 39 0.365 -5.165 -15.610 1.00 0.00 N ATOM 414 CA SER A 39 -0.299 -5.462 -14.321 1.00 0.00 C ATOM 415 C SER A 39 0.482 -5.080 -13.034 1.00 0.00 C ATOM 416 O SER A 39 0.578 -5.902 -12.117 1.00 0.00 O ATOM 417 CB SER A 39 -0.687 -6.945 -14.359 1.00 0.00 C ATOM 418 OG SER A 39 -1.855 -7.103 -15.164 1.00 0.00 O ATOM 0 H SER A 39 1.358 -5.397 -15.623 1.00 0.00 H new ATOM 0 HA SER A 39 -1.170 -4.813 -14.237 1.00 0.00 H new ATOM 0 HB2 SER A 39 0.133 -7.538 -14.766 1.00 0.00 H new ATOM 0 HB3 SER A 39 -0.874 -7.310 -13.349 1.00 0.00 H new ATOM 0 HG SER A 39 -1.995 -6.294 -15.699 1.00 0.00 H new ATOM 421 N PRO A 40 0.950 -3.823 -12.908 1.00 0.00 N ATOM 422 CA PRO A 40 1.859 -3.376 -11.826 1.00 0.00 C ATOM 423 C PRO A 40 1.146 -3.145 -10.475 1.00 0.00 C ATOM 424 O PRO A 40 0.032 -3.618 -10.254 1.00 0.00 O ATOM 425 CB PRO A 40 2.460 -2.068 -12.365 1.00 0.00 C ATOM 426 CG PRO A 40 2.061 -2.004 -13.837 1.00 0.00 C ATOM 427 CD PRO A 40 0.704 -2.697 -13.827 1.00 0.00 C ATOM 0 HA PRO A 40 2.605 -4.138 -11.601 1.00 0.00 H new ATOM 0 HB2 PRO A 40 2.077 -1.207 -11.818 1.00 0.00 H new ATOM 0 HB3 PRO A 40 3.544 -2.060 -12.253 1.00 0.00 H new ATOM 0 HG2 PRO A 40 1.992 -0.977 -14.197 1.00 0.00 H new ATOM 0 HG3 PRO A 40 2.778 -2.519 -14.477 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -0.088 -2.041 -13.467 1.00 0.00 H new ATOM 0 HD3 PRO A 40 0.410 -3.036 -14.820 1.00 0.00 H new ATOM 428 N LEU A 41 1.832 -2.409 -9.594 1.00 0.00 N ATOM 429 CA LEU A 41 1.329 -1.925 -8.289 1.00 0.00 C ATOM 430 C LEU A 41 0.879 -0.460 -8.421 1.00 0.00 C ATOM 431 O LEU A 41 1.719 0.437 -8.493 1.00 0.00 O ATOM 432 CB LEU A 41 2.465 -2.021 -7.254 1.00 0.00 C ATOM 433 CG LEU A 41 2.113 -1.423 -5.883 1.00 0.00 C ATOM 434 CD1 LEU A 41 1.532 -2.469 -4.937 1.00 0.00 C ATOM 435 CD2 LEU A 41 3.332 -0.755 -5.253 1.00 0.00 C ATOM 0 H LEU A 41 2.794 -2.118 -9.771 1.00 0.00 H new ATOM 0 HA LEU A 41 0.482 -2.532 -7.970 1.00 0.00 H new ATOM 0 HB2 LEU A 41 2.736 -3.069 -7.123 1.00 0.00 H new ATOM 0 HB3 LEU A 41 3.345 -1.511 -7.647 1.00 0.00 H new ATOM 0 HG LEU A 41 1.346 -0.667 -6.050 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.297 -2.003 -3.980 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.623 -2.886 -5.370 1.00 0.00 H new ATOM 0 HD13 LEU A 41 2.260 -3.266 -4.784 1.00 0.00 H new ATOM 0 HD21 LEU A 41 3.058 -0.339 -4.283 1.00 0.00 H new ATOM 0 HD22 LEU A 41 4.124 -1.493 -5.121 1.00 0.00 H new ATOM 0 HD23 LEU A 41 3.686 0.044 -5.904 1.00 0.00 H new ATOM 437 N LYS A 42 -0.432 -0.263 -8.529 1.00 0.00 N ATOM 438 CA LYS A 42 -1.038 1.081 -8.586 1.00 0.00 C ATOM 439 C LYS A 42 -1.990 1.414 -7.434 1.00 0.00 C ATOM 440 O LYS A 42 -2.968 0.716 -7.162 1.00 0.00 O ATOM 441 CB LYS A 42 -1.653 1.437 -9.947 1.00 0.00 C ATOM 442 CG LYS A 42 -2.591 0.414 -10.595 1.00 0.00 C ATOM 443 CD LYS A 42 -2.866 0.880 -12.026 1.00 0.00 C ATOM 444 CE LYS A 42 -3.595 -0.165 -12.875 1.00 0.00 C ATOM 445 NZ LYS A 42 -5.046 0.064 -12.917 1.00 0.00 N ATOM 0 H LYS A 42 -1.110 -1.023 -8.580 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.175 1.733 -8.451 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -2.203 2.371 -9.832 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -0.837 1.632 -10.643 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -2.136 -0.576 -10.596 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -3.521 0.337 -10.032 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -3.462 1.792 -11.995 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -1.921 1.133 -12.506 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -3.197 -0.147 -13.890 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -3.398 -1.159 -12.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -5.540 -0.765 -12.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -5.281 0.904 -12.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -5.345 0.215 -13.902 1.00 0.00 H new ATOM 450 N PHE A 43 -1.566 2.430 -6.695 1.00 0.00 N ATOM 451 CA PHE A 43 -2.350 3.005 -5.589 1.00 0.00 C ATOM 452 C PHE A 43 -2.709 4.474 -5.842 1.00 0.00 C ATOM 453 O PHE A 43 -1.879 5.295 -6.236 1.00 0.00 O ATOM 454 CB PHE A 43 -1.609 2.804 -4.261 1.00 0.00 C ATOM 455 CG PHE A 43 -2.150 3.622 -3.081 1.00 0.00 C ATOM 456 CD1 PHE A 43 -3.137 3.126 -2.236 1.00 0.00 C ATOM 457 CD2 PHE A 43 -1.514 4.815 -2.766 1.00 0.00 C ATOM 458 CE1 PHE A 43 -3.448 3.794 -1.059 1.00 0.00 C ATOM 459 CE2 PHE A 43 -1.824 5.488 -1.592 1.00 0.00 C ATOM 460 CZ PHE A 43 -2.779 4.967 -0.731 1.00 0.00 C ATOM 0 H PHE A 43 -0.666 2.887 -6.839 1.00 0.00 H new ATOM 0 HA PHE A 43 -3.300 2.474 -5.528 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -1.648 1.747 -3.998 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -0.559 3.058 -4.407 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -3.663 2.219 -2.496 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -0.773 5.222 -3.438 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -4.209 3.403 -0.400 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -1.324 6.414 -1.350 1.00 0.00 H new ATOM 0 HZ PHE A 43 -3.003 5.474 0.196 1.00 0.00 H new ATOM 467 N ILE A 44 -3.981 4.729 -5.570 1.00 0.00 N ATOM 468 CA ILE A 44 -4.612 6.061 -5.644 1.00 0.00 C ATOM 469 C ILE A 44 -5.111 6.543 -4.269 1.00 0.00 C ATOM 470 O ILE A 44 -5.090 5.819 -3.271 1.00 0.00 O ATOM 471 CB ILE A 44 -5.740 6.108 -6.697 1.00 0.00 C ATOM 472 CG1 ILE A 44 -6.786 5.000 -6.490 1.00 0.00 C ATOM 473 CG2 ILE A 44 -5.131 6.112 -8.107 1.00 0.00 C ATOM 474 CD1 ILE A 44 -8.128 5.283 -7.176 1.00 0.00 C ATOM 0 H ILE A 44 -4.632 3.999 -5.282 1.00 0.00 H new ATOM 0 HA ILE A 44 -3.835 6.754 -5.967 1.00 0.00 H new ATOM 0 HB ILE A 44 -6.295 7.038 -6.571 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -6.386 4.059 -6.869 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -6.955 4.867 -5.421 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -5.930 6.145 -8.848 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -4.491 6.986 -8.224 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -4.540 5.207 -8.251 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -8.815 4.458 -6.986 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -8.551 6.206 -6.780 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -7.973 5.386 -8.250 1.00 0.00 H new ATOM 476 N LEU A 45 -5.703 7.733 -4.290 1.00 0.00 N ATOM 477 CA LEU A 45 -6.111 8.463 -3.078 1.00 0.00 C ATOM 478 C LEU A 45 -7.530 9.027 -3.225 1.00 0.00 C ATOM 479 O LEU A 45 -7.932 9.393 -4.330 1.00 0.00 O ATOM 480 CB LEU A 45 -5.058 9.538 -2.723 1.00 0.00 C ATOM 481 CG LEU A 45 -4.857 10.823 -3.555 1.00 0.00 C ATOM 482 CD1 LEU A 45 -4.747 10.607 -5.067 1.00 0.00 C ATOM 483 CD2 LEU A 45 -5.873 11.906 -3.185 1.00 0.00 C ATOM 0 H LEU A 45 -5.919 8.229 -5.155 1.00 0.00 H new ATOM 0 HA LEU A 45 -6.151 7.771 -2.237 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.275 9.859 -1.704 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -4.094 9.031 -2.699 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.869 11.186 -3.272 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -4.608 11.568 -5.563 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -3.895 9.961 -5.281 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.660 10.138 -5.435 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.697 12.793 -3.793 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -6.882 11.536 -3.367 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.765 12.161 -2.131 1.00 0.00 H new ATOM 485 N SER A 46 -8.283 8.985 -2.124 1.00 0.00 N ATOM 486 CA SER A 46 -9.660 9.527 -2.046 1.00 0.00 C ATOM 487 C SER A 46 -10.568 8.769 -3.039 1.00 0.00 C ATOM 488 O SER A 46 -10.395 7.562 -3.215 1.00 0.00 O ATOM 489 CB SER A 46 -9.631 11.061 -2.233 1.00 0.00 C ATOM 490 OG SER A 46 -10.916 11.654 -2.006 1.00 0.00 O ATOM 0 H SER A 46 -7.960 8.572 -1.249 1.00 0.00 H new ATOM 0 HA SER A 46 -10.095 9.363 -1.060 1.00 0.00 H new ATOM 0 HB2 SER A 46 -8.905 11.496 -1.547 1.00 0.00 H new ATOM 0 HB3 SER A 46 -9.296 11.297 -3.243 1.00 0.00 H new ATOM 0 HG SER A 46 -10.856 12.624 -2.132 1.00 0.00 H new ATOM 493 N THR A 47 -11.498 9.486 -3.665 1.00 0.00 N ATOM 494 CA THR A 47 -12.447 9.012 -4.693 1.00 0.00 C ATOM 495 C THR A 47 -13.464 8.003 -4.134 1.00 0.00 C ATOM 496 O THR A 47 -13.120 6.918 -3.668 1.00 0.00 O ATOM 497 CB THR A 47 -11.708 8.596 -5.987 1.00 0.00 C ATOM 498 OG1 THR A 47 -12.457 9.104 -7.089 1.00 0.00 O ATOM 499 CG2 THR A 47 -11.427 7.101 -6.199 1.00 0.00 C ATOM 0 H THR A 47 -11.624 10.477 -3.462 1.00 0.00 H new ATOM 0 HA THR A 47 -13.079 9.845 -5.000 1.00 0.00 H new ATOM 0 HB THR A 47 -10.708 9.021 -5.896 1.00 0.00 H new ATOM 0 HG1 THR A 47 -12.013 8.858 -7.927 1.00 0.00 H new ATOM 0 HG21 THR A 47 -10.905 6.960 -7.145 1.00 0.00 H new ATOM 0 HG22 THR A 47 -10.807 6.728 -5.383 1.00 0.00 H new ATOM 0 HG23 THR A 47 -12.369 6.553 -6.219 1.00 0.00 H new ATOM 502 N SER A 48 -14.703 8.488 -4.066 1.00 0.00 N ATOM 503 CA SER A 48 -15.871 7.777 -3.491 1.00 0.00 C ATOM 504 C SER A 48 -15.701 7.405 -2.009 1.00 0.00 C ATOM 505 O SER A 48 -14.945 6.508 -1.638 1.00 0.00 O ATOM 506 CB SER A 48 -16.233 6.529 -4.306 1.00 0.00 C ATOM 507 OG SER A 48 -16.516 6.909 -5.656 1.00 0.00 O ATOM 0 H SER A 48 -14.941 9.415 -4.418 1.00 0.00 H new ATOM 0 HA SER A 48 -16.692 8.492 -3.547 1.00 0.00 H new ATOM 0 HB2 SER A 48 -15.410 5.814 -4.283 1.00 0.00 H new ATOM 0 HB3 SER A 48 -17.099 6.033 -3.867 1.00 0.00 H new ATOM 0 HG SER A 48 -16.746 6.113 -6.179 1.00 0.00 H new ATOM 510 N ASP A 49 -16.429 8.130 -1.159 1.00 0.00 N ATOM 511 CA ASP A 49 -16.389 7.922 0.306 1.00 0.00 C ATOM 512 C ASP A 49 -16.744 6.461 0.645 1.00 0.00 C ATOM 513 O ASP A 49 -17.803 5.978 0.252 1.00 0.00 O ATOM 514 CB ASP A 49 -17.327 8.932 0.986 1.00 0.00 C ATOM 515 CG ASP A 49 -17.203 9.003 2.517 1.00 0.00 C ATOM 516 OD1 ASP A 49 -16.215 8.447 3.052 1.00 0.00 O ATOM 517 OD2 ASP A 49 -18.114 9.600 3.126 1.00 0.00 O ATOM 0 H ASP A 49 -17.061 8.874 -1.454 1.00 0.00 H new ATOM 0 HA ASP A 49 -15.382 8.096 0.686 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -17.131 9.922 0.574 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -18.356 8.679 0.731 1.00 0.00 H new ATOM 519 N ASP A 50 -15.963 5.912 1.576 1.00 0.00 N ATOM 520 CA ASP A 50 -15.787 4.461 1.825 1.00 0.00 C ATOM 521 C ASP A 50 -15.067 3.705 0.691 1.00 0.00 C ATOM 522 O ASP A 50 -15.649 2.946 -0.084 1.00 0.00 O ATOM 523 CB ASP A 50 -17.082 3.740 2.238 1.00 0.00 C ATOM 524 CG ASP A 50 -17.217 3.655 3.759 1.00 0.00 C ATOM 525 OD1 ASP A 50 -16.571 2.747 4.328 1.00 0.00 O ATOM 526 OD2 ASP A 50 -17.889 4.541 4.328 1.00 0.00 O ATOM 0 H ASP A 50 -15.406 6.483 2.211 1.00 0.00 H new ATOM 0 HA ASP A 50 -15.119 4.434 2.686 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -17.941 4.268 1.825 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -17.091 2.736 1.814 1.00 0.00 H new ATOM 528 N SER A 51 -13.762 3.956 0.637 1.00 0.00 N ATOM 529 CA SER A 51 -12.793 3.223 -0.207 1.00 0.00 C ATOM 530 C SER A 51 -12.513 1.808 0.341 1.00 0.00 C ATOM 531 O SER A 51 -12.703 1.547 1.528 1.00 0.00 O ATOM 532 CB SER A 51 -11.503 4.052 -0.294 1.00 0.00 C ATOM 533 OG SER A 51 -10.515 3.415 -1.110 1.00 0.00 O ATOM 0 H SER A 51 -13.326 4.694 1.191 1.00 0.00 H new ATOM 0 HA SER A 51 -13.213 3.087 -1.204 1.00 0.00 H new ATOM 0 HB2 SER A 51 -11.731 5.037 -0.702 1.00 0.00 H new ATOM 0 HB3 SER A 51 -11.102 4.207 0.708 1.00 0.00 H new ATOM 0 HG SER A 51 -9.698 3.276 -0.586 1.00 0.00 H new ATOM 536 N ASP A 52 -11.919 0.961 -0.503 1.00 0.00 N ATOM 537 CA ASP A 52 -11.589 -0.451 -0.178 1.00 0.00 C ATOM 538 C ASP A 52 -10.696 -0.646 1.062 1.00 0.00 C ATOM 539 O ASP A 52 -10.869 -1.605 1.819 1.00 0.00 O ATOM 540 CB ASP A 52 -10.922 -1.153 -1.369 1.00 0.00 C ATOM 541 CG ASP A 52 -11.899 -1.599 -2.463 1.00 0.00 C ATOM 542 OD1 ASP A 52 -12.994 -2.075 -2.105 1.00 0.00 O ATOM 543 OD2 ASP A 52 -11.517 -1.429 -3.640 1.00 0.00 O ATOM 0 H ASP A 52 -11.645 1.229 -1.448 1.00 0.00 H new ATOM 0 HA ASP A 52 -12.556 -0.898 0.053 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -10.186 -0.479 -1.808 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -10.379 -2.025 -1.005 1.00 0.00 H new ATOM 545 N TYR A 53 -9.754 0.280 1.243 1.00 0.00 N ATOM 546 CA TYR A 53 -8.821 0.259 2.383 1.00 0.00 C ATOM 547 C TYR A 53 -9.143 1.302 3.457 1.00 0.00 C ATOM 548 O TYR A 53 -9.061 2.516 3.246 1.00 0.00 O ATOM 549 CB TYR A 53 -7.366 0.404 1.924 1.00 0.00 C ATOM 550 CG TYR A 53 -6.661 -0.930 1.653 1.00 0.00 C ATOM 551 CD1 TYR A 53 -6.890 -2.050 2.447 1.00 0.00 C ATOM 552 CD2 TYR A 53 -5.667 -0.980 0.685 1.00 0.00 C ATOM 553 CE1 TYR A 53 -6.146 -3.206 2.267 1.00 0.00 C ATOM 554 CE2 TYR A 53 -4.924 -2.139 0.500 1.00 0.00 C ATOM 555 CZ TYR A 53 -5.191 -3.267 1.265 1.00 0.00 C ATOM 556 OH TYR A 53 -4.777 -4.487 0.840 1.00 0.00 O ATOM 0 H TYR A 53 -9.612 1.066 0.609 1.00 0.00 H new ATOM 0 HA TYR A 53 -8.952 -0.720 2.844 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -7.341 1.007 1.017 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -6.808 0.950 2.685 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -7.654 -2.018 3.210 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -5.470 -0.113 0.072 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -6.311 -4.059 2.908 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -4.138 -2.163 -0.240 1.00 0.00 H new ATOM 0 HH TYR A 53 -4.417 -4.412 -0.068 1.00 0.00 H new ATOM 563 N ILE A 54 -9.358 0.753 4.645 1.00 0.00 N ATOM 564 CA ILE A 54 -9.660 1.537 5.856 1.00 0.00 C ATOM 565 C ILE A 54 -8.429 1.621 6.771 1.00 0.00 C ATOM 566 O ILE A 54 -7.886 0.619 7.239 1.00 0.00 O ATOM 567 CB ILE A 54 -10.960 1.067 6.553 1.00 0.00 C ATOM 568 CG1 ILE A 54 -11.250 1.804 7.871 1.00 0.00 C ATOM 569 CG2 ILE A 54 -11.040 -0.448 6.760 1.00 0.00 C ATOM 570 CD1 ILE A 54 -11.593 3.284 7.675 1.00 0.00 C ATOM 0 H ILE A 54 -9.330 -0.254 4.807 1.00 0.00 H new ATOM 0 HA ILE A 54 -9.879 2.563 5.561 1.00 0.00 H new ATOM 0 HB ILE A 54 -11.743 1.337 5.844 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -12.078 1.311 8.380 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -10.381 1.723 8.523 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -11.979 -0.699 7.254 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -10.993 -0.950 5.794 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -10.205 -0.775 7.380 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -11.786 3.744 8.644 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -10.757 3.791 7.193 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -12.480 3.372 7.048 1.00 0.00 H new ATOM 572 N CYS A 55 -7.932 2.853 6.824 1.00 0.00 N ATOM 573 CA CYS A 55 -6.760 3.268 7.618 1.00 0.00 C ATOM 574 C CYS A 55 -6.950 2.955 9.105 1.00 0.00 C ATOM 575 O CYS A 55 -7.843 3.504 9.750 1.00 0.00 O ATOM 576 CB CYS A 55 -6.542 4.774 7.460 1.00 0.00 C ATOM 577 SG CYS A 55 -5.504 5.233 6.029 1.00 0.00 S ATOM 0 H CYS A 55 -8.343 3.625 6.299 1.00 0.00 H new ATOM 0 HA CYS A 55 -5.896 2.713 7.251 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -7.512 5.262 7.363 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -6.080 5.160 8.369 1.00 0.00 H new ATOM 579 N LYS A 56 -6.119 2.041 9.594 1.00 0.00 N ATOM 580 CA LYS A 56 -6.176 1.652 11.013 1.00 0.00 C ATOM 581 C LYS A 56 -5.074 2.296 11.867 1.00 0.00 C ATOM 582 O LYS A 56 -5.347 2.796 12.957 1.00 0.00 O ATOM 583 CB LYS A 56 -6.185 0.123 11.154 1.00 0.00 C ATOM 584 CG LYS A 56 -6.680 -0.326 12.537 1.00 0.00 C ATOM 585 CD LYS A 56 -8.069 0.235 12.862 1.00 0.00 C ATOM 586 CE LYS A 56 -8.283 0.389 14.368 1.00 0.00 C ATOM 587 NZ LYS A 56 -9.070 -0.715 14.933 1.00 0.00 N ATOM 0 H LYS A 56 -5.407 1.558 9.046 1.00 0.00 H new ATOM 0 HA LYS A 56 -7.114 2.042 11.408 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -6.824 -0.308 10.383 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -5.179 -0.262 10.987 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -6.711 -1.415 12.574 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -5.971 -0.001 13.298 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -8.192 1.203 12.377 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -8.833 -0.426 12.452 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -7.315 0.436 14.868 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -8.790 1.333 14.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -9.190 -0.568 15.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -10.004 -0.745 14.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -8.575 -1.614 14.768 1.00 0.00 H new ATOM 592 N TYR A 57 -3.856 2.313 11.330 1.00 0.00 N ATOM 593 CA TYR A 57 -2.671 2.902 11.988 1.00 0.00 C ATOM 594 C TYR A 57 -1.505 3.007 11.005 1.00 0.00 C ATOM 595 O TYR A 57 -1.312 2.135 10.165 1.00 0.00 O ATOM 596 CB TYR A 57 -2.218 2.095 13.220 1.00 0.00 C ATOM 597 CG TYR A 57 -2.364 0.570 13.093 1.00 0.00 C ATOM 598 CD1 TYR A 57 -1.441 -0.191 12.388 1.00 0.00 C ATOM 599 CD2 TYR A 57 -3.437 -0.056 13.714 1.00 0.00 C ATOM 600 CE1 TYR A 57 -1.601 -1.568 12.299 1.00 0.00 C ATOM 601 CE2 TYR A 57 -3.604 -1.432 13.621 1.00 0.00 C ATOM 602 CZ TYR A 57 -2.689 -2.187 12.898 1.00 0.00 C ATOM 603 OH TYR A 57 -2.905 -3.509 12.685 1.00 0.00 O ATOM 0 H TYR A 57 -3.652 1.915 10.413 1.00 0.00 H new ATOM 0 HA TYR A 57 -2.968 3.896 12.324 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -1.173 2.328 13.423 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -2.793 2.428 14.084 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -0.599 0.287 11.909 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -4.148 0.532 14.275 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -0.875 -2.160 11.761 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -4.440 -1.912 14.108 1.00 0.00 H new ATOM 0 HH TYR A 57 -3.705 -3.793 13.174 1.00 0.00 H new ATOM 610 N ILE A 58 -0.862 4.163 10.991 1.00 0.00 N ATOM 611 CA ILE A 58 0.390 4.326 10.225 1.00 0.00 C ATOM 612 C ILE A 58 1.601 3.725 10.948 1.00 0.00 C ATOM 613 O ILE A 58 1.572 3.467 12.151 1.00 0.00 O ATOM 614 CB ILE A 58 0.642 5.777 9.782 1.00 0.00 C ATOM 615 CG1 ILE A 58 0.526 6.832 10.894 1.00 0.00 C ATOM 616 CG2 ILE A 58 -0.256 6.074 8.583 1.00 0.00 C ATOM 617 CD1 ILE A 58 1.752 6.914 11.809 1.00 0.00 C ATOM 0 H ILE A 58 -1.170 4.998 11.489 1.00 0.00 H new ATOM 0 HA ILE A 58 0.252 3.751 9.309 1.00 0.00 H new ATOM 0 HB ILE A 58 1.691 5.856 9.495 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.360 7.808 10.438 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.352 6.610 11.500 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.093 7.100 8.252 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.017 5.388 7.770 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.300 5.947 8.870 1.00 0.00 H new ATOM 0 HD11 ILE A 58 1.590 7.681 12.566 1.00 0.00 H new ATOM 0 HD12 ILE A 58 1.908 5.951 12.296 1.00 0.00 H new ATOM 0 HD13 ILE A 58 2.631 7.168 11.217 1.00 0.00 H new ATOM 619 N ASN A 59 2.678 3.588 10.191 1.00 0.00 N ATOM 620 CA ASN A 59 3.950 3.101 10.735 1.00 0.00 C ATOM 621 C ASN A 59 4.979 4.238 10.749 1.00 0.00 C ATOM 622 O ASN A 59 5.461 4.720 9.722 1.00 0.00 O ATOM 623 CB ASN A 59 4.406 1.863 9.963 1.00 0.00 C ATOM 624 CG ASN A 59 5.765 1.353 10.441 1.00 0.00 C ATOM 625 OD1 ASN A 59 6.817 1.812 10.019 1.00 0.00 O ATOM 626 ND2 ASN A 59 5.747 0.388 11.329 1.00 0.00 N ATOM 0 H ASN A 59 2.703 3.806 9.195 1.00 0.00 H new ATOM 0 HA ASN A 59 3.828 2.786 11.771 1.00 0.00 H new ATOM 0 HB2 ASN A 59 3.663 1.073 10.075 1.00 0.00 H new ATOM 0 HB3 ASN A 59 4.462 2.100 8.900 1.00 0.00 H new ATOM 0 HD21 ASN A 59 6.623 0.004 11.683 1.00 0.00 H new ATOM 0 HD22 ASN A 59 4.857 0.022 11.666 1.00 0.00 H new ATOM 630 N THR A 60 5.074 4.777 11.958 1.00 0.00 N ATOM 631 CA THR A 60 5.985 5.881 12.327 1.00 0.00 C ATOM 632 C THR A 60 7.466 5.461 12.284 1.00 0.00 C ATOM 633 O THR A 60 8.010 4.897 13.232 1.00 0.00 O ATOM 634 CB THR A 60 5.559 6.508 13.674 1.00 0.00 C ATOM 635 OG1 THR A 60 6.435 7.585 14.007 1.00 0.00 O ATOM 636 CG2 THR A 60 5.423 5.516 14.841 1.00 0.00 C ATOM 0 H THR A 60 4.506 4.456 12.742 1.00 0.00 H new ATOM 0 HA THR A 60 5.896 6.662 11.572 1.00 0.00 H new ATOM 0 HB THR A 60 4.547 6.883 13.521 1.00 0.00 H new ATOM 0 HG1 THR A 60 6.159 7.979 14.861 1.00 0.00 H new ATOM 0 HG21 THR A 60 5.121 6.052 15.741 1.00 0.00 H new ATOM 0 HG22 THR A 60 4.671 4.766 14.595 1.00 0.00 H new ATOM 0 HG23 THR A 60 6.381 5.026 15.015 1.00 0.00 H new ATOM 639 N GLU A 61 7.956 5.441 11.049 1.00 0.00 N ATOM 640 CA GLU A 61 9.377 5.185 10.746 1.00 0.00 C ATOM 641 C GLU A 61 9.958 6.312 9.865 1.00 0.00 C ATOM 642 O GLU A 61 10.326 7.359 10.392 1.00 0.00 O ATOM 643 CB GLU A 61 9.487 3.761 10.176 1.00 0.00 C ATOM 644 CG GLU A 61 10.934 3.262 10.123 1.00 0.00 C ATOM 645 CD GLU A 61 11.039 1.807 10.582 1.00 0.00 C ATOM 646 OE1 GLU A 61 10.829 0.917 9.730 1.00 0.00 O ATOM 647 OE2 GLU A 61 11.328 1.618 11.785 1.00 0.00 O ATOM 0 H GLU A 61 7.384 5.602 10.220 1.00 0.00 H new ATOM 0 HA GLU A 61 10.002 5.212 11.639 1.00 0.00 H new ATOM 0 HB2 GLU A 61 8.894 3.081 10.787 1.00 0.00 H new ATOM 0 HB3 GLU A 61 9.062 3.741 9.173 1.00 0.00 H new ATOM 0 HG2 GLU A 61 11.315 3.353 9.106 1.00 0.00 H new ATOM 0 HG3 GLU A 61 11.561 3.891 10.755 1.00 0.00 H new ATOM 649 N HIS A 62 9.993 6.115 8.547 1.00 0.00 N ATOM 650 CA HIS A 62 10.433 7.164 7.598 1.00 0.00 C ATOM 651 C HIS A 62 9.385 7.503 6.510 1.00 0.00 C ATOM 652 O HIS A 62 9.742 8.075 5.483 1.00 0.00 O ATOM 653 CB HIS A 62 11.748 6.707 6.945 1.00 0.00 C ATOM 654 CG HIS A 62 12.866 6.366 7.933 1.00 0.00 C ATOM 655 ND1 HIS A 62 13.050 5.184 8.516 1.00 0.00 N ATOM 656 CD2 HIS A 62 13.885 7.154 8.259 1.00 0.00 C ATOM 657 CE1 HIS A 62 14.192 5.244 9.198 1.00 0.00 C ATOM 658 NE2 HIS A 62 14.710 6.459 9.038 1.00 0.00 N ATOM 0 H HIS A 62 9.723 5.238 8.101 1.00 0.00 H new ATOM 0 HA HIS A 62 10.572 8.083 8.167 1.00 0.00 H new ATOM 0 HB2 HIS A 62 11.547 5.831 6.328 1.00 0.00 H new ATOM 0 HB3 HIS A 62 12.099 7.494 6.277 1.00 0.00 H new ATOM 0 HD2 HIS A 62 14.020 8.179 7.946 1.00 0.00 H new ATOM 0 HE1 HIS A 62 14.624 4.444 9.781 1.00 0.00 H new ATOM 0 HE2 HIS A 62 15.584 6.797 9.441 1.00 0.00 H new ATOM 661 N LYS A 63 8.114 7.215 6.827 1.00 0.00 N ATOM 662 CA LYS A 63 6.862 7.281 6.017 1.00 0.00 C ATOM 663 C LYS A 63 6.310 5.882 5.677 1.00 0.00 C ATOM 664 O LYS A 63 6.743 5.232 4.727 1.00 0.00 O ATOM 665 CB LYS A 63 6.881 8.097 4.707 1.00 0.00 C ATOM 666 CG LYS A 63 7.200 9.598 4.779 1.00 0.00 C ATOM 667 CD LYS A 63 6.177 10.495 5.480 1.00 0.00 C ATOM 668 CE LYS A 63 6.448 10.608 6.982 1.00 0.00 C ATOM 669 NZ LYS A 63 5.712 11.745 7.550 1.00 0.00 N ATOM 0 H LYS A 63 7.900 6.889 7.770 1.00 0.00 H new ATOM 0 HA LYS A 63 6.219 7.832 6.703 1.00 0.00 H new ATOM 0 HB2 LYS A 63 7.610 7.636 4.040 1.00 0.00 H new ATOM 0 HB3 LYS A 63 5.904 7.989 4.236 1.00 0.00 H new ATOM 0 HG2 LYS A 63 8.158 9.716 5.286 1.00 0.00 H new ATOM 0 HG3 LYS A 63 7.331 9.965 3.761 1.00 0.00 H new ATOM 0 HD2 LYS A 63 6.199 11.488 5.032 1.00 0.00 H new ATOM 0 HD3 LYS A 63 5.175 10.095 5.321 1.00 0.00 H new ATOM 0 HE2 LYS A 63 6.150 9.687 7.482 1.00 0.00 H new ATOM 0 HE3 LYS A 63 7.516 10.734 7.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 5.592 11.605 8.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 6.244 12.622 7.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 4.778 11.814 7.099 1.00 0.00 H new ATOM 674 N GLN A 64 5.371 5.403 6.493 1.00 0.00 N ATOM 675 CA GLN A 64 4.700 4.104 6.257 1.00 0.00 C ATOM 676 C GLN A 64 3.237 4.073 6.744 1.00 0.00 C ATOM 677 O GLN A 64 2.886 4.781 7.685 1.00 0.00 O ATOM 678 CB GLN A 64 5.565 2.966 6.827 1.00 0.00 C ATOM 679 CG GLN A 64 5.000 1.564 6.554 1.00 0.00 C ATOM 680 CD GLN A 64 5.975 0.382 6.665 1.00 0.00 C ATOM 681 OE1 GLN A 64 5.788 -0.650 6.038 1.00 0.00 O ATOM 682 NE2 GLN A 64 6.974 0.440 7.519 1.00 0.00 N ATOM 0 H GLN A 64 5.050 5.890 7.330 1.00 0.00 H new ATOM 0 HA GLN A 64 4.615 3.954 5.181 1.00 0.00 H new ATOM 0 HB2 GLN A 64 6.566 3.034 6.401 1.00 0.00 H new ATOM 0 HB3 GLN A 64 5.667 3.104 7.903 1.00 0.00 H new ATOM 0 HG2 GLN A 64 4.177 1.390 7.248 1.00 0.00 H new ATOM 0 HG3 GLN A 64 4.576 1.560 5.550 1.00 0.00 H new ATOM 0 HE21 GLN A 64 7.142 1.295 8.050 1.00 0.00 H new ATOM 0 HE22 GLN A 64 7.580 -0.370 7.651 1.00 0.00 H new ATOM 686 N LEU A 65 2.395 3.327 6.026 1.00 0.00 N ATOM 687 CA LEU A 65 0.972 3.127 6.387 1.00 0.00 C ATOM 688 C LEU A 65 0.582 1.653 6.610 1.00 0.00 C ATOM 689 O LEU A 65 1.199 0.741 6.055 1.00 0.00 O ATOM 690 CB LEU A 65 0.064 3.810 5.344 1.00 0.00 C ATOM 691 CG LEU A 65 -0.462 3.041 4.116 1.00 0.00 C ATOM 692 CD1 LEU A 65 -1.171 4.011 3.168 1.00 0.00 C ATOM 693 CD2 LEU A 65 0.589 2.250 3.339 1.00 0.00 C ATOM 0 H LEU A 65 2.672 2.839 5.174 1.00 0.00 H new ATOM 0 HA LEU A 65 0.824 3.601 7.357 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.807 4.188 5.879 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.608 4.676 4.968 1.00 0.00 H new ATOM 0 HG LEU A 65 -1.148 2.295 4.518 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -1.542 3.466 2.300 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -2.007 4.481 3.686 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.469 4.779 2.841 1.00 0.00 H new ATOM 0 HD21 LEU A 65 0.116 1.747 2.496 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.357 2.930 2.971 1.00 0.00 H new ATOM 0 HD23 LEU A 65 1.045 1.508 3.995 1.00 0.00 H new ATOM 695 N THR A 66 -0.415 1.468 7.474 1.00 0.00 N ATOM 696 CA THR A 66 -1.014 0.140 7.725 1.00 0.00 C ATOM 697 C THR A 66 -2.552 0.225 7.765 1.00 0.00 C ATOM 698 O THR A 66 -3.160 0.958 8.551 1.00 0.00 O ATOM 699 CB THR A 66 -0.491 -0.474 9.036 1.00 0.00 C ATOM 700 OG1 THR A 66 0.885 -0.133 9.245 1.00 0.00 O ATOM 701 CG2 THR A 66 -0.628 -1.996 9.005 1.00 0.00 C ATOM 0 H THR A 66 -0.834 2.221 8.020 1.00 0.00 H new ATOM 0 HA THR A 66 -0.719 -0.507 6.899 1.00 0.00 H new ATOM 0 HB THR A 66 -1.088 -0.070 9.853 1.00 0.00 H new ATOM 0 HG1 THR A 66 1.341 -0.875 9.694 1.00 0.00 H new ATOM 0 HG21 THR A 66 -0.254 -2.414 9.939 1.00 0.00 H new ATOM 0 HG22 THR A 66 -1.677 -2.264 8.882 1.00 0.00 H new ATOM 0 HG23 THR A 66 -0.051 -2.396 8.171 1.00 0.00 H new ATOM 704 N LEU A 67 -3.160 -0.483 6.818 1.00 0.00 N ATOM 705 CA LEU A 67 -4.632 -0.553 6.665 1.00 0.00 C ATOM 706 C LEU A 67 -5.176 -1.949 6.368 1.00 0.00 C ATOM 707 O LEU A 67 -4.554 -2.728 5.647 1.00 0.00 O ATOM 708 CB LEU A 67 -5.263 0.412 5.639 1.00 0.00 C ATOM 709 CG LEU A 67 -4.475 0.997 4.462 1.00 0.00 C ATOM 710 CD1 LEU A 67 -3.598 2.121 4.997 1.00 0.00 C ATOM 711 CD2 LEU A 67 -3.677 -0.033 3.654 1.00 0.00 C ATOM 0 H LEU A 67 -2.653 -1.032 6.124 1.00 0.00 H new ATOM 0 HA LEU A 67 -4.934 -0.234 7.663 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -6.122 -0.106 5.212 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -5.651 1.259 6.206 1.00 0.00 H new ATOM 0 HG LEU A 67 -5.189 1.384 3.735 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.025 2.556 4.178 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.226 2.889 5.449 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.915 1.724 5.747 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.151 0.470 2.842 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.954 -0.525 4.305 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -4.358 -0.777 3.240 1.00 0.00 H new ATOM 713 N TYR A 68 -6.436 -2.123 6.748 1.00 0.00 N ATOM 714 CA TYR A 68 -7.153 -3.394 6.575 1.00 0.00 C ATOM 715 C TYR A 68 -8.254 -3.296 5.516 1.00 0.00 C ATOM 716 O TYR A 68 -8.874 -2.249 5.321 1.00 0.00 O ATOM 717 CB TYR A 68 -7.687 -3.948 7.905 1.00 0.00 C ATOM 718 CG TYR A 68 -8.674 -3.045 8.646 1.00 0.00 C ATOM 719 CD1 TYR A 68 -8.282 -1.790 9.096 1.00 0.00 C ATOM 720 CD2 TYR A 68 -9.963 -3.497 8.887 1.00 0.00 C ATOM 721 CE1 TYR A 68 -9.186 -0.974 9.753 1.00 0.00 C ATOM 722 CE2 TYR A 68 -10.861 -2.695 9.578 1.00 0.00 C ATOM 723 CZ TYR A 68 -10.469 -1.432 10.009 1.00 0.00 C ATOM 724 OH TYR A 68 -11.328 -0.638 10.693 1.00 0.00 O ATOM 0 H TYR A 68 -6.995 -1.391 7.186 1.00 0.00 H new ATOM 0 HA TYR A 68 -6.421 -4.113 6.206 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -8.172 -4.905 7.711 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -6.840 -4.147 8.562 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -7.270 -1.451 8.933 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -10.268 -4.472 8.537 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -8.893 0.017 10.066 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -11.861 -3.051 9.780 1.00 0.00 H new ATOM 0 HH TYR A 68 -12.188 -1.097 10.793 1.00 0.00 H new ATOM 731 N ASN A 69 -8.239 -4.318 4.671 1.00 0.00 N ATOM 732 CA ASN A 69 -9.208 -4.481 3.577 1.00 0.00 C ATOM 733 C ASN A 69 -10.580 -4.898 4.112 1.00 0.00 C ATOM 734 O ASN A 69 -10.772 -6.016 4.599 1.00 0.00 O ATOM 735 CB ASN A 69 -8.704 -5.494 2.546 1.00 0.00 C ATOM 736 CG ASN A 69 -9.352 -5.201 1.193 1.00 0.00 C ATOM 737 OD1 ASN A 69 -10.567 -5.119 1.060 1.00 0.00 O ATOM 738 ND2 ASN A 69 -8.530 -4.896 0.216 1.00 0.00 N ATOM 0 H ASN A 69 -7.550 -5.069 4.720 1.00 0.00 H new ATOM 0 HA ASN A 69 -9.316 -3.515 3.084 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -7.619 -5.436 2.463 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -8.946 -6.507 2.866 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -8.899 -4.582 -0.681 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -7.522 -4.973 0.354 1.00 0.00 H new ATOM 742 N LYS A 70 -11.511 -3.965 3.954 1.00 0.00 N ATOM 743 CA LYS A 70 -12.898 -4.138 4.427 1.00 0.00 C ATOM 744 C LYS A 70 -13.818 -4.806 3.380 1.00 0.00 C ATOM 745 O LYS A 70 -15.040 -4.740 3.475 1.00 0.00 O ATOM 746 CB LYS A 70 -13.398 -2.751 4.856 1.00 0.00 C ATOM 747 CG LYS A 70 -14.508 -2.746 5.918 1.00 0.00 C ATOM 748 CD LYS A 70 -14.061 -3.125 7.339 1.00 0.00 C ATOM 749 CE LYS A 70 -14.142 -4.627 7.626 1.00 0.00 C ATOM 750 NZ LYS A 70 -14.794 -4.867 8.922 1.00 0.00 N ATOM 0 H LYS A 70 -11.338 -3.069 3.499 1.00 0.00 H new ATOM 0 HA LYS A 70 -12.920 -4.828 5.270 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -12.551 -2.181 5.238 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -13.762 -2.226 3.973 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -14.954 -1.752 5.948 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -15.291 -3.437 5.605 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -13.035 -2.789 7.490 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -14.680 -2.592 8.060 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -14.700 -5.126 6.833 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -13.141 -5.057 7.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -14.842 -5.890 9.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -14.246 -4.407 9.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -15.757 -4.474 8.905 1.00 0.00 H new ATOM 755 N ASN A 71 -13.215 -5.395 2.345 1.00 0.00 N ATOM 756 CA ASN A 71 -13.931 -6.217 1.343 1.00 0.00 C ATOM 757 C ASN A 71 -13.609 -7.725 1.388 1.00 0.00 C ATOM 758 O ASN A 71 -14.218 -8.516 0.669 1.00 0.00 O ATOM 759 CB ASN A 71 -13.672 -5.672 -0.069 1.00 0.00 C ATOM 760 CG ASN A 71 -14.474 -4.415 -0.433 1.00 0.00 C ATOM 761 OD1 ASN A 71 -15.080 -4.331 -1.491 1.00 0.00 O ATOM 762 ND2 ASN A 71 -14.598 -3.455 0.457 1.00 0.00 N ATOM 0 H ASN A 71 -12.213 -5.320 2.170 1.00 0.00 H new ATOM 0 HA ASN A 71 -14.986 -6.134 1.605 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -12.610 -5.449 -0.167 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -13.902 -6.454 -0.793 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -15.195 -2.652 0.261 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -14.097 -3.514 1.344 1.00 0.00 H new ATOM 766 N ASN A 72 -12.667 -8.113 2.247 1.00 0.00 N ATOM 767 CA ASN A 72 -12.294 -9.529 2.434 1.00 0.00 C ATOM 768 C ASN A 72 -12.695 -10.083 3.814 1.00 0.00 C ATOM 769 O ASN A 72 -13.783 -10.632 3.958 1.00 0.00 O ATOM 770 CB ASN A 72 -10.804 -9.738 2.142 1.00 0.00 C ATOM 771 CG ASN A 72 -10.449 -9.784 0.655 1.00 0.00 C ATOM 772 OD1 ASN A 72 -9.704 -8.966 0.139 1.00 0.00 O ATOM 773 ND2 ASN A 72 -10.868 -10.838 -0.008 1.00 0.00 N ATOM 0 H ASN A 72 -12.140 -7.466 2.833 1.00 0.00 H new ATOM 0 HA ASN A 72 -12.868 -10.108 1.710 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -10.238 -8.934 2.613 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -10.483 -10.669 2.608 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -10.571 -10.985 -0.973 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -11.490 -11.509 0.442 1.00 0.00 H new ATOM 777 N SER A 73 -11.780 -10.003 4.786 1.00 0.00 N ATOM 778 CA SER A 73 -11.995 -10.404 6.193 1.00 0.00 C ATOM 779 C SER A 73 -10.793 -9.943 7.026 1.00 0.00 C ATOM 780 O SER A 73 -9.761 -10.610 7.112 1.00 0.00 O ATOM 781 CB SER A 73 -12.184 -11.924 6.329 1.00 0.00 C ATOM 782 OG SER A 73 -12.587 -12.258 7.661 1.00 0.00 O ATOM 0 H SER A 73 -10.839 -9.648 4.617 1.00 0.00 H new ATOM 0 HA SER A 73 -12.908 -9.932 6.555 1.00 0.00 H new ATOM 0 HB2 SER A 73 -12.934 -12.269 5.618 1.00 0.00 H new ATOM 0 HB3 SER A 73 -11.254 -12.436 6.084 1.00 0.00 H new ATOM 0 HG SER A 73 -12.705 -13.228 7.733 1.00 0.00 H new ATOM 785 N SER A 74 -10.857 -8.654 7.358 1.00 0.00 N ATOM 786 CA SER A 74 -9.870 -7.937 8.202 1.00 0.00 C ATOM 787 C SER A 74 -8.391 -8.121 7.795 1.00 0.00 C ATOM 788 O SER A 74 -7.534 -8.467 8.611 1.00 0.00 O ATOM 789 CB SER A 74 -10.107 -8.320 9.668 1.00 0.00 C ATOM 790 OG SER A 74 -11.416 -7.916 10.082 1.00 0.00 O ATOM 0 H SER A 74 -11.617 -8.051 7.043 1.00 0.00 H new ATOM 0 HA SER A 74 -10.042 -6.872 8.048 1.00 0.00 H new ATOM 0 HB2 SER A 74 -9.995 -9.397 9.792 1.00 0.00 H new ATOM 0 HB3 SER A 74 -9.356 -7.847 10.301 1.00 0.00 H new ATOM 0 HG SER A 74 -11.555 -8.168 11.019 1.00 0.00 H new ATOM 793 N ILE A 75 -8.093 -7.731 6.554 1.00 0.00 N ATOM 794 CA ILE A 75 -6.739 -7.886 5.971 1.00 0.00 C ATOM 795 C ILE A 75 -5.931 -6.583 6.108 1.00 0.00 C ATOM 796 O ILE A 75 -5.931 -5.725 5.225 1.00 0.00 O ATOM 797 CB ILE A 75 -6.791 -8.439 4.528 1.00 0.00 C ATOM 798 CG1 ILE A 75 -7.440 -9.837 4.541 1.00 0.00 C ATOM 799 CG2 ILE A 75 -5.395 -8.468 3.875 1.00 0.00 C ATOM 800 CD1 ILE A 75 -7.556 -10.566 3.195 1.00 0.00 C ATOM 0 H ILE A 75 -8.769 -7.302 5.922 1.00 0.00 H new ATOM 0 HA ILE A 75 -6.202 -8.641 6.545 1.00 0.00 H new ATOM 0 HB ILE A 75 -7.400 -7.771 3.919 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -6.868 -10.469 5.220 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -8.441 -9.741 4.961 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -5.475 -8.863 2.862 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -4.989 -7.457 3.839 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -4.732 -9.105 4.461 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -8.030 -11.536 3.346 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -8.159 -9.971 2.510 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -6.562 -10.710 2.772 1.00 0.00 H new ATOM 802 N VAL A 76 -5.196 -6.522 7.209 1.00 0.00 N ATOM 803 CA VAL A 76 -4.344 -5.376 7.574 1.00 0.00 C ATOM 804 C VAL A 76 -2.933 -5.533 6.981 1.00 0.00 C ATOM 805 O VAL A 76 -2.239 -6.520 7.213 1.00 0.00 O ATOM 806 CB VAL A 76 -4.405 -5.128 9.097 1.00 0.00 C ATOM 807 CG1 VAL A 76 -3.769 -6.222 9.965 1.00 0.00 C ATOM 808 CG2 VAL A 76 -3.879 -3.732 9.442 1.00 0.00 C ATOM 0 H VAL A 76 -5.168 -7.278 7.894 1.00 0.00 H new ATOM 0 HA VAL A 76 -4.726 -4.460 7.124 1.00 0.00 H new ATOM 0 HB VAL A 76 -5.463 -5.179 9.356 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -3.864 -5.953 11.017 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -4.276 -7.170 9.785 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -2.714 -6.321 9.710 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -3.932 -3.580 10.520 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -2.844 -3.642 9.113 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -4.487 -2.980 8.939 1.00 0.00 H new ATOM 810 N ILE A 77 -2.658 -4.652 6.028 1.00 0.00 N ATOM 811 CA ILE A 77 -1.382 -4.647 5.287 1.00 0.00 C ATOM 812 C ILE A 77 -0.503 -3.448 5.669 1.00 0.00 C ATOM 813 O ILE A 77 -0.984 -2.320 5.801 1.00 0.00 O ATOM 814 CB ILE A 77 -1.561 -4.718 3.753 1.00 0.00 C ATOM 815 CG1 ILE A 77 -2.202 -3.465 3.144 1.00 0.00 C ATOM 816 CG2 ILE A 77 -2.354 -5.972 3.361 1.00 0.00 C ATOM 817 CD1 ILE A 77 -1.623 -3.157 1.758 1.00 0.00 C ATOM 0 H ILE A 77 -3.305 -3.918 5.740 1.00 0.00 H new ATOM 0 HA ILE A 77 -0.872 -5.562 5.589 1.00 0.00 H new ATOM 0 HB ILE A 77 -0.556 -4.774 3.336 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -3.280 -3.607 3.066 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -2.040 -2.614 3.805 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -2.470 -6.005 2.278 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -1.819 -6.860 3.696 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -3.337 -5.942 3.831 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -2.099 -2.263 1.355 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -0.549 -2.990 1.841 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -1.809 -3.999 1.091 1.00 0.00 H new ATOM 819 N GLU A 78 0.786 -3.743 5.776 1.00 0.00 N ATOM 820 CA GLU A 78 1.834 -2.757 6.101 1.00 0.00 C ATOM 821 C GLU A 78 2.845 -2.703 4.950 1.00 0.00 C ATOM 822 O GLU A 78 3.445 -3.719 4.594 1.00 0.00 O ATOM 823 CB GLU A 78 2.505 -3.128 7.429 1.00 0.00 C ATOM 824 CG GLU A 78 3.338 -1.971 7.995 1.00 0.00 C ATOM 825 CD GLU A 78 3.667 -2.165 9.479 1.00 0.00 C ATOM 826 OE1 GLU A 78 4.272 -3.206 9.817 1.00 0.00 O ATOM 827 OE2 GLU A 78 3.315 -1.260 10.272 1.00 0.00 O ATOM 0 H GLU A 78 1.149 -4.686 5.639 1.00 0.00 H new ATOM 0 HA GLU A 78 1.396 -1.766 6.220 1.00 0.00 H new ATOM 0 HB2 GLU A 78 1.742 -3.414 8.153 1.00 0.00 H new ATOM 0 HB3 GLU A 78 3.146 -3.997 7.281 1.00 0.00 H new ATOM 0 HG2 GLU A 78 4.265 -1.882 7.428 1.00 0.00 H new ATOM 0 HG3 GLU A 78 2.793 -1.036 7.865 1.00 0.00 H new ATOM 829 N ILE A 79 2.756 -1.594 4.224 1.00 0.00 N ATOM 830 CA ILE A 79 3.663 -1.313 3.092 1.00 0.00 C ATOM 831 C ILE A 79 4.374 0.031 3.303 1.00 0.00 C ATOM 832 O ILE A 79 3.778 0.938 3.876 1.00 0.00 O ATOM 833 CB ILE A 79 2.987 -1.370 1.700 1.00 0.00 C ATOM 834 CG1 ILE A 79 1.904 -0.307 1.473 1.00 0.00 C ATOM 835 CG2 ILE A 79 2.411 -2.767 1.467 1.00 0.00 C ATOM 836 CD1 ILE A 79 1.532 -0.094 -0.001 1.00 0.00 C ATOM 0 H ILE A 79 2.064 -0.864 4.393 1.00 0.00 H new ATOM 0 HA ILE A 79 4.395 -2.121 3.086 1.00 0.00 H new ATOM 0 HB ILE A 79 3.770 -1.147 0.975 1.00 0.00 H new ATOM 0 HG12 ILE A 79 1.008 -0.593 2.025 1.00 0.00 H new ATOM 0 HG13 ILE A 79 2.247 0.640 1.890 1.00 0.00 H new ATOM 0 HG21 ILE A 79 1.936 -2.806 0.487 1.00 0.00 H new ATOM 0 HG22 ILE A 79 3.214 -3.503 1.510 1.00 0.00 H new ATOM 0 HG23 ILE A 79 1.673 -2.989 2.237 1.00 0.00 H new ATOM 0 HD11 ILE A 79 0.761 0.673 -0.074 1.00 0.00 H new ATOM 0 HD12 ILE A 79 2.414 0.224 -0.557 1.00 0.00 H new ATOM 0 HD13 ILE A 79 1.157 -1.028 -0.420 1.00 0.00 H new ATOM 838 N PHE A 80 5.640 0.096 2.900 1.00 0.00 N ATOM 839 CA PHE A 80 6.464 1.323 2.968 1.00 0.00 C ATOM 840 C PHE A 80 6.902 1.724 1.551 1.00 0.00 C ATOM 841 O PHE A 80 7.575 0.947 0.876 1.00 0.00 O ATOM 842 CB PHE A 80 7.706 1.089 3.852 1.00 0.00 C ATOM 843 CG PHE A 80 8.527 2.350 4.177 1.00 0.00 C ATOM 844 CD1 PHE A 80 9.025 3.136 3.152 1.00 0.00 C ATOM 845 CD2 PHE A 80 8.687 2.788 5.487 1.00 0.00 C ATOM 846 CE1 PHE A 80 9.577 4.382 3.399 1.00 0.00 C ATOM 847 CE2 PHE A 80 9.298 4.009 5.747 1.00 0.00 C ATOM 848 CZ PHE A 80 9.737 4.809 4.700 1.00 0.00 C ATOM 0 H PHE A 80 6.138 -0.705 2.511 1.00 0.00 H new ATOM 0 HA PHE A 80 5.870 2.124 3.408 1.00 0.00 H new ATOM 0 HB2 PHE A 80 7.385 0.633 4.788 1.00 0.00 H new ATOM 0 HB3 PHE A 80 8.356 0.370 3.354 1.00 0.00 H new ATOM 0 HD1 PHE A 80 8.982 2.769 2.137 1.00 0.00 H new ATOM 0 HD2 PHE A 80 8.335 2.177 6.305 1.00 0.00 H new ATOM 0 HE1 PHE A 80 9.880 5.015 2.578 1.00 0.00 H new ATOM 0 HE2 PHE A 80 9.432 4.337 6.767 1.00 0.00 H new ATOM 0 HZ PHE A 80 10.202 5.762 4.904 1.00 0.00 H new ATOM 855 N ILE A 81 6.772 3.022 1.284 1.00 0.00 N ATOM 856 CA ILE A 81 7.116 3.651 -0.008 1.00 0.00 C ATOM 857 C ILE A 81 8.196 4.731 0.229 1.00 0.00 C ATOM 858 O ILE A 81 7.875 5.754 0.839 1.00 0.00 O ATOM 859 CB ILE A 81 5.862 4.249 -0.678 1.00 0.00 C ATOM 860 CG1 ILE A 81 4.796 3.191 -0.962 1.00 0.00 C ATOM 861 CG2 ILE A 81 6.201 4.920 -2.007 1.00 0.00 C ATOM 862 CD1 ILE A 81 3.806 2.967 0.183 1.00 0.00 C ATOM 0 H ILE A 81 6.417 3.688 1.970 1.00 0.00 H new ATOM 0 HA ILE A 81 7.513 2.896 -0.686 1.00 0.00 H new ATOM 0 HB ILE A 81 5.476 4.980 0.032 1.00 0.00 H new ATOM 0 HG12 ILE A 81 4.241 3.482 -1.854 1.00 0.00 H new ATOM 0 HG13 ILE A 81 5.290 2.246 -1.188 1.00 0.00 H new ATOM 0 HG21 ILE A 81 5.293 5.330 -2.450 1.00 0.00 H new ATOM 0 HG22 ILE A 81 6.916 5.724 -1.836 1.00 0.00 H new ATOM 0 HG23 ILE A 81 6.636 4.186 -2.685 1.00 0.00 H new ATOM 0 HD11 ILE A 81 3.085 2.201 -0.104 1.00 0.00 H new ATOM 0 HD12 ILE A 81 4.346 2.643 1.073 1.00 0.00 H new ATOM 0 HD13 ILE A 81 3.280 3.898 0.397 1.00 0.00 H new ATOM 864 N PRO A 82 9.464 4.425 -0.096 1.00 0.00 N ATOM 865 CA PRO A 82 10.574 5.379 0.065 1.00 0.00 C ATOM 866 C PRO A 82 10.931 6.107 -1.244 1.00 0.00 C ATOM 867 O PRO A 82 10.348 7.141 -1.548 1.00 0.00 O ATOM 868 CB PRO A 82 11.702 4.525 0.659 1.00 0.00 C ATOM 869 CG PRO A 82 11.504 3.152 0.012 1.00 0.00 C ATOM 870 CD PRO A 82 9.996 3.058 -0.236 1.00 0.00 C ATOM 0 HA PRO A 82 10.330 6.216 0.720 1.00 0.00 H new ATOM 0 HB2 PRO A 82 12.683 4.939 0.425 1.00 0.00 H new ATOM 0 HB3 PRO A 82 11.631 4.469 1.745 1.00 0.00 H new ATOM 0 HG2 PRO A 82 12.065 3.067 -0.919 1.00 0.00 H new ATOM 0 HG3 PRO A 82 11.849 2.352 0.666 1.00 0.00 H new ATOM 0 HD2 PRO A 82 9.790 2.661 -1.230 1.00 0.00 H new ATOM 0 HD3 PRO A 82 9.526 2.383 0.480 1.00 0.00 H new ATOM 871 N ASN A 83 11.871 5.548 -2.001 1.00 0.00 N ATOM 872 CA ASN A 83 12.450 6.042 -3.268 1.00 0.00 C ATOM 873 C ASN A 83 13.528 5.022 -3.693 1.00 0.00 C ATOM 874 O ASN A 83 13.469 3.872 -3.255 1.00 0.00 O ATOM 875 CB ASN A 83 13.037 7.459 -3.097 1.00 0.00 C ATOM 876 CG ASN A 83 14.139 7.582 -2.034 1.00 0.00 C ATOM 877 OD1 ASN A 83 14.741 6.627 -1.570 1.00 0.00 O ATOM 878 ND2 ASN A 83 14.457 8.799 -1.662 1.00 0.00 N ATOM 0 H ASN A 83 12.291 4.659 -1.728 1.00 0.00 H new ATOM 0 HA ASN A 83 11.685 6.128 -4.040 1.00 0.00 H new ATOM 0 HB2 ASN A 83 13.439 7.787 -4.055 1.00 0.00 H new ATOM 0 HB3 ASN A 83 12.228 8.143 -2.840 1.00 0.00 H new ATOM 0 HD21 ASN A 83 15.206 8.946 -0.986 1.00 0.00 H new ATOM 0 HD22 ASN A 83 13.955 9.598 -2.049 1.00 0.00 H new ATOM 882 N ASP A 84 14.463 5.437 -4.557 1.00 0.00 N ATOM 883 CA ASP A 84 15.632 4.638 -4.998 1.00 0.00 C ATOM 884 C ASP A 84 15.350 3.188 -5.427 1.00 0.00 C ATOM 885 O ASP A 84 16.276 2.390 -5.569 1.00 0.00 O ATOM 886 CB ASP A 84 16.738 4.681 -3.935 1.00 0.00 C ATOM 887 CG ASP A 84 17.708 5.824 -4.229 1.00 0.00 C ATOM 888 OD1 ASP A 84 17.412 6.954 -3.780 1.00 0.00 O ATOM 889 OD2 ASP A 84 18.685 5.563 -4.964 1.00 0.00 O ATOM 0 H ASP A 84 14.434 6.362 -4.985 1.00 0.00 H new ATOM 0 HA ASP A 84 15.957 5.124 -5.918 1.00 0.00 H new ATOM 0 HB2 ASP A 84 16.298 4.813 -2.947 1.00 0.00 H new ATOM 0 HB3 ASP A 84 17.275 3.733 -3.920 1.00 0.00 H new ATOM 891 N ASN A 85 14.126 3.001 -5.916 1.00 0.00 N ATOM 892 CA ASN A 85 13.540 1.702 -6.298 1.00 0.00 C ATOM 893 C ASN A 85 13.601 0.717 -5.118 1.00 0.00 C ATOM 894 O ASN A 85 14.603 0.035 -4.926 1.00 0.00 O ATOM 895 CB ASN A 85 14.251 1.154 -7.552 1.00 0.00 C ATOM 896 CG ASN A 85 14.610 2.253 -8.563 1.00 0.00 C ATOM 897 OD1 ASN A 85 13.868 3.193 -8.827 1.00 0.00 O ATOM 898 ND2 ASN A 85 15.885 2.345 -8.854 1.00 0.00 N ATOM 0 H ASN A 85 13.482 3.778 -6.066 1.00 0.00 H new ATOM 0 HA ASN A 85 12.488 1.837 -6.548 1.00 0.00 H new ATOM 0 HB2 ASN A 85 15.160 0.634 -7.250 1.00 0.00 H new ATOM 0 HB3 ASN A 85 13.608 0.418 -8.036 1.00 0.00 H new ATOM 0 HD21 ASN A 85 16.248 3.191 -9.294 1.00 0.00 H new ATOM 0 HD22 ASN A 85 16.514 1.571 -8.640 1.00 0.00 H new ATOM 902 N LYS A 86 12.581 0.807 -4.258 1.00 0.00 N ATOM 903 CA LYS A 86 12.393 -0.040 -3.052 1.00 0.00 C ATOM 904 C LYS A 86 10.981 0.128 -2.466 1.00 0.00 C ATOM 905 O LYS A 86 10.451 1.231 -2.502 1.00 0.00 O ATOM 906 CB LYS A 86 13.385 0.406 -1.974 1.00 0.00 C ATOM 907 CG LYS A 86 14.608 -0.503 -1.859 1.00 0.00 C ATOM 908 CD LYS A 86 15.803 0.296 -1.335 1.00 0.00 C ATOM 909 CE LYS A 86 16.872 -0.616 -0.730 1.00 0.00 C ATOM 910 NZ LYS A 86 16.424 -1.124 0.575 1.00 0.00 N ATOM 0 H LYS A 86 11.833 1.491 -4.377 1.00 0.00 H new ATOM 0 HA LYS A 86 12.547 -1.079 -3.344 1.00 0.00 H new ATOM 0 HB2 LYS A 86 13.716 1.421 -2.193 1.00 0.00 H new ATOM 0 HB3 LYS A 86 12.874 0.438 -1.012 1.00 0.00 H new ATOM 0 HG2 LYS A 86 14.392 -1.334 -1.187 1.00 0.00 H new ATOM 0 HG3 LYS A 86 14.845 -0.933 -2.832 1.00 0.00 H new ATOM 0 HD2 LYS A 86 16.238 0.876 -2.149 1.00 0.00 H new ATOM 0 HD3 LYS A 86 15.463 1.007 -0.582 1.00 0.00 H new ATOM 0 HE2 LYS A 86 17.074 -1.449 -1.403 1.00 0.00 H new ATOM 0 HE3 LYS A 86 17.806 -0.067 -0.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 17.238 -1.510 1.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 15.999 -0.348 1.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 15.718 -1.874 0.432 1.00 0.00 H new ATOM 915 N ILE A 87 10.355 -0.982 -2.076 1.00 0.00 N ATOM 916 CA ILE A 87 9.071 -1.036 -1.329 1.00 0.00 C ATOM 917 C ILE A 87 8.916 -2.404 -0.629 1.00 0.00 C ATOM 918 O ILE A 87 9.343 -3.440 -1.140 1.00 0.00 O ATOM 919 CB ILE A 87 7.844 -0.698 -2.219 1.00 0.00 C ATOM 920 CG1 ILE A 87 6.524 -0.676 -1.427 1.00 0.00 C ATOM 921 CG2 ILE A 87 7.736 -1.649 -3.416 1.00 0.00 C ATOM 922 CD1 ILE A 87 5.300 -0.125 -2.168 1.00 0.00 C ATOM 0 H ILE A 87 10.731 -1.910 -2.272 1.00 0.00 H new ATOM 0 HA ILE A 87 9.104 -0.260 -0.564 1.00 0.00 H new ATOM 0 HB ILE A 87 8.013 0.311 -2.594 1.00 0.00 H new ATOM 0 HG12 ILE A 87 6.301 -1.693 -1.105 1.00 0.00 H new ATOM 0 HG13 ILE A 87 6.675 -0.082 -0.526 1.00 0.00 H new ATOM 0 HG21 ILE A 87 6.866 -1.382 -4.016 1.00 0.00 H new ATOM 0 HG22 ILE A 87 8.636 -1.569 -4.026 1.00 0.00 H new ATOM 0 HG23 ILE A 87 7.630 -2.673 -3.059 1.00 0.00 H new ATOM 0 HD11 ILE A 87 4.431 -0.159 -1.511 1.00 0.00 H new ATOM 0 HD12 ILE A 87 5.489 0.906 -2.466 1.00 0.00 H new ATOM 0 HD13 ILE A 87 5.109 -0.730 -3.054 1.00 0.00 H new ATOM 924 N LEU A 88 8.269 -2.355 0.531 1.00 0.00 N ATOM 925 CA LEU A 88 7.990 -3.530 1.382 1.00 0.00 C ATOM 926 C LEU A 88 6.474 -3.768 1.486 1.00 0.00 C ATOM 927 O LEU A 88 5.723 -2.804 1.609 1.00 0.00 O ATOM 928 CB LEU A 88 8.541 -3.317 2.801 1.00 0.00 C ATOM 929 CG LEU A 88 10.054 -3.068 2.887 1.00 0.00 C ATOM 930 CD1 LEU A 88 10.405 -1.583 2.750 1.00 0.00 C ATOM 931 CD2 LEU A 88 10.599 -3.630 4.201 1.00 0.00 C ATOM 0 H LEU A 88 7.912 -1.484 0.923 1.00 0.00 H new ATOM 0 HA LEU A 88 8.475 -4.392 0.923 1.00 0.00 H new ATOM 0 HB2 LEU A 88 8.024 -2.469 3.250 1.00 0.00 H new ATOM 0 HB3 LEU A 88 8.299 -4.193 3.402 1.00 0.00 H new ATOM 0 HG LEU A 88 10.523 -3.584 2.049 1.00 0.00 H new ATOM 0 HD11 LEU A 88 11.486 -1.457 2.817 1.00 0.00 H new ATOM 0 HD12 LEU A 88 10.056 -1.214 1.786 1.00 0.00 H new ATOM 0 HD13 LEU A 88 9.924 -1.020 3.550 1.00 0.00 H new ATOM 0 HD21 LEU A 88 11.673 -3.450 4.256 1.00 0.00 H new ATOM 0 HD22 LEU A 88 10.105 -3.139 5.039 1.00 0.00 H new ATOM 0 HD23 LEU A 88 10.408 -4.702 4.245 1.00 0.00 H new ATOM 933 N LEU A 89 6.064 -5.028 1.328 1.00 0.00 N ATOM 934 CA LEU A 89 4.662 -5.494 1.455 1.00 0.00 C ATOM 935 C LEU A 89 4.492 -6.615 2.488 1.00 0.00 C ATOM 936 O LEU A 89 5.188 -7.627 2.448 1.00 0.00 O ATOM 937 CB LEU A 89 4.138 -5.900 0.059 1.00 0.00 C ATOM 938 CG LEU A 89 2.811 -6.651 -0.183 1.00 0.00 C ATOM 939 CD1 LEU A 89 2.976 -8.160 0.012 1.00 0.00 C ATOM 940 CD2 LEU A 89 1.621 -6.128 0.625 1.00 0.00 C ATOM 0 H LEU A 89 6.711 -5.784 1.101 1.00 0.00 H new ATOM 0 HA LEU A 89 4.061 -4.670 1.838 1.00 0.00 H new ATOM 0 HB2 LEU A 89 4.077 -4.980 -0.522 1.00 0.00 H new ATOM 0 HB3 LEU A 89 4.920 -6.511 -0.393 1.00 0.00 H new ATOM 0 HG LEU A 89 2.567 -6.448 -1.226 1.00 0.00 H new ATOM 0 HD11 LEU A 89 2.022 -8.656 -0.166 1.00 0.00 H new ATOM 0 HD12 LEU A 89 3.719 -8.539 -0.690 1.00 0.00 H new ATOM 0 HD13 LEU A 89 3.305 -8.361 1.032 1.00 0.00 H new ATOM 0 HD21 LEU A 89 0.734 -6.716 0.389 1.00 0.00 H new ATOM 0 HD22 LEU A 89 1.839 -6.211 1.690 1.00 0.00 H new ATOM 0 HD23 LEU A 89 1.441 -5.083 0.372 1.00 0.00 H new ATOM 942 N THR A 90 3.596 -6.362 3.439 1.00 0.00 N ATOM 943 CA THR A 90 3.133 -7.354 4.438 1.00 0.00 C ATOM 944 C THR A 90 1.594 -7.367 4.480 1.00 0.00 C ATOM 945 O THR A 90 0.976 -6.309 4.448 1.00 0.00 O ATOM 946 CB THR A 90 3.741 -7.008 5.810 1.00 0.00 C ATOM 947 OG1 THR A 90 5.163 -7.069 5.694 1.00 0.00 O ATOM 948 CG2 THR A 90 3.304 -7.940 6.949 1.00 0.00 C ATOM 0 H THR A 90 3.156 -5.448 3.549 1.00 0.00 H new ATOM 0 HA THR A 90 3.464 -8.355 4.162 1.00 0.00 H new ATOM 0 HB THR A 90 3.381 -6.013 6.072 1.00 0.00 H new ATOM 0 HG1 THR A 90 5.571 -6.850 6.558 1.00 0.00 H new ATOM 0 HG21 THR A 90 3.778 -7.625 7.879 1.00 0.00 H new ATOM 0 HG22 THR A 90 2.221 -7.895 7.061 1.00 0.00 H new ATOM 0 HG23 THR A 90 3.603 -8.962 6.717 1.00 0.00 H new ATOM 951 N ILE A 91 1.036 -8.564 4.658 1.00 0.00 N ATOM 952 CA ILE A 91 -0.415 -8.860 4.747 1.00 0.00 C ATOM 953 C ILE A 91 -0.626 -9.595 6.087 1.00 0.00 C ATOM 954 O ILE A 91 0.196 -10.441 6.416 1.00 0.00 O ATOM 955 CB ILE A 91 -0.813 -9.768 3.556 1.00 0.00 C ATOM 956 CG1 ILE A 91 -0.610 -9.037 2.217 1.00 0.00 C ATOM 957 CG2 ILE A 91 -2.249 -10.307 3.678 1.00 0.00 C ATOM 958 CD1 ILE A 91 -0.604 -9.945 0.980 1.00 0.00 C ATOM 0 H ILE A 91 1.604 -9.406 4.750 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.026 -7.958 4.705 1.00 0.00 H new ATOM 0 HB ILE A 91 -0.150 -10.633 3.583 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -1.400 -8.295 2.101 1.00 0.00 H new ATOM 0 HG13 ILE A 91 0.334 -8.494 2.256 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -2.476 -10.937 2.818 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -2.341 -10.894 4.592 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -2.949 -9.472 3.711 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -0.455 -9.340 0.085 1.00 0.00 H new ATOM 0 HD12 ILE A 91 0.204 -10.671 1.066 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -1.557 -10.469 0.909 1.00 0.00 H new ATOM 960 N MET A 92 -1.719 -9.294 6.791 1.00 0.00 N ATOM 961 CA MET A 92 -2.085 -9.926 8.080 1.00 0.00 C ATOM 962 C MET A 92 -3.617 -9.893 8.278 1.00 0.00 C ATOM 963 O MET A 92 -4.292 -9.020 7.741 1.00 0.00 O ATOM 964 CB MET A 92 -1.343 -9.153 9.182 1.00 0.00 C ATOM 965 CG MET A 92 -1.250 -9.833 10.553 1.00 0.00 C ATOM 966 SD MET A 92 -2.761 -9.717 11.578 1.00 0.00 S ATOM 967 CE MET A 92 -2.034 -9.772 13.200 1.00 0.00 C ATOM 0 H MET A 92 -2.393 -8.593 6.484 1.00 0.00 H new ATOM 0 HA MET A 92 -1.796 -10.977 8.108 1.00 0.00 H new ATOM 0 HB2 MET A 92 -0.331 -8.950 8.833 1.00 0.00 H new ATOM 0 HB3 MET A 92 -1.835 -8.189 9.312 1.00 0.00 H new ATOM 0 HG2 MET A 92 -1.010 -10.886 10.404 1.00 0.00 H new ATOM 0 HG3 MET A 92 -0.420 -9.392 11.105 1.00 0.00 H new ATOM 0 HE1 MET A 92 -2.820 -9.712 13.953 1.00 0.00 H new ATOM 0 HE2 MET A 92 -1.486 -10.706 13.322 1.00 0.00 H new ATOM 0 HE3 MET A 92 -1.350 -8.932 13.321 1.00 0.00 H new ATOM 969 N ASN A 93 -4.153 -10.852 9.032 1.00 0.00 N ATOM 970 CA ASN A 93 -5.604 -10.954 9.311 1.00 0.00 C ATOM 971 C ASN A 93 -5.940 -10.812 10.800 1.00 0.00 C ATOM 972 O ASN A 93 -5.440 -11.577 11.619 1.00 0.00 O ATOM 973 CB ASN A 93 -6.158 -12.303 8.844 1.00 0.00 C ATOM 974 CG ASN A 93 -6.589 -12.334 7.379 1.00 0.00 C ATOM 975 OD1 ASN A 93 -5.945 -11.805 6.485 1.00 0.00 O ATOM 976 ND2 ASN A 93 -7.608 -13.120 7.108 1.00 0.00 N ATOM 0 H ASN A 93 -3.600 -11.587 9.473 1.00 0.00 H new ATOM 0 HA ASN A 93 -6.061 -10.130 8.763 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -5.399 -13.069 9.003 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -7.012 -12.567 9.467 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -7.872 -13.297 6.139 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -8.134 -13.553 7.867 1.00 0.00 H new ATOM 980 N THR A 94 -6.858 -9.894 11.103 1.00 0.00 N ATOM 981 CA THR A 94 -7.390 -9.709 12.476 1.00 0.00 C ATOM 982 C THR A 94 -8.213 -10.928 12.935 1.00 0.00 C ATOM 983 O THR A 94 -8.083 -11.372 14.071 1.00 0.00 O ATOM 984 CB THR A 94 -8.264 -8.449 12.601 1.00 0.00 C ATOM 985 OG1 THR A 94 -7.703 -7.379 11.834 1.00 0.00 O ATOM 986 CG2 THR A 94 -8.413 -8.001 14.059 1.00 0.00 C ATOM 0 H THR A 94 -7.259 -9.255 10.416 1.00 0.00 H new ATOM 0 HA THR A 94 -6.516 -9.595 13.118 1.00 0.00 H new ATOM 0 HB THR A 94 -9.253 -8.702 12.218 1.00 0.00 H new ATOM 0 HG1 THR A 94 -8.269 -6.583 11.920 1.00 0.00 H new ATOM 0 HG21 THR A 94 -9.037 -7.108 14.103 1.00 0.00 H new ATOM 0 HG22 THR A 94 -8.878 -8.798 14.639 1.00 0.00 H new ATOM 0 HG23 THR A 94 -7.430 -7.777 14.473 1.00 0.00 H new ATOM 989 N GLU A 95 -9.029 -11.479 12.032 1.00 0.00 N ATOM 990 CA GLU A 95 -9.834 -12.689 12.315 1.00 0.00 C ATOM 991 C GLU A 95 -9.051 -14.010 12.153 1.00 0.00 C ATOM 992 O GLU A 95 -9.623 -15.063 11.871 1.00 0.00 O ATOM 993 CB GLU A 95 -11.101 -12.674 11.454 1.00 0.00 C ATOM 994 CG GLU A 95 -12.331 -12.682 12.364 1.00 0.00 C ATOM 995 CD GLU A 95 -13.366 -13.716 11.914 1.00 0.00 C ATOM 996 OE1 GLU A 95 -13.217 -14.885 12.328 1.00 0.00 O ATOM 997 OE2 GLU A 95 -14.295 -13.310 11.181 1.00 0.00 O ATOM 0 H GLU A 95 -9.156 -11.109 11.090 1.00 0.00 H new ATOM 0 HA GLU A 95 -10.109 -12.654 13.369 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -11.111 -11.789 10.817 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -11.117 -13.542 10.795 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -12.024 -12.897 13.388 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -12.786 -11.691 12.369 1.00 0.00 H new ATOM 999 N ALA A 96 -7.750 -13.929 12.437 1.00 0.00 N ATOM 1000 CA ALA A 96 -6.733 -14.995 12.281 1.00 0.00 C ATOM 1001 C ALA A 96 -5.378 -14.464 12.807 1.00 0.00 C ATOM 1002 O ALA A 96 -5.362 -13.545 13.625 1.00 0.00 O ATOM 1003 CB ALA A 96 -6.649 -15.432 10.806 1.00 0.00 C ATOM 0 H ALA A 96 -7.344 -13.069 12.805 1.00 0.00 H new ATOM 0 HA ALA A 96 -7.009 -15.876 12.860 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -5.899 -16.216 10.701 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -7.618 -15.812 10.483 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -6.370 -14.578 10.189 1.00 0.00 H new ATOM 1005 N LEU A 97 -4.278 -15.103 12.404 1.00 0.00 N ATOM 1006 CA LEU A 97 -2.881 -14.729 12.716 1.00 0.00 C ATOM 1007 C LEU A 97 -1.955 -15.635 11.881 1.00 0.00 C ATOM 1008 O LEU A 97 -2.413 -16.647 11.346 1.00 0.00 O ATOM 1009 CB LEU A 97 -2.612 -14.929 14.216 1.00 0.00 C ATOM 1010 CG LEU A 97 -1.423 -14.107 14.726 1.00 0.00 C ATOM 1011 CD1 LEU A 97 -1.813 -13.396 16.024 1.00 0.00 C ATOM 1012 CD2 LEU A 97 -0.211 -15.006 14.980 1.00 0.00 C ATOM 0 H LEU A 97 -4.331 -15.939 11.821 1.00 0.00 H new ATOM 0 HA LEU A 97 -2.699 -13.682 12.475 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -3.504 -14.655 14.779 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -2.425 -15.986 14.408 1.00 0.00 H new ATOM 0 HG LEU A 97 -1.157 -13.372 13.966 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -0.968 -12.811 16.387 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -2.658 -12.734 15.836 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -2.091 -14.136 16.775 1.00 0.00 H new ATOM 0 HD21 LEU A 97 0.621 -14.402 15.341 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -0.465 -15.757 15.728 1.00 0.00 H new ATOM 0 HD23 LEU A 97 0.076 -15.501 14.052 1.00 0.00 H new ATOM 1014 N GLY A 98 -0.741 -15.145 11.608 1.00 0.00 N ATOM 1015 CA GLY A 98 0.267 -15.925 10.853 1.00 0.00 C ATOM 1016 C GLY A 98 0.610 -15.334 9.477 1.00 0.00 C ATOM 1017 O GLY A 98 1.696 -15.565 8.950 1.00 0.00 O ATOM 0 H GLY A 98 -0.426 -14.218 11.893 1.00 0.00 H new ATOM 0 HA2 GLY A 98 1.179 -15.992 11.446 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -0.101 -16.942 10.719 1.00 0.00 H new ATOM 1019 N THR A 99 -0.363 -14.654 8.876 1.00 0.00 N ATOM 1020 CA THR A 99 -0.187 -13.905 7.616 1.00 0.00 C ATOM 1021 C THR A 99 0.853 -12.784 7.741 1.00 0.00 C ATOM 1022 O THR A 99 0.759 -11.959 8.650 1.00 0.00 O ATOM 1023 CB THR A 99 -1.510 -13.329 7.084 1.00 0.00 C ATOM 1024 OG1 THR A 99 -2.515 -13.208 8.102 1.00 0.00 O ATOM 1025 CG2 THR A 99 -2.021 -14.159 5.905 1.00 0.00 C ATOM 0 H THR A 99 -1.311 -14.601 9.248 1.00 0.00 H new ATOM 0 HA THR A 99 0.182 -14.636 6.896 1.00 0.00 H new ATOM 0 HB THR A 99 -1.299 -12.317 6.739 1.00 0.00 H new ATOM 0 HG1 THR A 99 -3.376 -12.990 7.688 1.00 0.00 H new ATOM 0 HG21 THR A 99 -2.958 -13.737 5.542 1.00 0.00 H new ATOM 0 HG22 THR A 99 -1.282 -14.146 5.104 1.00 0.00 H new ATOM 0 HG23 THR A 99 -2.188 -15.186 6.228 1.00 0.00 H new ATOM 1028 N SER A 100 1.968 -13.026 7.049 1.00 0.00 N ATOM 1029 CA SER A 100 3.042 -12.033 6.797 1.00 0.00 C ATOM 1030 C SER A 100 4.024 -12.488 5.692 1.00 0.00 C ATOM 1031 O SER A 100 4.976 -13.221 5.954 1.00 0.00 O ATOM 1032 CB SER A 100 3.799 -11.660 8.084 1.00 0.00 C ATOM 1033 OG SER A 100 4.213 -12.834 8.789 1.00 0.00 O ATOM 0 H SER A 100 2.165 -13.937 6.634 1.00 0.00 H new ATOM 0 HA SER A 100 2.540 -11.136 6.434 1.00 0.00 H new ATOM 0 HB2 SER A 100 4.670 -11.053 7.836 1.00 0.00 H new ATOM 0 HB3 SER A 100 3.159 -11.053 8.724 1.00 0.00 H new ATOM 0 HG SER A 100 4.650 -13.452 8.167 1.00 0.00 H new ATOM 1036 N PRO A 101 3.754 -12.124 4.425 1.00 0.00 N ATOM 1037 CA PRO A 101 4.610 -12.488 3.275 1.00 0.00 C ATOM 1038 C PRO A 101 5.982 -11.792 3.226 1.00 0.00 C ATOM 1039 O PRO A 101 6.933 -12.368 2.707 1.00 0.00 O ATOM 1040 CB PRO A 101 3.765 -12.178 2.038 1.00 0.00 C ATOM 1041 CG PRO A 101 2.858 -11.040 2.506 1.00 0.00 C ATOM 1042 CD PRO A 101 2.553 -11.405 3.959 1.00 0.00 C ATOM 0 HA PRO A 101 4.890 -13.539 3.348 1.00 0.00 H new ATOM 0 HB2 PRO A 101 4.384 -11.877 1.193 1.00 0.00 H new ATOM 0 HB3 PRO A 101 3.188 -13.046 1.717 1.00 0.00 H new ATOM 0 HG2 PRO A 101 3.355 -10.073 2.430 1.00 0.00 H new ATOM 0 HG3 PRO A 101 1.949 -10.979 1.908 1.00 0.00 H new ATOM 0 HD2 PRO A 101 2.366 -10.515 4.560 1.00 0.00 H new ATOM 0 HD3 PRO A 101 1.664 -12.031 4.032 1.00 0.00 H new ATOM 1043 N ARG A 102 6.009 -10.514 3.611 1.00 0.00 N ATOM 1044 CA ARG A 102 7.200 -9.636 3.651 1.00 0.00 C ATOM 1045 C ARG A 102 8.036 -9.653 2.356 1.00 0.00 C ATOM 1046 O ARG A 102 9.163 -10.141 2.283 1.00 0.00 O ATOM 1047 CB ARG A 102 8.034 -9.894 4.911 1.00 0.00 C ATOM 1048 CG ARG A 102 8.422 -8.544 5.521 1.00 0.00 C ATOM 1049 CD ARG A 102 9.933 -8.371 5.710 1.00 0.00 C ATOM 1050 NE ARG A 102 10.479 -9.177 6.822 1.00 0.00 N ATOM 1051 CZ ARG A 102 10.286 -8.995 8.134 1.00 0.00 C ATOM 1052 NH1 ARG A 102 9.466 -8.071 8.617 1.00 0.00 N ATOM 1053 NH2 ARG A 102 11.056 -9.634 9.000 1.00 0.00 N ATOM 0 H ARG A 102 5.165 -10.032 3.920 1.00 0.00 H new ATOM 0 HA ARG A 102 6.827 -8.614 3.711 1.00 0.00 H new ATOM 0 HB2 ARG A 102 7.464 -10.484 5.628 1.00 0.00 H new ATOM 0 HB3 ARG A 102 8.927 -10.469 4.664 1.00 0.00 H new ATOM 0 HG2 ARG A 102 8.050 -7.744 4.881 1.00 0.00 H new ATOM 0 HG3 ARG A 102 7.928 -8.435 6.487 1.00 0.00 H new ATOM 0 HD2 ARG A 102 10.442 -8.647 4.786 1.00 0.00 H new ATOM 0 HD3 ARG A 102 10.151 -7.319 5.892 1.00 0.00 H new ATOM 0 HE ARG A 102 11.072 -9.964 6.559 1.00 0.00 H new ATOM 0 HH11 ARG A 102 8.951 -7.463 7.980 1.00 0.00 H new ATOM 0 HH12 ARG A 102 9.350 -7.969 9.625 1.00 0.00 H new ATOM 0 HH21 ARG A 102 11.789 -10.259 8.666 1.00 0.00 H new ATOM 0 HH22 ARG A 102 10.916 -9.501 10.002 1.00 0.00 H new ATOM 1060 N MET A 103 7.499 -8.917 1.390 1.00 0.00 N ATOM 1061 CA MET A 103 8.046 -8.839 0.025 1.00 0.00 C ATOM 1062 C MET A 103 8.700 -7.471 -0.218 1.00 0.00 C ATOM 1063 O MET A 103 8.079 -6.426 -0.011 1.00 0.00 O ATOM 1064 CB MET A 103 6.900 -9.083 -0.966 1.00 0.00 C ATOM 1065 CG MET A 103 7.390 -9.290 -2.401 1.00 0.00 C ATOM 1066 SD MET A 103 6.026 -9.622 -3.572 1.00 0.00 S ATOM 1067 CE MET A 103 6.967 -9.923 -5.052 1.00 0.00 C ATOM 0 H MET A 103 6.663 -8.349 1.526 1.00 0.00 H new ATOM 0 HA MET A 103 8.818 -9.596 -0.112 1.00 0.00 H new ATOM 0 HB2 MET A 103 6.334 -9.959 -0.651 1.00 0.00 H new ATOM 0 HB3 MET A 103 6.216 -8.235 -0.939 1.00 0.00 H new ATOM 0 HG2 MET A 103 7.935 -8.403 -2.726 1.00 0.00 H new ATOM 0 HG3 MET A 103 8.093 -10.122 -2.424 1.00 0.00 H new ATOM 0 HE1 MET A 103 6.288 -10.144 -5.876 1.00 0.00 H new ATOM 0 HE2 MET A 103 7.556 -9.039 -5.295 1.00 0.00 H new ATOM 0 HE3 MET A 103 7.633 -10.771 -4.893 1.00 0.00 H new ATOM 1069 N THR A 104 9.953 -7.531 -0.653 1.00 0.00 N ATOM 1070 CA THR A 104 10.764 -6.351 -1.014 1.00 0.00 C ATOM 1071 C THR A 104 10.975 -6.258 -2.531 1.00 0.00 C ATOM 1072 O THR A 104 11.873 -6.851 -3.127 1.00 0.00 O ATOM 1073 CB THR A 104 12.112 -6.336 -0.279 1.00 0.00 C ATOM 1074 OG1 THR A 104 12.737 -7.621 -0.362 1.00 0.00 O ATOM 1075 CG2 THR A 104 11.944 -5.893 1.176 1.00 0.00 C ATOM 0 H THR A 104 10.452 -8.413 -0.770 1.00 0.00 H new ATOM 0 HA THR A 104 10.202 -5.473 -0.694 1.00 0.00 H new ATOM 0 HB THR A 104 12.761 -5.608 -0.767 1.00 0.00 H new ATOM 0 HG1 THR A 104 12.727 -7.930 -1.292 1.00 0.00 H new ATOM 0 HG21 THR A 104 12.915 -5.892 1.671 1.00 0.00 H new ATOM 0 HG22 THR A 104 11.522 -4.888 1.204 1.00 0.00 H new ATOM 0 HG23 THR A 104 11.275 -6.582 1.691 1.00 0.00 H new ATOM 1078 N PHE A 105 10.113 -5.444 -3.117 1.00 0.00 N ATOM 1079 CA PHE A 105 10.030 -5.222 -4.573 1.00 0.00 C ATOM 1080 C PHE A 105 10.509 -3.802 -4.889 1.00 0.00 C ATOM 1081 O PHE A 105 10.396 -2.906 -4.057 1.00 0.00 O ATOM 1082 CB PHE A 105 8.617 -5.527 -5.122 1.00 0.00 C ATOM 1083 CG PHE A 105 7.385 -5.019 -4.347 1.00 0.00 C ATOM 1084 CD1 PHE A 105 7.260 -5.223 -2.976 1.00 0.00 C ATOM 1085 CD2 PHE A 105 6.379 -4.331 -5.017 1.00 0.00 C ATOM 1086 CE1 PHE A 105 6.200 -4.674 -2.274 1.00 0.00 C ATOM 1087 CE2 PHE A 105 5.275 -3.846 -4.322 1.00 0.00 C ATOM 1088 CZ PHE A 105 5.192 -3.997 -2.945 1.00 0.00 C ATOM 0 H PHE A 105 9.429 -4.900 -2.591 1.00 0.00 H new ATOM 0 HA PHE A 105 10.688 -5.922 -5.087 1.00 0.00 H new ATOM 0 HB2 PHE A 105 8.562 -5.119 -6.131 1.00 0.00 H new ATOM 0 HB3 PHE A 105 8.526 -6.610 -5.211 1.00 0.00 H new ATOM 0 HD1 PHE A 105 7.997 -5.815 -2.454 1.00 0.00 H new ATOM 0 HD2 PHE A 105 6.455 -4.172 -6.083 1.00 0.00 H new ATOM 0 HE1 PHE A 105 6.158 -4.773 -1.199 1.00 0.00 H new ATOM 0 HE2 PHE A 105 4.479 -3.350 -4.857 1.00 0.00 H new ATOM 0 HZ PHE A 105 4.351 -3.592 -2.401 1.00 0.00 H new ATOM 1095 N ILE A 106 11.278 -3.674 -5.963 1.00 0.00 N ATOM 1096 CA ILE A 106 11.908 -2.375 -6.281 1.00 0.00 C ATOM 1097 C ILE A 106 11.355 -1.765 -7.580 1.00 0.00 C ATOM 1098 O ILE A 106 10.972 -2.489 -8.501 1.00 0.00 O ATOM 1099 CB ILE A 106 13.454 -2.449 -6.231 1.00 0.00 C ATOM 1100 CG1 ILE A 106 14.077 -3.262 -7.371 1.00 0.00 C ATOM 1101 CG2 ILE A 106 13.918 -2.986 -4.863 1.00 0.00 C ATOM 1102 CD1 ILE A 106 15.554 -2.923 -7.612 1.00 0.00 C ATOM 0 H ILE A 106 11.484 -4.426 -6.621 1.00 0.00 H new ATOM 0 HA ILE A 106 11.628 -1.676 -5.493 1.00 0.00 H new ATOM 0 HB ILE A 106 13.811 -1.428 -6.368 1.00 0.00 H new ATOM 0 HG12 ILE A 106 13.986 -4.324 -7.144 1.00 0.00 H new ATOM 0 HG13 ILE A 106 13.515 -3.083 -8.287 1.00 0.00 H new ATOM 0 HG21 ILE A 106 15.007 -3.033 -4.841 1.00 0.00 H new ATOM 0 HG22 ILE A 106 13.567 -2.321 -4.073 1.00 0.00 H new ATOM 0 HG23 ILE A 106 13.508 -3.984 -4.706 1.00 0.00 H new ATOM 0 HD11 ILE A 106 15.938 -3.531 -8.431 1.00 0.00 H new ATOM 0 HD12 ILE A 106 15.648 -1.868 -7.869 1.00 0.00 H new ATOM 0 HD13 ILE A 106 16.127 -3.129 -6.708 1.00 0.00 H new ATOM 1104 N LYS A 107 11.173 -0.443 -7.548 1.00 0.00 N ATOM 1105 CA LYS A 107 10.631 0.373 -8.659 1.00 0.00 C ATOM 1106 C LYS A 107 11.598 0.381 -9.861 1.00 0.00 C ATOM 1107 O LYS A 107 12.312 1.350 -10.089 1.00 0.00 O ATOM 1108 CB LYS A 107 10.423 1.812 -8.155 1.00 0.00 C ATOM 1109 CG LYS A 107 9.065 2.457 -8.455 1.00 0.00 C ATOM 1110 CD LYS A 107 8.670 2.577 -9.929 1.00 0.00 C ATOM 1111 CE LYS A 107 7.395 3.417 -10.009 1.00 0.00 C ATOM 1112 NZ LYS A 107 6.846 3.507 -11.369 1.00 0.00 N ATOM 0 H LYS A 107 11.403 0.115 -6.726 1.00 0.00 H new ATOM 0 HA LYS A 107 9.685 -0.057 -8.988 1.00 0.00 H new ATOM 0 HB2 LYS A 107 10.572 1.819 -7.075 1.00 0.00 H new ATOM 0 HB3 LYS A 107 11.201 2.440 -8.588 1.00 0.00 H new ATOM 0 HG2 LYS A 107 8.294 1.881 -7.942 1.00 0.00 H new ATOM 0 HG3 LYS A 107 9.059 3.456 -8.019 1.00 0.00 H new ATOM 0 HD2 LYS A 107 9.471 3.045 -10.501 1.00 0.00 H new ATOM 0 HD3 LYS A 107 8.504 1.590 -10.361 1.00 0.00 H new ATOM 0 HE2 LYS A 107 6.642 2.987 -9.348 1.00 0.00 H new ATOM 0 HE3 LYS A 107 7.606 4.421 -9.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 6.627 4.499 -11.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 7.545 3.147 -12.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 5.977 2.938 -11.431 1.00 0.00 H new ATOM 1117 N HIS A 108 11.622 -0.756 -10.555 1.00 0.00 N ATOM 1118 CA HIS A 108 12.407 -1.109 -11.768 1.00 0.00 C ATOM 1119 C HIS A 108 13.454 -2.168 -11.396 1.00 0.00 C ATOM 1120 O HIS A 108 14.292 -1.960 -10.522 1.00 0.00 O ATOM 1121 CB HIS A 108 13.143 0.011 -12.535 1.00 0.00 C ATOM 1122 CG HIS A 108 12.323 1.221 -13.015 1.00 0.00 C ATOM 1123 ND1 HIS A 108 12.859 2.355 -13.458 1.00 0.00 N ATOM 1124 CD2 HIS A 108 11.021 1.447 -12.852 1.00 0.00 C ATOM 1125 CE1 HIS A 108 11.903 3.279 -13.521 1.00 0.00 C ATOM 1126 NE2 HIS A 108 10.760 2.713 -13.153 1.00 0.00 N ATOM 0 H HIS A 108 11.039 -1.540 -10.264 1.00 0.00 H new ATOM 0 HA HIS A 108 11.632 -1.444 -12.457 1.00 0.00 H new ATOM 0 HB2 HIS A 108 13.943 0.383 -11.895 1.00 0.00 H new ATOM 0 HB3 HIS A 108 13.616 -0.438 -13.408 1.00 0.00 H new ATOM 0 HD2 HIS A 108 10.294 0.717 -12.527 1.00 0.00 H new ATOM 0 HE1 HIS A 108 12.034 4.309 -13.819 1.00 0.00 H new ATOM 0 HE2 HIS A 108 9.848 3.168 -13.110 1.00 0.00 H new ATOM 1129 N LYS A 109 13.250 -3.354 -11.963 1.00 0.00 N ATOM 1130 CA LYS A 109 14.110 -4.548 -11.755 1.00 0.00 C ATOM 1131 C LYS A 109 13.977 -5.617 -12.857 1.00 0.00 C ATOM 1132 O LYS A 109 14.966 -6.350 -13.074 1.00 99.99 O ATOM 1133 CG LYS A 109 12.405 -5.442 -10.019 1.00 0.00 C ATOM 1134 CD LYS A 109 12.153 -6.880 -9.558 1.00 0.00 C ATOM 1135 CE LYS A 109 12.128 -7.841 -10.750 1.00 0.00 C ATOM 1136 NZ LYS A 109 12.061 -9.240 -10.313 1.00 0.00 N ATOM 1137 OXT LYS A 109 12.888 -5.651 -13.473 1.00 99.99 O ATOM 0 H LYS A 109 12.470 -3.530 -12.596 1.00 0.00 H new ATOM 0 HD2 LYS A 109 12.932 -7.183 -8.858 1.00 0.00 H new ATOM 0 HD3 LYS A 109 11.205 -6.933 -9.023 1.00 0.00 H new ATOM 0 HE2 LYS A 109 11.270 -7.615 -11.383 1.00 0.00 H new ATOM 0 HE3 LYS A 109 13.020 -7.691 -11.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 12.046 -9.863 -11.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 12.893 -9.462 -9.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 11.197 -9.388 -9.754 1.00 0.00 H new TER 1142 LYS A 109