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 92 MET CE :methyl 152:sc= 0 (180deg=-0.0157) USER MOD Set 1.2: A 99 THR OG1 : rot 180:sc= -0.136 USER MOD Set 2.1: A 74 SER OG : rot 60:sc= 0.527 USER MOD Set 2.2: A 93 ASN : amide:sc= -1.68 X(o=-1.1,f=-1.3) USER MOD Set 3.1: A 59 ASN : amide:sc= 0.926 K(o=1.9,f=-0.93!) USER MOD Set 3.2: A 66 THR OG1 : rot 66:sc= 0.986 USER MOD Set 4.1: A 10 SER OG : rot 168:sc= 0.698 USER MOD Set 4.2: A 48 SER OG : rot -140:sc= 0.632 USER MOD Set 5.1: A 46 SER OG : rot -53:sc= 1.96 USER MOD Set 5.2: A 47 THR OG1 : rot 69:sc= 0.705 USER MOD Set 6.1: A 5 GLN : amide:sc= 1.13 K(o=1.8,f=-1.5) USER MOD Set 6.2: A 37 ASN : amide:sc= -0.577 X(o=1.8,f=2.2) USER MOD Set 6.3: A 39 SER OG : rot -163:sc= 1.24 USER MOD Single : A 1 GLY N :NH3+ -167:sc= 0.54 (180deg=0.444) USER MOD Single : A 2 SER OG : rot 180:sc= 0.392 USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0322) USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=-0.026) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 145:sc= -1.22 (180deg=-1.33) USER MOD Single : A 22 TYR OH : rot 130:sc= -0.144 USER MOD Single : A 23 TYR OH : rot -121:sc= -1.37 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 32 HIS : no HD1:sc= 0 X(o=0,f=-0.0011) USER MOD Single : A 34 GLN : amide:sc= -2.83! C(o=-2.8!,f=-1.6!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 136:sc= -0.456 USER MOD Single : A 53 TYR OH : 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 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.0595 USER MOD Single : A 62 HIS : no HE2:sc= 0.0707 X(o=0.071,f=-0.35) USER MOD Single : A 63 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0213) USER MOD Single : A 64 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -2.19! K(o=-2.2!,f=0.72) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0.029) USER MOD Single : A 72 ASN : amide:sc= -1.91 K(o=-1.9,f=-4.4!) USER MOD Single : A 73 SER OG : rot 153:sc= 0.461 USER MOD Single : A 83 ASN : amide:sc= 0.632 K(o=0.63,f=-6!) USER MOD Single : A 85 ASN : amide:sc= -3.13! K(o=-3.1!,f=-0.14) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= -0.231 USER MOD Single : A 100 SER OG : rot -62:sc= 0.852 USER MOD Single : A 103 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 104 THR OG1 : rot 52:sc= 0.0342 USER MOD Single : A 107 LYS NZ :NH3+ -153:sc= 0.176 (180deg=-0.012) USER MOD Single : A 108 HIS : no HD1:sc= -2.26! C(o=-2.3!,f=-5!) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.036 -17.233 -9.096 1.00 0.00 N ATOM 2 CA GLY A 1 -0.319 -17.824 -8.971 1.00 0.00 C ATOM 3 C GLY A 1 -0.984 -17.722 -7.580 1.00 0.00 C ATOM 4 O GLY A 1 -1.399 -18.726 -7.005 1.00 0.00 O ATOM 0 H1 GLY A 1 1.291 -17.159 -10.102 1.00 0.00 H new ATOM 0 H2 GLY A 1 1.042 -16.286 -8.667 1.00 0.00 H new ATOM 0 H3 GLY A 1 1.726 -17.839 -8.607 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -0.971 -17.341 -9.698 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -0.260 -18.877 -9.246 1.00 0.00 H new ATOM 8 N SER A 2 -0.958 -16.508 -7.035 1.00 0.00 N ATOM 9 CA SER A 2 -1.601 -16.128 -5.757 1.00 0.00 C ATOM 10 C SER A 2 -1.867 -14.611 -5.736 1.00 0.00 C ATOM 11 O SER A 2 -2.926 -14.168 -6.172 1.00 0.00 O ATOM 12 CB SER A 2 -0.777 -16.617 -4.551 1.00 0.00 C ATOM 13 OG SER A 2 0.566 -16.114 -4.592 1.00 0.00 O ATOM 0 H SER A 2 -0.474 -15.727 -7.478 1.00 0.00 H new ATOM 0 HA SER A 2 -2.567 -16.626 -5.676 1.00 0.00 H new ATOM 0 HB2 SER A 2 -1.258 -16.297 -3.627 1.00 0.00 H new ATOM 0 HB3 SER A 2 -0.758 -17.707 -4.540 1.00 0.00 H new ATOM 0 HG SER A 2 1.062 -16.441 -3.812 1.00 0.00 H new ATOM 16 N MET A 3 -0.868 -13.831 -5.326 1.00 0.00 N ATOM 17 CA MET A 3 -0.891 -12.354 -5.344 1.00 0.00 C ATOM 18 C MET A 3 0.355 -11.778 -6.031 1.00 0.00 C ATOM 19 O MET A 3 1.460 -11.830 -5.494 1.00 0.00 O ATOM 20 CB MET A 3 -1.062 -11.806 -3.922 1.00 0.00 C ATOM 21 CG MET A 3 -2.509 -11.964 -3.443 1.00 0.00 C ATOM 22 SD MET A 3 -2.736 -11.679 -1.651 1.00 0.00 S ATOM 23 CE MET A 3 -2.201 -13.254 -1.014 1.00 0.00 C ATOM 0 H MET A 3 0.006 -14.210 -4.961 1.00 0.00 H new ATOM 0 HA MET A 3 -1.750 -12.033 -5.934 1.00 0.00 H new ATOM 0 HB2 MET A 3 -0.391 -12.332 -3.243 1.00 0.00 H new ATOM 0 HB3 MET A 3 -0.780 -10.753 -3.898 1.00 0.00 H new ATOM 0 HG2 MET A 3 -3.141 -11.268 -3.994 1.00 0.00 H new ATOM 0 HG3 MET A 3 -2.854 -12.969 -3.687 1.00 0.00 H new ATOM 0 HE1 MET A 3 -2.276 -13.251 0.073 1.00 0.00 H new ATOM 0 HE2 MET A 3 -2.833 -14.044 -1.419 1.00 0.00 H new ATOM 0 HE3 MET A 3 -1.166 -13.432 -1.306 1.00 0.00 H new ATOM 25 N GLU A 4 0.174 -11.564 -7.331 1.00 0.00 N ATOM 26 CA GLU A 4 1.125 -10.915 -8.265 1.00 0.00 C ATOM 27 C GLU A 4 0.468 -10.771 -9.646 1.00 0.00 C ATOM 28 O GLU A 4 -0.448 -11.526 -9.967 1.00 0.00 O ATOM 29 CB GLU A 4 2.493 -11.619 -8.406 1.00 0.00 C ATOM 30 CG GLU A 4 2.484 -13.062 -8.924 1.00 0.00 C ATOM 31 CD GLU A 4 2.193 -14.092 -7.830 1.00 0.00 C ATOM 32 OE1 GLU A 4 3.171 -14.552 -7.206 1.00 0.00 O ATOM 33 OE2 GLU A 4 1.018 -14.521 -7.748 1.00 0.00 O ATOM 0 H GLU A 4 -0.685 -11.850 -7.800 1.00 0.00 H new ATOM 0 HA GLU A 4 1.348 -9.942 -7.827 1.00 0.00 H new ATOM 0 HB2 GLU A 4 3.113 -11.023 -9.075 1.00 0.00 H new ATOM 0 HB3 GLU A 4 2.979 -11.612 -7.431 1.00 0.00 H new ATOM 0 HG2 GLU A 4 1.735 -13.155 -9.710 1.00 0.00 H new ATOM 0 HG3 GLU A 4 3.450 -13.285 -9.377 1.00 0.00 H new ATOM 35 N GLN A 5 0.955 -9.807 -10.427 1.00 0.00 N ATOM 36 CA GLN A 5 0.390 -9.425 -11.744 1.00 0.00 C ATOM 37 C GLN A 5 -1.063 -8.900 -11.706 1.00 0.00 C ATOM 38 O GLN A 5 -1.847 -9.136 -12.623 1.00 0.00 O ATOM 39 CB GLN A 5 0.549 -10.541 -12.792 1.00 0.00 C ATOM 40 CG GLN A 5 1.927 -10.575 -13.460 1.00 0.00 C ATOM 41 CD GLN A 5 1.785 -10.537 -14.988 1.00 0.00 C ATOM 42 OE1 GLN A 5 2.127 -9.568 -15.651 1.00 0.00 O ATOM 43 NE2 GLN A 5 1.229 -11.568 -15.580 1.00 0.00 N ATOM 0 H GLN A 5 1.770 -9.252 -10.167 1.00 0.00 H new ATOM 0 HA GLN A 5 0.995 -8.572 -12.051 1.00 0.00 H new ATOM 0 HB2 GLN A 5 0.364 -11.503 -12.314 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -0.213 -10.415 -13.561 1.00 0.00 H new ATOM 0 HG2 GLN A 5 2.522 -9.726 -13.123 1.00 0.00 H new ATOM 0 HG3 GLN A 5 2.461 -11.477 -13.161 1.00 0.00 H new ATOM 0 HE21 GLN A 5 0.942 -12.378 -15.031 1.00 0.00 H new ATOM 0 HE22 GLN A 5 1.084 -11.559 -16.590 1.00 0.00 H new ATOM 47 N PHE A 6 -1.385 -8.231 -10.595 1.00 0.00 N ATOM 48 CA PHE A 6 -2.597 -7.408 -10.363 1.00 0.00 C ATOM 49 C PHE A 6 -2.625 -6.886 -8.920 1.00 0.00 C ATOM 50 O PHE A 6 -2.722 -7.668 -7.974 1.00 0.00 O ATOM 51 CB PHE A 6 -3.915 -8.142 -10.655 1.00 0.00 C ATOM 52 CG PHE A 6 -4.732 -7.477 -11.772 1.00 0.00 C ATOM 53 CD1 PHE A 6 -4.156 -7.114 -12.987 1.00 0.00 C ATOM 54 CD2 PHE A 6 -6.108 -7.361 -11.612 1.00 0.00 C ATOM 55 CE1 PHE A 6 -4.946 -6.653 -14.032 1.00 0.00 C ATOM 56 CE2 PHE A 6 -6.900 -6.893 -12.654 1.00 0.00 C ATOM 57 CZ PHE A 6 -6.320 -6.542 -13.867 1.00 0.00 C ATOM 0 H PHE A 6 -0.775 -8.244 -9.777 1.00 0.00 H new ATOM 0 HA PHE A 6 -2.527 -6.582 -11.071 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -3.697 -9.173 -10.935 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -4.514 -8.179 -9.745 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -3.087 -7.192 -13.117 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -6.564 -7.636 -10.673 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -4.491 -6.381 -14.973 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -7.968 -6.802 -12.521 1.00 0.00 H new ATOM 0 HZ PHE A 6 -6.936 -6.184 -14.679 1.00 0.00 H new ATOM 64 N GLU A 7 -2.192 -5.637 -8.765 1.00 0.00 N ATOM 65 CA GLU A 7 -2.265 -4.922 -7.473 1.00 0.00 C ATOM 66 C GLU A 7 -2.928 -3.545 -7.628 1.00 0.00 C ATOM 67 O GLU A 7 -2.342 -2.625 -8.196 1.00 0.00 O ATOM 68 CB GLU A 7 -0.880 -4.779 -6.827 1.00 0.00 C ATOM 69 CG GLU A 7 -0.231 -6.101 -6.400 1.00 0.00 C ATOM 70 CD GLU A 7 0.960 -6.486 -7.284 1.00 0.00 C ATOM 71 OE1 GLU A 7 1.878 -5.645 -7.425 1.00 0.00 O ATOM 72 OE2 GLU A 7 0.982 -7.652 -7.740 1.00 0.00 O ATOM 0 H GLU A 7 -1.782 -5.087 -9.520 1.00 0.00 H new ATOM 0 HA GLU A 7 -2.886 -5.526 -6.812 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -0.217 -4.275 -7.530 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -0.967 -4.134 -5.953 1.00 0.00 H new ATOM 0 HG2 GLU A 7 0.101 -6.021 -5.365 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -0.977 -6.895 -6.435 1.00 0.00 H new ATOM 74 N LEU A 8 -4.189 -3.471 -7.209 1.00 0.00 N ATOM 75 CA LEU A 8 -5.025 -2.260 -7.345 1.00 0.00 C ATOM 76 C LEU A 8 -5.611 -1.865 -5.978 1.00 0.00 C ATOM 77 O LEU A 8 -6.373 -2.624 -5.380 1.00 0.00 O ATOM 78 CB LEU A 8 -6.134 -2.572 -8.360 1.00 0.00 C ATOM 79 CG LEU A 8 -6.591 -1.373 -9.203 1.00 0.00 C ATOM 80 CD1 LEU A 8 -7.429 -1.883 -10.376 1.00 0.00 C ATOM 81 CD2 LEU A 8 -7.409 -0.356 -8.399 1.00 0.00 C ATOM 0 H LEU A 8 -4.672 -4.250 -6.761 1.00 0.00 H new ATOM 0 HA LEU A 8 -4.433 -1.416 -7.697 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -5.783 -3.357 -9.030 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -6.995 -2.971 -7.825 1.00 0.00 H new ATOM 0 HG LEU A 8 -5.696 -0.858 -9.553 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -7.759 -1.039 -10.982 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -6.827 -2.555 -10.988 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -8.299 -2.419 -9.996 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -7.704 0.469 -9.048 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -8.300 -0.840 -8.000 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -6.805 0.028 -7.576 1.00 0.00 H new ATOM 83 N PHE A 9 -5.154 -0.726 -5.463 1.00 0.00 N ATOM 84 CA PHE A 9 -5.548 -0.245 -4.118 1.00 0.00 C ATOM 85 C PHE A 9 -6.113 1.185 -4.083 1.00 0.00 C ATOM 86 O PHE A 9 -5.674 2.054 -4.833 1.00 0.00 O ATOM 87 CB PHE A 9 -4.347 -0.356 -3.172 1.00 0.00 C ATOM 88 CG PHE A 9 -3.807 -1.787 -3.105 1.00 0.00 C ATOM 89 CD1 PHE A 9 -4.458 -2.737 -2.330 1.00 0.00 C ATOM 90 CD2 PHE A 9 -2.637 -2.118 -3.775 1.00 0.00 C ATOM 91 CE1 PHE A 9 -3.924 -4.013 -2.194 1.00 0.00 C ATOM 92 CE2 PHE A 9 -2.107 -3.396 -3.644 1.00 0.00 C ATOM 93 CZ PHE A 9 -2.744 -4.342 -2.849 1.00 0.00 C ATOM 0 H PHE A 9 -4.506 -0.108 -5.951 1.00 0.00 H new ATOM 0 HA PHE A 9 -6.369 -0.886 -3.796 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -3.557 0.315 -3.508 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -4.639 -0.031 -2.174 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -5.382 -2.484 -1.831 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -2.141 -1.386 -4.395 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -4.425 -4.747 -1.581 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -1.196 -3.656 -4.162 1.00 0.00 H new ATOM 0 HZ PHE A 9 -2.322 -5.330 -2.741 1.00 0.00 H new ATOM 100 N SER A 10 -7.054 1.408 -3.164 1.00 0.00 N ATOM 101 CA SER A 10 -7.717 2.720 -2.979 1.00 0.00 C ATOM 102 C SER A 10 -7.954 3.105 -1.509 1.00 0.00 C ATOM 103 O SER A 10 -8.592 2.369 -0.751 1.00 0.00 O ATOM 104 CB SER A 10 -9.052 2.737 -3.730 1.00 0.00 C ATOM 105 OG SER A 10 -9.651 4.034 -3.672 1.00 0.00 O ATOM 0 H SER A 10 -7.385 0.689 -2.521 1.00 0.00 H new ATOM 0 HA SER A 10 -7.029 3.462 -3.384 1.00 0.00 H new ATOM 0 HB2 SER A 10 -8.893 2.451 -4.770 1.00 0.00 H new ATOM 0 HB3 SER A 10 -9.728 2.000 -3.296 1.00 0.00 H new ATOM 0 HG SER A 10 -10.396 4.079 -4.307 1.00 0.00 H new ATOM 108 N ILE A 11 -7.469 4.296 -1.165 1.00 0.00 N ATOM 109 CA ILE A 11 -7.614 4.894 0.182 1.00 0.00 C ATOM 110 C ILE A 11 -8.970 5.597 0.398 1.00 0.00 C ATOM 111 O ILE A 11 -9.431 6.347 -0.460 1.00 0.00 O ATOM 112 CB ILE A 11 -6.366 5.764 0.491 1.00 0.00 C ATOM 113 CG1 ILE A 11 -5.562 5.202 1.678 1.00 0.00 C ATOM 114 CG2 ILE A 11 -6.563 7.287 0.585 1.00 0.00 C ATOM 115 CD1 ILE A 11 -6.254 5.172 3.046 1.00 0.00 C ATOM 0 H ILE A 11 -6.955 4.890 -1.816 1.00 0.00 H new ATOM 0 HA ILE A 11 -7.644 4.097 0.925 1.00 0.00 H new ATOM 0 HB ILE A 11 -5.776 5.671 -0.421 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -5.261 4.184 1.430 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -4.649 5.789 1.775 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -5.608 7.764 0.805 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -6.947 7.663 -0.363 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -7.274 7.514 1.380 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -5.575 4.753 3.788 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -6.529 6.186 3.337 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -7.151 4.556 2.987 1.00 0.00 H new ATOM 117 N ASP A 12 -9.414 5.500 1.649 1.00 0.00 N ATOM 118 CA ASP A 12 -10.614 6.136 2.258 1.00 0.00 C ATOM 119 C ASP A 12 -10.850 7.659 2.122 1.00 0.00 C ATOM 120 O ASP A 12 -11.856 8.159 2.619 1.00 0.00 O ATOM 121 CB ASP A 12 -10.625 5.800 3.759 1.00 0.00 C ATOM 122 CG ASP A 12 -9.396 6.314 4.531 1.00 0.00 C ATOM 123 OD1 ASP A 12 -8.663 7.170 3.987 1.00 0.00 O ATOM 124 OD2 ASP A 12 -9.085 5.708 5.574 1.00 0.00 O ATOM 0 H ASP A 12 -8.913 4.931 2.332 1.00 0.00 H new ATOM 0 HA ASP A 12 -11.421 5.713 1.660 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -11.524 6.222 4.208 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -10.688 4.718 3.877 1.00 0.00 H new ATOM 126 N LYS A 13 -9.986 8.343 1.378 1.00 0.00 N ATOM 127 CA LYS A 13 -9.805 9.812 1.406 1.00 0.00 C ATOM 128 C LYS A 13 -9.594 10.355 2.836 1.00 0.00 C ATOM 129 O LYS A 13 -10.514 10.817 3.508 1.00 0.00 O ATOM 130 CB LYS A 13 -10.941 10.534 0.655 1.00 0.00 C ATOM 131 CG LYS A 13 -10.745 12.054 0.544 1.00 0.00 C ATOM 132 CD LYS A 13 -9.509 12.439 -0.278 1.00 0.00 C ATOM 133 CE LYS A 13 -9.190 13.934 -0.180 1.00 0.00 C ATOM 134 NZ LYS A 13 -10.247 14.784 -0.753 1.00 0.00 N ATOM 0 H LYS A 13 -9.365 7.884 0.711 1.00 0.00 H new ATOM 0 HA LYS A 13 -8.882 10.032 0.870 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -11.025 10.114 -0.347 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -11.884 10.335 1.164 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -11.630 12.497 0.088 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -10.656 12.478 1.544 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -8.651 11.863 0.068 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -9.672 12.172 -1.322 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -9.043 14.201 0.866 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -8.250 14.134 -0.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -9.977 15.784 -0.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -10.372 14.552 -1.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -11.140 14.617 -0.246 1.00 0.00 H new ATOM 139 N PHE A 14 -8.365 10.162 3.299 1.00 0.00 N ATOM 140 CA PHE A 14 -7.861 10.713 4.574 1.00 0.00 C ATOM 141 C PHE A 14 -6.661 11.654 4.323 1.00 0.00 C ATOM 142 O PHE A 14 -6.767 12.580 3.522 1.00 0.00 O ATOM 143 CB PHE A 14 -7.546 9.557 5.547 1.00 0.00 C ATOM 144 CG PHE A 14 -8.626 9.129 6.553 1.00 0.00 C ATOM 145 CD1 PHE A 14 -9.951 9.552 6.493 1.00 0.00 C ATOM 146 CD2 PHE A 14 -8.242 8.259 7.566 1.00 0.00 C ATOM 147 CE1 PHE A 14 -10.872 9.112 7.436 1.00 0.00 C ATOM 148 CE2 PHE A 14 -9.162 7.808 8.506 1.00 0.00 C ATOM 149 CZ PHE A 14 -10.480 8.241 8.445 1.00 0.00 C ATOM 0 H PHE A 14 -7.669 9.610 2.798 1.00 0.00 H new ATOM 0 HA PHE A 14 -8.627 11.327 5.047 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -7.285 8.683 4.950 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -6.657 9.834 6.113 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -10.265 10.226 5.709 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -7.215 7.929 7.624 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -11.897 9.449 7.384 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -8.852 7.123 9.281 1.00 0.00 H new ATOM 0 HZ PHE A 14 -11.197 7.902 9.178 1.00 0.00 H new ATOM 156 N LYS A 15 -5.489 11.266 4.830 1.00 0.00 N ATOM 157 CA LYS A 15 -4.222 12.034 4.865 1.00 0.00 C ATOM 158 C LYS A 15 -3.213 11.230 5.706 1.00 0.00 C ATOM 159 O LYS A 15 -2.142 10.868 5.223 1.00 0.00 O ATOM 160 CB LYS A 15 -4.447 13.409 5.523 1.00 0.00 C ATOM 161 CG LYS A 15 -3.436 14.503 5.149 1.00 0.00 C ATOM 162 CD LYS A 15 -2.014 14.280 5.684 1.00 0.00 C ATOM 163 CE LYS A 15 -1.097 15.475 5.404 1.00 0.00 C ATOM 164 NZ LYS A 15 -0.942 15.747 3.967 1.00 0.00 N ATOM 0 H LYS A 15 -5.382 10.346 5.258 1.00 0.00 H new ATOM 0 HA LYS A 15 -3.853 12.192 3.852 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -5.445 13.758 5.259 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -4.430 13.280 6.605 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -3.392 14.580 4.063 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -3.803 15.459 5.522 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -2.056 14.100 6.758 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -1.592 13.385 5.227 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -1.500 16.360 5.896 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -0.117 15.286 5.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -0.247 16.509 3.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -0.612 14.887 3.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -1.857 16.038 3.568 1.00 0.00 H new ATOM 169 N CYS A 16 -3.710 10.787 6.869 1.00 0.00 N ATOM 170 CA CYS A 16 -2.988 10.051 7.932 1.00 0.00 C ATOM 171 C CYS A 16 -1.981 10.997 8.627 1.00 0.00 C ATOM 172 O CYS A 16 -2.226 12.201 8.686 1.00 0.00 O ATOM 173 CB CYS A 16 -2.340 8.768 7.381 1.00 0.00 C ATOM 174 SG CYS A 16 -3.434 7.676 6.395 1.00 0.00 S ATOM 0 H CYS A 16 -4.688 10.939 7.114 1.00 0.00 H new ATOM 0 HA CYS A 16 -3.696 9.718 8.691 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -1.489 9.051 6.762 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -1.947 8.194 8.220 1.00 0.00 H new ATOM 176 N ASN A 17 -0.930 10.457 9.243 1.00 0.00 N ATOM 177 CA ASN A 17 0.085 11.260 9.958 1.00 0.00 C ATOM 178 C ASN A 17 1.515 10.968 9.489 1.00 0.00 C ATOM 179 O ASN A 17 1.794 9.845 9.068 1.00 0.00 O ATOM 180 CB ASN A 17 -0.040 11.026 11.465 1.00 0.00 C ATOM 181 CG ASN A 17 -0.634 12.262 12.140 1.00 0.00 C ATOM 182 OD1 ASN A 17 -0.061 13.342 12.124 1.00 0.00 O ATOM 183 ND2 ASN A 17 -1.774 12.113 12.775 1.00 0.00 N ATOM 0 H ASN A 17 -0.750 9.453 9.266 1.00 0.00 H new ATOM 0 HA ASN A 17 -0.110 12.307 9.727 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -0.672 10.159 11.655 1.00 0.00 H new ATOM 0 HB3 ASN A 17 0.940 10.805 11.889 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -2.193 12.904 13.264 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -2.240 11.206 12.780 1.00 0.00 H new ATOM 187 N SER A 18 2.374 11.989 9.580 1.00 0.00 N ATOM 188 CA SER A 18 3.811 11.994 9.182 1.00 0.00 C ATOM 189 C SER A 18 4.061 11.816 7.670 1.00 0.00 C ATOM 190 O SER A 18 4.864 12.514 7.051 1.00 0.00 O ATOM 191 CB SER A 18 4.617 10.971 10.002 1.00 0.00 C ATOM 192 OG SER A 18 5.974 10.865 9.560 1.00 0.00 O ATOM 0 H SER A 18 2.081 12.892 9.953 1.00 0.00 H new ATOM 0 HA SER A 18 4.167 12.998 9.413 1.00 0.00 H new ATOM 0 HB2 SER A 18 4.602 11.259 11.053 1.00 0.00 H new ATOM 0 HB3 SER A 18 4.138 9.995 9.932 1.00 0.00 H new ATOM 0 HG SER A 18 6.447 10.206 10.110 1.00 0.00 H new ATOM 195 N GLU A 19 3.369 10.839 7.104 1.00 0.00 N ATOM 196 CA GLU A 19 3.296 10.565 5.661 1.00 0.00 C ATOM 197 C GLU A 19 2.561 11.685 4.905 1.00 0.00 C ATOM 198 O GLU A 19 1.559 12.222 5.373 1.00 0.00 O ATOM 199 CB GLU A 19 2.612 9.206 5.471 1.00 0.00 C ATOM 200 CG GLU A 19 1.157 9.147 5.949 1.00 0.00 C ATOM 201 CD GLU A 19 0.696 7.704 6.119 1.00 0.00 C ATOM 202 OE1 GLU A 19 0.171 7.149 5.131 1.00 0.00 O ATOM 203 OE2 GLU A 19 0.818 7.216 7.264 1.00 0.00 O ATOM 0 H GLU A 19 2.816 10.182 7.654 1.00 0.00 H new ATOM 0 HA GLU A 19 4.301 10.533 5.240 1.00 0.00 H new ATOM 0 HB2 GLU A 19 2.643 8.944 4.413 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.186 8.448 6.004 1.00 0.00 H new ATOM 0 HG2 GLU A 19 1.060 9.678 6.896 1.00 0.00 H new ATOM 0 HG3 GLU A 19 0.514 9.656 5.231 1.00 0.00 H new ATOM 205 N ALA A 20 3.111 11.989 3.733 1.00 0.00 N ATOM 206 CA ALA A 20 2.601 12.983 2.761 1.00 0.00 C ATOM 207 C ALA A 20 3.457 12.912 1.481 1.00 0.00 C ATOM 208 O ALA A 20 3.340 11.920 0.768 1.00 0.00 O ATOM 209 CB ALA A 20 2.525 14.404 3.355 1.00 0.00 C ATOM 0 H ALA A 20 3.965 11.534 3.409 1.00 0.00 H new ATOM 0 HA ALA A 20 1.571 12.736 2.505 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.145 15.094 2.601 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.857 14.403 4.216 1.00 0.00 H new ATOM 0 HB3 ALA A 20 3.520 14.721 3.668 1.00 0.00 H new ATOM 211 N LYS A 21 4.521 13.716 1.414 1.00 0.00 N ATOM 212 CA LYS A 21 5.475 13.799 0.282 1.00 0.00 C ATOM 213 C LYS A 21 5.971 12.447 -0.275 1.00 0.00 C ATOM 214 O LYS A 21 5.381 11.935 -1.225 1.00 0.00 O ATOM 215 CB LYS A 21 6.640 14.757 0.610 1.00 0.00 C ATOM 216 CG LYS A 21 7.193 14.615 2.037 1.00 0.00 C ATOM 217 CD LYS A 21 8.680 14.961 2.171 1.00 0.00 C ATOM 218 CE LYS A 21 9.589 13.767 1.858 1.00 0.00 C ATOM 219 NZ LYS A 21 9.718 13.477 0.421 1.00 0.00 N ATOM 0 H LYS A 21 4.760 14.356 2.172 1.00 0.00 H new ATOM 0 HA LYS A 21 4.896 14.215 -0.542 1.00 0.00 H new ATOM 0 HB2 LYS A 21 7.449 14.583 -0.100 1.00 0.00 H new ATOM 0 HB3 LYS A 21 6.303 15.783 0.464 1.00 0.00 H new ATOM 0 HG2 LYS A 21 6.620 15.260 2.703 1.00 0.00 H new ATOM 0 HG3 LYS A 21 7.038 13.590 2.375 1.00 0.00 H new ATOM 0 HD2 LYS A 21 8.921 15.784 1.498 1.00 0.00 H new ATOM 0 HD3 LYS A 21 8.879 15.310 3.184 1.00 0.00 H new ATOM 0 HE2 LYS A 21 10.580 13.959 2.270 1.00 0.00 H new ATOM 0 HE3 LYS A 21 9.199 12.884 2.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 10.681 13.140 0.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 9.031 12.744 0.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 9.533 14.342 -0.126 1.00 0.00 H new ATOM 224 N TYR A 22 6.986 11.858 0.361 1.00 0.00 N ATOM 225 CA TYR A 22 7.569 10.545 0.002 1.00 0.00 C ATOM 226 C TYR A 22 6.521 9.435 -0.198 1.00 0.00 C ATOM 227 O TYR A 22 6.412 8.883 -1.290 1.00 0.00 O ATOM 228 CB TYR A 22 8.612 10.149 1.064 1.00 0.00 C ATOM 229 CG TYR A 22 8.064 9.821 2.464 1.00 0.00 C ATOM 230 CD1 TYR A 22 7.333 10.734 3.221 1.00 0.00 C ATOM 231 CD2 TYR A 22 8.278 8.545 2.961 1.00 0.00 C ATOM 232 CE1 TYR A 22 6.815 10.366 4.457 1.00 0.00 C ATOM 233 CE2 TYR A 22 7.752 8.169 4.191 1.00 0.00 C ATOM 234 CZ TYR A 22 7.029 9.083 4.946 1.00 0.00 C ATOM 235 OH TYR A 22 6.552 8.739 6.168 1.00 0.00 O ATOM 0 H TYR A 22 7.445 12.287 1.165 1.00 0.00 H new ATOM 0 HA TYR A 22 8.050 10.656 -0.970 1.00 0.00 H new ATOM 0 HB2 TYR A 22 9.161 9.281 0.699 1.00 0.00 H new ATOM 0 HB3 TYR A 22 9.330 10.963 1.159 1.00 0.00 H new ATOM 0 HD1 TYR A 22 7.168 11.733 2.845 1.00 0.00 H new ATOM 0 HD2 TYR A 22 8.858 7.837 2.388 1.00 0.00 H new ATOM 0 HE1 TYR A 22 6.246 11.077 5.037 1.00 0.00 H new ATOM 0 HE2 TYR A 22 7.906 7.166 4.560 1.00 0.00 H new ATOM 0 HH TYR A 22 6.055 7.897 6.100 1.00 0.00 H new ATOM 242 N TYR A 23 5.600 9.352 0.760 1.00 0.00 N ATOM 243 CA TYR A 23 4.447 8.436 0.723 1.00 0.00 C ATOM 244 C TYR A 23 3.656 8.549 -0.594 1.00 0.00 C ATOM 245 O TYR A 23 3.805 7.688 -1.452 1.00 0.00 O ATOM 246 CB TYR A 23 3.561 8.700 1.940 1.00 0.00 C ATOM 247 CG TYR A 23 3.149 7.389 2.610 1.00 0.00 C ATOM 248 CD1 TYR A 23 3.994 6.804 3.545 1.00 0.00 C ATOM 249 CD2 TYR A 23 1.924 6.802 2.315 1.00 0.00 C ATOM 250 CE1 TYR A 23 3.624 5.623 4.173 1.00 0.00 C ATOM 251 CE2 TYR A 23 1.557 5.614 2.934 1.00 0.00 C ATOM 252 CZ TYR A 23 2.426 5.008 3.837 1.00 0.00 C ATOM 253 OH TYR A 23 2.301 3.681 4.081 1.00 0.00 O ATOM 0 H TYR A 23 5.629 9.927 1.602 1.00 0.00 H new ATOM 0 HA TYR A 23 4.814 7.410 0.763 1.00 0.00 H new ATOM 0 HB2 TYR A 23 4.095 9.326 2.655 1.00 0.00 H new ATOM 0 HB3 TYR A 23 2.672 9.252 1.635 1.00 0.00 H new ATOM 0 HD1 TYR A 23 4.939 7.269 3.783 1.00 0.00 H new ATOM 0 HD2 TYR A 23 1.258 7.269 1.605 1.00 0.00 H new ATOM 0 HE1 TYR A 23 4.267 5.184 4.921 1.00 0.00 H new ATOM 0 HE2 TYR A 23 0.601 5.162 2.715 1.00 0.00 H new ATOM 0 HH TYR A 23 2.107 3.211 3.243 1.00 0.00 H new ATOM 260 N LEU A 24 3.066 9.715 -0.857 1.00 0.00 N ATOM 261 CA LEU A 24 2.292 9.964 -2.091 1.00 0.00 C ATOM 262 C LEU A 24 3.129 9.793 -3.369 1.00 0.00 C ATOM 263 O LEU A 24 2.832 8.901 -4.155 1.00 0.00 O ATOM 264 CB LEU A 24 1.637 11.351 -2.070 1.00 0.00 C ATOM 265 CG LEU A 24 0.618 11.541 -0.936 1.00 0.00 C ATOM 266 CD1 LEU A 24 0.154 12.997 -0.915 1.00 0.00 C ATOM 267 CD2 LEU A 24 -0.591 10.611 -1.080 1.00 0.00 C ATOM 0 H LEU A 24 3.106 10.517 -0.228 1.00 0.00 H new ATOM 0 HA LEU A 24 1.511 9.204 -2.112 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.415 12.108 -1.976 1.00 0.00 H new ATOM 0 HB3 LEU A 24 1.139 11.522 -3.025 1.00 0.00 H new ATOM 0 HG LEU A 24 1.111 11.286 0.002 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -0.569 13.137 -0.112 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.011 13.650 -0.749 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.311 13.244 -1.869 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -1.282 10.783 -0.255 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.096 10.814 -2.025 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.256 9.574 -1.063 1.00 0.00 H new ATOM 269 N ASN A 25 4.314 10.401 -3.391 1.00 0.00 N ATOM 270 CA ASN A 25 5.240 10.345 -4.544 1.00 0.00 C ATOM 271 C ASN A 25 5.678 8.916 -4.932 1.00 0.00 C ATOM 272 O ASN A 25 5.939 8.648 -6.102 1.00 0.00 O ATOM 273 CB ASN A 25 6.443 11.241 -4.221 1.00 0.00 C ATOM 274 CG ASN A 25 7.442 11.421 -5.370 1.00 0.00 C ATOM 275 OD1 ASN A 25 8.632 11.176 -5.242 1.00 0.00 O ATOM 276 ND2 ASN A 25 6.991 11.953 -6.484 1.00 0.00 N ATOM 0 H ASN A 25 4.670 10.952 -2.610 1.00 0.00 H new ATOM 0 HA ASN A 25 4.712 10.708 -5.426 1.00 0.00 H new ATOM 0 HB2 ASN A 25 6.076 12.223 -3.921 1.00 0.00 H new ATOM 0 HB3 ASN A 25 6.970 10.822 -3.364 1.00 0.00 H new ATOM 0 HD21 ASN A 25 7.635 12.163 -7.246 1.00 0.00 H new ATOM 0 HD22 ASN A 25 5.997 12.156 -6.586 1.00 0.00 H new ATOM 280 N ILE A 26 5.724 8.022 -3.944 1.00 0.00 N ATOM 281 CA ILE A 26 6.162 6.625 -4.132 1.00 0.00 C ATOM 282 C ILE A 26 5.018 5.574 -4.120 1.00 0.00 C ATOM 283 O ILE A 26 5.135 4.566 -4.810 1.00 0.00 O ATOM 284 CB ILE A 26 7.398 6.414 -3.213 1.00 0.00 C ATOM 285 CG1 ILE A 26 8.637 7.099 -3.803 1.00 0.00 C ATOM 286 CG2 ILE A 26 7.809 4.975 -2.909 1.00 0.00 C ATOM 287 CD1 ILE A 26 8.871 8.516 -3.277 1.00 0.00 C ATOM 0 H ILE A 26 5.459 8.240 -2.984 1.00 0.00 H new ATOM 0 HA ILE A 26 6.496 6.437 -5.152 1.00 0.00 H new ATOM 0 HB ILE A 26 7.057 6.849 -2.274 1.00 0.00 H new ATOM 0 HG12 ILE A 26 9.515 6.491 -3.584 1.00 0.00 H new ATOM 0 HG13 ILE A 26 8.537 7.136 -4.888 1.00 0.00 H new ATOM 0 HG21 ILE A 26 8.684 4.976 -2.259 1.00 0.00 H new ATOM 0 HG22 ILE A 26 6.988 4.459 -2.412 1.00 0.00 H new ATOM 0 HG23 ILE A 26 8.050 4.461 -3.840 1.00 0.00 H new ATOM 0 HD11 ILE A 26 9.765 8.933 -3.741 1.00 0.00 H new ATOM 0 HD12 ILE A 26 8.011 9.141 -3.519 1.00 0.00 H new ATOM 0 HD13 ILE A 26 9.004 8.485 -2.196 1.00 0.00 H new ATOM 289 N ILE A 27 3.875 5.834 -3.472 1.00 0.00 N ATOM 290 CA ILE A 27 2.699 4.920 -3.524 1.00 0.00 C ATOM 291 C ILE A 27 1.587 5.333 -4.521 1.00 0.00 C ATOM 292 O ILE A 27 0.986 4.478 -5.172 1.00 0.00 O ATOM 293 CB ILE A 27 2.116 4.612 -2.120 1.00 0.00 C ATOM 294 CG1 ILE A 27 1.212 3.367 -2.206 1.00 0.00 C ATOM 295 CG2 ILE A 27 1.414 5.819 -1.470 1.00 0.00 C ATOM 296 CD1 ILE A 27 0.575 2.868 -0.903 1.00 0.00 C ATOM 0 H ILE A 27 3.728 6.667 -2.902 1.00 0.00 H new ATOM 0 HA ILE A 27 3.112 3.995 -3.927 1.00 0.00 H new ATOM 0 HB ILE A 27 2.947 4.395 -1.448 1.00 0.00 H new ATOM 0 HG12 ILE A 27 0.410 3.581 -2.913 1.00 0.00 H new ATOM 0 HG13 ILE A 27 1.800 2.552 -2.628 1.00 0.00 H new ATOM 0 HG21 ILE A 27 1.030 5.533 -0.491 1.00 0.00 H new ATOM 0 HG22 ILE A 27 2.126 6.636 -1.356 1.00 0.00 H new ATOM 0 HG23 ILE A 27 0.588 6.144 -2.103 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -0.034 1.988 -1.109 1.00 0.00 H new ATOM 0 HD12 ILE A 27 1.359 2.608 -0.191 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -0.053 3.653 -0.481 1.00 0.00 H new ATOM 298 N GLU A 28 1.317 6.634 -4.611 1.00 0.00 N ATOM 299 CA GLU A 28 0.219 7.212 -5.415 1.00 0.00 C ATOM 300 C GLU A 28 0.597 7.189 -6.906 1.00 0.00 C ATOM 301 O GLU A 28 1.316 8.047 -7.412 1.00 0.00 O ATOM 302 CB GLU A 28 -0.070 8.616 -4.866 1.00 0.00 C ATOM 303 CG GLU A 28 -1.110 9.446 -5.622 1.00 0.00 C ATOM 304 CD GLU A 28 -1.149 10.861 -5.037 1.00 0.00 C ATOM 305 OE1 GLU A 28 -0.276 11.667 -5.420 1.00 0.00 O ATOM 306 OE2 GLU A 28 -2.016 11.092 -4.167 1.00 0.00 O ATOM 0 H GLU A 28 1.864 7.340 -4.118 1.00 0.00 H new ATOM 0 HA GLU A 28 -0.698 6.629 -5.337 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -0.400 8.516 -3.832 1.00 0.00 H new ATOM 0 HB3 GLU A 28 0.866 9.175 -4.850 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -0.860 9.485 -6.682 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -2.092 8.980 -5.543 1.00 0.00 H new ATOM 308 N GLY A 29 0.060 6.157 -7.558 1.00 0.00 N ATOM 309 CA GLY A 29 0.398 5.798 -8.948 1.00 0.00 C ATOM 310 C GLY A 29 0.769 4.311 -9.031 1.00 0.00 C ATOM 311 O GLY A 29 0.252 3.500 -8.262 1.00 0.00 O ATOM 0 H GLY A 29 -0.631 5.536 -7.136 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -0.448 6.007 -9.602 1.00 0.00 H new ATOM 0 HA3 GLY A 29 1.230 6.409 -9.298 1.00 0.00 H new ATOM 313 N GLU A 30 1.638 3.988 -9.986 1.00 0.00 N ATOM 314 CA GLU A 30 2.022 2.588 -10.253 1.00 0.00 C ATOM 315 C GLU A 30 3.535 2.356 -10.375 1.00 0.00 C ATOM 316 O GLU A 30 4.244 3.044 -11.107 1.00 0.00 O ATOM 317 CB GLU A 30 1.262 2.076 -11.487 1.00 0.00 C ATOM 318 CG GLU A 30 1.434 0.565 -11.692 1.00 0.00 C ATOM 319 CD GLU A 30 0.202 -0.107 -12.304 1.00 0.00 C ATOM 320 OE1 GLU A 30 -0.279 0.380 -13.350 1.00 0.00 O ATOM 321 OE2 GLU A 30 -0.216 -1.127 -11.711 1.00 0.00 O ATOM 0 H GLU A 30 2.094 4.670 -10.592 1.00 0.00 H new ATOM 0 HA GLU A 30 1.734 2.008 -9.376 1.00 0.00 H new ATOM 0 HB2 GLU A 30 0.202 2.307 -11.380 1.00 0.00 H new ATOM 0 HB3 GLU A 30 1.616 2.603 -12.373 1.00 0.00 H new ATOM 0 HG2 GLU A 30 2.294 0.389 -12.338 1.00 0.00 H new ATOM 0 HG3 GLU A 30 1.655 0.098 -10.732 1.00 0.00 H new ATOM 323 N TRP A 31 3.961 1.333 -9.643 1.00 0.00 N ATOM 324 CA TRP A 31 5.311 0.737 -9.702 1.00 0.00 C ATOM 325 C TRP A 31 5.507 0.016 -11.039 1.00 0.00 C ATOM 326 O TRP A 31 4.613 -0.709 -11.471 1.00 0.00 O ATOM 327 CB TRP A 31 5.460 -0.291 -8.576 1.00 0.00 C ATOM 328 CG TRP A 31 5.422 0.377 -7.203 1.00 0.00 C ATOM 329 CD1 TRP A 31 4.370 1.002 -6.670 1.00 0.00 C ATOM 330 CD2 TRP A 31 6.538 0.762 -6.481 1.00 0.00 C ATOM 331 NE1 TRP A 31 4.775 1.806 -5.692 1.00 0.00 N ATOM 332 CE2 TRP A 31 6.087 1.682 -5.553 1.00 0.00 C ATOM 333 CE3 TRP A 31 7.879 0.399 -6.510 1.00 0.00 C ATOM 334 CZ2 TRP A 31 6.978 2.271 -4.677 1.00 0.00 C ATOM 335 CZ3 TRP A 31 8.773 0.992 -5.625 1.00 0.00 C ATOM 336 CH2 TRP A 31 8.327 1.960 -4.740 1.00 0.00 C ATOM 0 H TRP A 31 3.359 0.870 -8.962 1.00 0.00 H new ATOM 0 HA TRP A 31 6.051 1.530 -9.597 1.00 0.00 H new ATOM 0 HB2 TRP A 31 4.660 -1.028 -8.646 1.00 0.00 H new ATOM 0 HB3 TRP A 31 6.400 -0.829 -8.695 1.00 0.00 H new ATOM 0 HD1 TRP A 31 3.345 0.874 -6.985 1.00 0.00 H new ATOM 0 HE1 TRP A 31 4.175 2.418 -5.139 1.00 0.00 H new ATOM 0 HE3 TRP A 31 8.226 -0.340 -7.217 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 6.622 2.976 -3.941 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 9.812 0.699 -5.628 1.00 0.00 H new ATOM 0 HH2 TRP A 31 9.030 2.472 -4.100 1.00 0.00 H new ATOM 344 N HIS A 32 6.733 0.095 -11.559 1.00 0.00 N ATOM 345 CA HIS A 32 7.159 -0.526 -12.838 1.00 0.00 C ATOM 346 C HIS A 32 6.455 0.064 -14.083 1.00 0.00 C ATOM 347 O HIS A 32 5.299 0.485 -13.996 1.00 0.00 O ATOM 348 CB HIS A 32 6.986 -2.058 -12.818 1.00 0.00 C ATOM 349 CG HIS A 32 7.860 -2.738 -11.762 1.00 0.00 C ATOM 350 ND1 HIS A 32 7.474 -3.109 -10.545 1.00 0.00 N ATOM 351 CD2 HIS A 32 9.150 -3.035 -11.896 1.00 0.00 C ATOM 352 CE1 HIS A 32 8.528 -3.634 -9.927 1.00 0.00 C ATOM 353 NE2 HIS A 32 9.565 -3.584 -10.761 1.00 0.00 N ATOM 0 H HIS A 32 7.487 0.605 -11.098 1.00 0.00 H new ATOM 0 HA HIS A 32 8.219 -0.286 -12.925 1.00 0.00 H new ATOM 0 HB2 HIS A 32 5.940 -2.299 -12.628 1.00 0.00 H new ATOM 0 HB3 HIS A 32 7.232 -2.460 -13.801 1.00 0.00 H new ATOM 0 HD2 HIS A 32 9.754 -2.860 -12.774 1.00 0.00 H new ATOM 0 HE1 HIS A 32 8.541 -4.032 -8.923 1.00 0.00 H new ATOM 0 HE2 HIS A 32 10.511 -3.910 -10.563 1.00 0.00 H new ATOM 356 N PRO A 33 7.149 0.147 -15.232 1.00 0.00 N ATOM 357 CA PRO A 33 6.583 0.744 -16.457 1.00 0.00 C ATOM 358 C PRO A 33 5.453 -0.123 -17.029 1.00 0.00 C ATOM 359 O PRO A 33 5.478 -1.348 -16.912 1.00 0.00 O ATOM 360 CB PRO A 33 7.767 0.852 -17.418 1.00 0.00 C ATOM 361 CG PRO A 33 8.647 -0.338 -17.033 1.00 0.00 C ATOM 362 CD PRO A 33 8.487 -0.420 -15.514 1.00 0.00 C ATOM 0 HA PRO A 33 6.127 1.716 -16.272 1.00 0.00 H new ATOM 0 HB2 PRO A 33 7.446 0.795 -18.458 1.00 0.00 H new ATOM 0 HB3 PRO A 33 8.296 1.798 -17.299 1.00 0.00 H new ATOM 0 HG2 PRO A 33 8.319 -1.255 -17.522 1.00 0.00 H new ATOM 0 HG3 PRO A 33 9.686 -0.179 -17.320 1.00 0.00 H new ATOM 0 HD2 PRO A 33 8.559 -1.450 -15.166 1.00 0.00 H new ATOM 0 HD3 PRO A 33 9.269 0.144 -15.005 1.00 0.00 H new ATOM 363 N GLN A 34 4.556 0.532 -17.759 1.00 0.00 N ATOM 364 CA GLN A 34 3.400 -0.104 -18.438 1.00 0.00 C ATOM 365 C GLN A 34 3.754 -1.155 -19.517 1.00 0.00 C ATOM 366 O GLN A 34 2.921 -1.991 -19.857 1.00 0.00 O ATOM 367 CB GLN A 34 2.507 0.967 -19.084 1.00 0.00 C ATOM 368 CG GLN A 34 2.017 2.073 -18.137 1.00 0.00 C ATOM 369 CD GLN A 34 3.090 3.146 -17.917 1.00 0.00 C ATOM 370 OE1 GLN A 34 3.389 3.957 -18.777 1.00 0.00 O ATOM 371 NE2 GLN A 34 3.800 3.090 -16.811 1.00 0.00 N ATOM 0 H GLN A 34 4.601 1.540 -17.907 1.00 0.00 H new ATOM 0 HA GLN A 34 2.885 -0.642 -17.642 1.00 0.00 H new ATOM 0 HB2 GLN A 34 3.058 1.430 -19.902 1.00 0.00 H new ATOM 0 HB3 GLN A 34 1.638 0.476 -19.522 1.00 0.00 H new ATOM 0 HG2 GLN A 34 1.120 2.534 -18.549 1.00 0.00 H new ATOM 0 HG3 GLN A 34 1.738 1.635 -17.179 1.00 0.00 H new ATOM 0 HE21 GLN A 34 3.560 2.416 -16.084 1.00 0.00 H new ATOM 0 HE22 GLN A 34 4.591 3.721 -16.680 1.00 0.00 H new ATOM 375 N ASP A 35 5.055 -1.342 -19.732 1.00 0.00 N ATOM 376 CA ASP A 35 5.614 -2.105 -20.865 1.00 0.00 C ATOM 377 C ASP A 35 5.855 -3.594 -20.530 1.00 0.00 C ATOM 378 O ASP A 35 6.810 -4.215 -20.992 1.00 0.00 O ATOM 379 CB ASP A 35 6.905 -1.400 -21.304 1.00 0.00 C ATOM 380 CG ASP A 35 6.943 -1.154 -22.816 1.00 0.00 C ATOM 381 OD1 ASP A 35 5.903 -0.711 -23.352 1.00 0.00 O ATOM 382 OD2 ASP A 35 8.043 -1.320 -23.384 1.00 0.00 O ATOM 0 H ASP A 35 5.772 -0.962 -19.114 1.00 0.00 H new ATOM 0 HA ASP A 35 4.892 -2.120 -21.681 1.00 0.00 H new ATOM 0 HB2 ASP A 35 6.994 -0.448 -20.780 1.00 0.00 H new ATOM 0 HB3 ASP A 35 7.764 -2.005 -21.014 1.00 0.00 H new ATOM 384 N LEU A 36 4.909 -4.148 -19.776 1.00 0.00 N ATOM 385 CA LEU A 36 4.914 -5.549 -19.310 1.00 0.00 C ATOM 386 C LEU A 36 3.492 -5.940 -18.875 1.00 0.00 C ATOM 387 O LEU A 36 3.080 -5.677 -17.746 1.00 0.00 O ATOM 388 CB LEU A 36 5.908 -5.705 -18.145 1.00 0.00 C ATOM 389 CG LEU A 36 6.142 -7.163 -17.729 1.00 0.00 C ATOM 390 CD1 LEU A 36 7.023 -7.902 -18.742 1.00 0.00 C ATOM 391 CD2 LEU A 36 6.751 -7.219 -16.326 1.00 0.00 C ATOM 0 H LEU A 36 4.091 -3.628 -19.459 1.00 0.00 H new ATOM 0 HA LEU A 36 5.229 -6.210 -20.117 1.00 0.00 H new ATOM 0 HB2 LEU A 36 6.861 -5.260 -18.430 1.00 0.00 H new ATOM 0 HB3 LEU A 36 5.539 -5.145 -17.286 1.00 0.00 H new ATOM 0 HG LEU A 36 5.177 -7.670 -17.711 1.00 0.00 H new ATOM 0 HD11 LEU A 36 7.168 -8.932 -18.415 1.00 0.00 H new ATOM 0 HD12 LEU A 36 6.538 -7.896 -19.718 1.00 0.00 H new ATOM 0 HD13 LEU A 36 7.990 -7.405 -18.814 1.00 0.00 H new ATOM 0 HD21 LEU A 36 6.913 -8.259 -16.041 1.00 0.00 H new ATOM 0 HD22 LEU A 36 7.703 -6.689 -16.321 1.00 0.00 H new ATOM 0 HD23 LEU A 36 6.071 -6.749 -15.615 1.00 0.00 H new ATOM 393 N ASN A 37 2.713 -6.309 -19.896 1.00 0.00 N ATOM 394 CA ASN A 37 1.313 -6.806 -19.844 1.00 0.00 C ATOM 395 C ASN A 37 0.217 -5.837 -19.338 1.00 0.00 C ATOM 396 O ASN A 37 -0.870 -5.817 -19.910 1.00 0.00 O ATOM 397 CB ASN A 37 1.278 -8.151 -19.095 1.00 0.00 C ATOM 398 CG ASN A 37 0.036 -9.037 -19.294 1.00 0.00 C ATOM 399 OD1 ASN A 37 -0.176 -10.001 -18.574 1.00 0.00 O ATOM 400 ND2 ASN A 37 -0.777 -8.779 -20.298 1.00 0.00 N ATOM 0 H ASN A 37 3.058 -6.270 -20.855 1.00 0.00 H new ATOM 0 HA ASN A 37 1.029 -6.923 -20.890 1.00 0.00 H new ATOM 0 HB2 ASN A 37 2.154 -8.726 -19.394 1.00 0.00 H new ATOM 0 HB3 ASN A 37 1.379 -7.946 -18.029 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -1.580 -9.383 -20.472 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -0.603 -7.975 -20.901 1.00 0.00 H new ATOM 404 N ASP A 38 0.592 -4.965 -18.403 1.00 0.00 N ATOM 405 CA ASP A 38 -0.234 -3.999 -17.638 1.00 0.00 C ATOM 406 C ASP A 38 -0.992 -4.677 -16.487 1.00 0.00 C ATOM 407 O ASP A 38 -2.191 -4.950 -16.521 1.00 0.00 O ATOM 408 CB ASP A 38 -1.133 -3.107 -18.506 1.00 0.00 C ATOM 409 CG ASP A 38 -0.292 -2.098 -19.287 1.00 0.00 C ATOM 410 OD1 ASP A 38 0.002 -1.039 -18.688 1.00 0.00 O ATOM 411 OD2 ASP A 38 0.053 -2.408 -20.447 1.00 0.00 O ATOM 0 H ASP A 38 1.572 -4.902 -18.127 1.00 0.00 H new ATOM 0 HA ASP A 38 0.475 -3.304 -17.188 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -1.708 -3.723 -19.198 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -1.850 -2.581 -17.876 1.00 0.00 H new ATOM 413 N SER A 39 -0.183 -4.917 -15.461 1.00 0.00 N ATOM 414 CA SER A 39 -0.524 -5.682 -14.243 1.00 0.00 C ATOM 415 C SER A 39 0.228 -5.355 -12.917 1.00 0.00 C ATOM 416 O SER A 39 0.066 -6.131 -11.971 1.00 0.00 O ATOM 417 CB SER A 39 -0.227 -7.143 -14.610 1.00 0.00 C ATOM 418 OG SER A 39 1.163 -7.236 -14.954 1.00 0.00 O ATOM 0 H SER A 39 0.777 -4.572 -15.444 1.00 0.00 H new ATOM 0 HA SER A 39 -1.556 -5.427 -14.001 1.00 0.00 H new ATOM 0 HB2 SER A 39 -0.458 -7.802 -13.773 1.00 0.00 H new ATOM 0 HB3 SER A 39 -0.849 -7.461 -15.447 1.00 0.00 H new ATOM 0 HG SER A 39 1.324 -8.071 -15.442 1.00 0.00 H new ATOM 421 N PRO A 40 1.009 -4.269 -12.747 1.00 0.00 N ATOM 422 CA PRO A 40 1.852 -4.095 -11.542 1.00 0.00 C ATOM 423 C PRO A 40 1.087 -3.617 -10.284 1.00 0.00 C ATOM 424 O PRO A 40 -0.020 -4.077 -10.006 1.00 0.00 O ATOM 425 CB PRO A 40 2.980 -3.154 -11.992 1.00 0.00 C ATOM 426 CG PRO A 40 2.841 -3.030 -13.508 1.00 0.00 C ATOM 427 CD PRO A 40 1.340 -3.200 -13.705 1.00 0.00 C ATOM 0 HA PRO A 40 2.243 -5.050 -11.193 1.00 0.00 H new ATOM 0 HB2 PRO A 40 2.892 -2.180 -11.511 1.00 0.00 H new ATOM 0 HB3 PRO A 40 3.956 -3.556 -11.721 1.00 0.00 H new ATOM 0 HG2 PRO A 40 3.193 -2.065 -13.872 1.00 0.00 H new ATOM 0 HG3 PRO A 40 3.411 -3.796 -14.034 1.00 0.00 H new ATOM 0 HD2 PRO A 40 0.796 -2.280 -13.490 1.00 0.00 H new ATOM 0 HD3 PRO A 40 1.095 -3.483 -14.729 1.00 0.00 H new ATOM 428 N LEU A 41 1.730 -2.748 -9.503 1.00 0.00 N ATOM 429 CA LEU A 41 1.257 -2.243 -8.199 1.00 0.00 C ATOM 430 C LEU A 41 0.810 -0.777 -8.303 1.00 0.00 C ATOM 431 O LEU A 41 1.646 0.111 -8.472 1.00 0.00 O ATOM 432 CB LEU A 41 2.416 -2.433 -7.200 1.00 0.00 C ATOM 433 CG LEU A 41 2.296 -1.765 -5.821 1.00 0.00 C ATOM 434 CD1 LEU A 41 1.121 -2.288 -4.996 1.00 0.00 C ATOM 435 CD2 LEU A 41 3.594 -1.982 -5.042 1.00 0.00 C ATOM 0 H LEU A 41 2.634 -2.356 -9.767 1.00 0.00 H new ATOM 0 HA LEU A 41 0.379 -2.792 -7.858 1.00 0.00 H new ATOM 0 HB2 LEU A 41 2.549 -3.503 -7.042 1.00 0.00 H new ATOM 0 HB3 LEU A 41 3.327 -2.065 -7.671 1.00 0.00 H new ATOM 0 HG LEU A 41 2.114 -0.705 -5.996 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.094 -1.775 -4.035 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.190 -2.104 -5.532 1.00 0.00 H new ATOM 0 HD13 LEU A 41 1.240 -3.359 -4.832 1.00 0.00 H new ATOM 0 HD21 LEU A 41 3.514 -1.510 -4.063 1.00 0.00 H new ATOM 0 HD22 LEU A 41 3.769 -3.051 -4.916 1.00 0.00 H new ATOM 0 HD23 LEU A 41 4.426 -1.540 -5.591 1.00 0.00 H new ATOM 437 N LYS A 42 -0.506 -0.580 -8.358 1.00 0.00 N ATOM 438 CA LYS A 42 -1.105 0.769 -8.357 1.00 0.00 C ATOM 439 C LYS A 42 -1.976 1.063 -7.125 1.00 0.00 C ATOM 440 O LYS A 42 -2.691 0.204 -6.603 1.00 0.00 O ATOM 441 CB LYS A 42 -1.891 1.085 -9.642 1.00 0.00 C ATOM 442 CG LYS A 42 -3.239 0.372 -9.801 1.00 0.00 C ATOM 443 CD LYS A 42 -4.212 1.259 -10.586 1.00 0.00 C ATOM 444 CE LYS A 42 -4.141 1.068 -12.103 1.00 0.00 C ATOM 445 NZ LYS A 42 -4.935 -0.096 -12.520 1.00 0.00 N ATOM 0 H LYS A 42 -1.188 -1.337 -8.404 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.242 1.434 -8.313 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -2.065 2.160 -9.682 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -1.266 0.831 -10.498 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -3.099 -0.576 -10.320 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -3.655 0.141 -8.821 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -5.228 1.051 -10.251 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -4.006 2.303 -10.351 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -4.509 1.963 -12.604 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -3.103 0.935 -12.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -4.873 -0.207 -13.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -4.567 -0.951 -12.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -5.928 0.045 -12.246 1.00 0.00 H new ATOM 450 N PHE A 43 -1.858 2.308 -6.685 1.00 0.00 N ATOM 451 CA PHE A 43 -2.680 2.886 -5.608 1.00 0.00 C ATOM 452 C PHE A 43 -3.218 4.284 -5.956 1.00 0.00 C ATOM 453 O PHE A 43 -2.492 5.149 -6.449 1.00 0.00 O ATOM 454 CB PHE A 43 -1.857 2.863 -4.315 1.00 0.00 C ATOM 455 CG PHE A 43 -2.392 3.767 -3.204 1.00 0.00 C ATOM 456 CD1 PHE A 43 -3.367 3.330 -2.318 1.00 0.00 C ATOM 457 CD2 PHE A 43 -1.841 5.033 -3.065 1.00 0.00 C ATOM 458 CE1 PHE A 43 -3.765 4.155 -1.276 1.00 0.00 C ATOM 459 CE2 PHE A 43 -2.234 5.855 -2.022 1.00 0.00 C ATOM 460 CZ PHE A 43 -3.198 5.416 -1.124 1.00 0.00 C ATOM 0 H PHE A 43 -1.178 2.965 -7.068 1.00 0.00 H new ATOM 0 HA PHE A 43 -3.577 2.282 -5.471 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -1.816 1.839 -3.944 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -0.834 3.160 -4.546 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -3.813 2.354 -2.439 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -1.103 5.379 -3.773 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -4.518 3.817 -0.580 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -1.792 6.834 -1.907 1.00 0.00 H new ATOM 0 HZ PHE A 43 -3.507 6.053 -0.308 1.00 0.00 H new ATOM 467 N ILE A 44 -4.485 4.462 -5.599 1.00 0.00 N ATOM 468 CA ILE A 44 -5.258 5.708 -5.779 1.00 0.00 C ATOM 469 C ILE A 44 -5.938 6.162 -4.465 1.00 0.00 C ATOM 470 O ILE A 44 -6.090 5.398 -3.509 1.00 0.00 O ATOM 471 CB ILE A 44 -6.232 5.522 -6.971 1.00 0.00 C ATOM 472 CG1 ILE A 44 -6.818 6.842 -7.492 1.00 0.00 C ATOM 473 CG2 ILE A 44 -7.360 4.523 -6.691 1.00 0.00 C ATOM 474 CD1 ILE A 44 -5.768 7.740 -8.157 1.00 0.00 C ATOM 0 H ILE A 44 -5.032 3.722 -5.159 1.00 0.00 H new ATOM 0 HA ILE A 44 -4.589 6.532 -6.027 1.00 0.00 H new ATOM 0 HB ILE A 44 -5.604 5.101 -7.756 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -7.609 6.624 -8.209 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -7.278 7.381 -6.664 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -8.002 4.444 -7.568 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -6.933 3.546 -6.464 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -7.949 4.868 -5.841 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -6.242 8.658 -8.505 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -4.989 7.985 -7.435 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -5.326 7.216 -9.004 1.00 0.00 H new ATOM 476 N LEU A 45 -6.299 7.440 -4.437 1.00 0.00 N ATOM 477 CA LEU A 45 -7.008 8.073 -3.308 1.00 0.00 C ATOM 478 C LEU A 45 -8.470 8.359 -3.680 1.00 0.00 C ATOM 479 O LEU A 45 -8.753 8.830 -4.781 1.00 0.00 O ATOM 480 CB LEU A 45 -6.346 9.407 -2.928 1.00 0.00 C ATOM 481 CG LEU A 45 -5.062 9.308 -2.091 1.00 0.00 C ATOM 482 CD1 LEU A 45 -3.864 8.794 -2.889 1.00 0.00 C ATOM 483 CD2 LEU A 45 -4.746 10.675 -1.482 1.00 0.00 C ATOM 0 H LEU A 45 -6.109 8.084 -5.205 1.00 0.00 H new ATOM 0 HA LEU A 45 -6.963 7.381 -2.467 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -6.117 9.950 -3.845 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -7.071 10.005 -2.376 1.00 0.00 H new ATOM 0 HG LEU A 45 -5.244 8.576 -1.304 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -2.989 8.747 -2.241 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -4.084 7.799 -3.275 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -3.664 9.469 -3.721 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.835 10.607 -0.888 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.605 11.405 -2.279 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.572 10.989 -0.845 1.00 0.00 H new ATOM 485 N SER A 46 -9.349 8.089 -2.714 1.00 0.00 N ATOM 486 CA SER A 46 -10.796 8.428 -2.700 1.00 0.00 C ATOM 487 C SER A 46 -11.666 7.581 -3.647 1.00 0.00 C ATOM 488 O SER A 46 -11.193 6.706 -4.372 1.00 0.00 O ATOM 489 CB SER A 46 -11.044 9.927 -2.984 1.00 0.00 C ATOM 490 OG SER A 46 -10.974 10.197 -4.391 1.00 0.00 O ATOM 0 H SER A 46 -9.066 7.599 -1.865 1.00 0.00 H new ATOM 0 HA SER A 46 -11.108 8.187 -1.684 1.00 0.00 H new ATOM 0 HB2 SER A 46 -12.023 10.217 -2.602 1.00 0.00 H new ATOM 0 HB3 SER A 46 -10.304 10.529 -2.456 1.00 0.00 H new ATOM 0 HG SER A 46 -10.126 9.860 -4.747 1.00 0.00 H new ATOM 493 N THR A 47 -12.963 7.893 -3.609 1.00 0.00 N ATOM 494 CA THR A 47 -13.986 7.468 -4.588 1.00 0.00 C ATOM 495 C THR A 47 -14.232 5.950 -4.495 1.00 0.00 C ATOM 496 O THR A 47 -14.721 5.499 -3.462 1.00 0.00 O ATOM 497 CB THR A 47 -13.615 7.998 -5.995 1.00 0.00 C ATOM 498 OG1 THR A 47 -13.279 9.390 -5.925 1.00 0.00 O ATOM 499 CG2 THR A 47 -14.771 7.843 -6.990 1.00 0.00 C ATOM 0 H THR A 47 -13.354 8.473 -2.867 1.00 0.00 H new ATOM 0 HA THR A 47 -14.953 7.914 -4.355 1.00 0.00 H new ATOM 0 HB THR A 47 -12.766 7.408 -6.340 1.00 0.00 H new ATOM 0 HG1 THR A 47 -12.435 9.499 -5.438 1.00 0.00 H new ATOM 0 HG21 THR A 47 -14.467 8.227 -7.964 1.00 0.00 H new ATOM 0 HG22 THR A 47 -15.033 6.789 -7.082 1.00 0.00 H new ATOM 0 HG23 THR A 47 -15.636 8.402 -6.633 1.00 0.00 H new ATOM 502 N SER A 48 -13.779 5.167 -5.480 1.00 0.00 N ATOM 503 CA SER A 48 -13.974 3.695 -5.582 1.00 0.00 C ATOM 504 C SER A 48 -15.270 3.182 -4.916 1.00 0.00 C ATOM 505 O SER A 48 -15.253 2.357 -4.003 1.00 0.00 O ATOM 506 CB SER A 48 -12.740 2.992 -4.999 1.00 0.00 C ATOM 507 OG SER A 48 -11.557 3.398 -5.699 1.00 0.00 O ATOM 0 H SER A 48 -13.245 5.544 -6.263 1.00 0.00 H new ATOM 0 HA SER A 48 -14.089 3.456 -6.639 1.00 0.00 H new ATOM 0 HB2 SER A 48 -12.644 3.231 -3.940 1.00 0.00 H new ATOM 0 HB3 SER A 48 -12.861 1.911 -5.072 1.00 0.00 H new ATOM 0 HG SER A 48 -10.970 2.624 -5.826 1.00 0.00 H new ATOM 510 N ASP A 49 -16.396 3.720 -5.397 1.00 0.00 N ATOM 511 CA ASP A 49 -17.739 3.631 -4.776 1.00 0.00 C ATOM 512 C ASP A 49 -17.744 4.342 -3.405 1.00 0.00 C ATOM 513 O ASP A 49 -18.101 5.514 -3.325 1.00 0.00 O ATOM 514 CB ASP A 49 -18.262 2.179 -4.720 1.00 0.00 C ATOM 515 CG ASP A 49 -19.719 2.009 -4.260 1.00 0.00 C ATOM 516 OD1 ASP A 49 -20.154 2.775 -3.371 1.00 0.00 O ATOM 517 OD2 ASP A 49 -20.372 1.105 -4.822 1.00 0.00 O ATOM 0 H ASP A 49 -16.406 4.254 -6.266 1.00 0.00 H new ATOM 0 HA ASP A 49 -18.449 4.160 -5.412 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -18.160 1.738 -5.712 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -17.620 1.607 -4.049 1.00 0.00 H new ATOM 519 N ASP A 50 -17.210 3.660 -2.395 1.00 0.00 N ATOM 520 CA ASP A 50 -17.165 4.135 -0.998 1.00 0.00 C ATOM 521 C ASP A 50 -15.803 3.876 -0.321 1.00 0.00 C ATOM 522 O ASP A 50 -15.711 3.819 0.904 1.00 0.00 O ATOM 523 CB ASP A 50 -18.340 3.514 -0.222 1.00 0.00 C ATOM 524 CG ASP A 50 -18.326 1.979 -0.167 1.00 0.00 C ATOM 525 OD1 ASP A 50 -18.649 1.369 -1.212 1.00 0.00 O ATOM 526 OD2 ASP A 50 -18.031 1.454 0.925 1.00 0.00 O ATOM 0 H ASP A 50 -16.785 2.741 -2.518 1.00 0.00 H new ATOM 0 HA ASP A 50 -17.273 5.220 -0.994 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -18.332 3.902 0.797 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -19.274 3.840 -0.679 1.00 0.00 H new ATOM 528 N SER A 51 -14.742 3.937 -1.133 1.00 0.00 N ATOM 529 CA SER A 51 -13.357 3.533 -0.780 1.00 0.00 C ATOM 530 C SER A 51 -13.257 2.066 -0.327 1.00 0.00 C ATOM 531 O SER A 51 -14.253 1.343 -0.347 1.00 0.00 O ATOM 532 CB SER A 51 -12.757 4.440 0.299 1.00 0.00 C ATOM 533 OG SER A 51 -12.783 5.811 -0.106 1.00 0.00 O ATOM 0 H SER A 51 -14.816 4.280 -2.091 1.00 0.00 H new ATOM 0 HA SER A 51 -12.782 3.641 -1.700 1.00 0.00 H new ATOM 0 HB2 SER A 51 -13.314 4.322 1.228 1.00 0.00 H new ATOM 0 HB3 SER A 51 -11.730 4.137 0.502 1.00 0.00 H new ATOM 0 HG SER A 51 -13.087 6.367 0.641 1.00 0.00 H new ATOM 536 N ASP A 52 -12.025 1.576 -0.174 1.00 0.00 N ATOM 537 CA ASP A 52 -11.810 0.206 0.341 1.00 0.00 C ATOM 538 C ASP A 52 -10.790 0.037 1.489 1.00 0.00 C ATOM 539 O ASP A 52 -11.002 -0.786 2.380 1.00 0.00 O ATOM 540 CB ASP A 52 -11.530 -0.731 -0.840 1.00 0.00 C ATOM 541 CG ASP A 52 -12.045 -2.157 -0.606 1.00 0.00 C ATOM 542 OD1 ASP A 52 -12.914 -2.344 0.273 1.00 0.00 O ATOM 543 OD2 ASP A 52 -11.445 -3.066 -1.225 1.00 0.00 O ATOM 0 H ASP A 52 -11.171 2.089 -0.392 1.00 0.00 H new ATOM 0 HA ASP A 52 -12.739 -0.068 0.841 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -11.996 -0.325 -1.738 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -10.456 -0.764 -1.025 1.00 0.00 H new ATOM 545 N TYR A 53 -9.708 0.815 1.457 1.00 0.00 N ATOM 546 CA TYR A 53 -8.697 0.831 2.534 1.00 0.00 C ATOM 547 C TYR A 53 -8.880 2.010 3.503 1.00 0.00 C ATOM 548 O TYR A 53 -8.814 3.180 3.120 1.00 0.00 O ATOM 549 CB TYR A 53 -7.286 0.861 1.932 1.00 0.00 C ATOM 550 CG TYR A 53 -6.533 -0.470 2.047 1.00 0.00 C ATOM 551 CD1 TYR A 53 -6.536 -1.190 3.236 1.00 0.00 C ATOM 552 CD2 TYR A 53 -5.903 -1.007 0.930 1.00 0.00 C ATOM 553 CE1 TYR A 53 -5.983 -2.461 3.292 1.00 0.00 C ATOM 554 CE2 TYR A 53 -5.322 -2.268 0.990 1.00 0.00 C ATOM 555 CZ TYR A 53 -5.405 -3.012 2.159 1.00 0.00 C ATOM 556 OH TYR A 53 -5.035 -4.319 2.166 1.00 0.00 O ATOM 0 H TYR A 53 -9.501 1.453 0.689 1.00 0.00 H new ATOM 0 HA TYR A 53 -8.834 -0.083 3.112 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -7.356 1.138 0.880 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -6.706 1.639 2.428 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -6.972 -0.756 4.124 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -5.865 -0.441 0.011 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -6.003 -3.020 4.216 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -4.807 -2.668 0.129 1.00 0.00 H new ATOM 0 HH TYR A 53 -4.647 -4.554 1.297 1.00 0.00 H new ATOM 563 N ILE A 54 -9.048 1.652 4.772 1.00 0.00 N ATOM 564 CA ILE A 54 -9.205 2.597 5.897 1.00 0.00 C ATOM 565 C ILE A 54 -7.921 2.661 6.746 1.00 0.00 C ATOM 566 O ILE A 54 -7.424 1.668 7.278 1.00 0.00 O ATOM 567 CB ILE A 54 -10.506 2.343 6.707 1.00 0.00 C ATOM 568 CG1 ILE A 54 -10.649 3.230 7.953 1.00 0.00 C ATOM 569 CG2 ILE A 54 -10.758 0.881 7.079 1.00 0.00 C ATOM 570 CD1 ILE A 54 -11.192 4.624 7.636 1.00 0.00 C ATOM 0 H ILE A 54 -9.081 0.675 5.065 1.00 0.00 H new ATOM 0 HA ILE A 54 -9.339 3.598 5.488 1.00 0.00 H new ATOM 0 HB ILE A 54 -11.280 2.630 5.995 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -11.313 2.741 8.666 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -9.677 3.326 8.437 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -11.688 0.804 7.642 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -10.833 0.282 6.171 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -9.933 0.513 7.689 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -11.270 5.202 8.557 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -10.516 5.130 6.946 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -12.177 4.535 7.179 1.00 0.00 H new ATOM 572 N CYS A 55 -7.349 3.861 6.698 1.00 0.00 N ATOM 573 CA CYS A 55 -6.085 4.251 7.347 1.00 0.00 C ATOM 574 C CYS A 55 -6.165 4.178 8.877 1.00 0.00 C ATOM 575 O CYS A 55 -6.996 4.838 9.498 1.00 0.00 O ATOM 576 CB CYS A 55 -5.713 5.664 6.875 1.00 0.00 C ATOM 577 SG CYS A 55 -4.302 6.429 7.757 1.00 0.00 S ATOM 0 H CYS A 55 -7.770 4.633 6.181 1.00 0.00 H new ATOM 0 HA CYS A 55 -5.308 3.544 7.057 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -5.479 5.625 5.811 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -6.584 6.309 6.987 1.00 0.00 H new ATOM 579 N LYS A 56 -5.314 3.317 9.430 1.00 0.00 N ATOM 580 CA LYS A 56 -5.124 3.203 10.888 1.00 0.00 C ATOM 581 C LYS A 56 -4.179 4.296 11.426 1.00 0.00 C ATOM 582 O LYS A 56 -4.649 5.325 11.903 1.00 0.00 O ATOM 583 CB LYS A 56 -4.657 1.789 11.266 1.00 0.00 C ATOM 584 CG LYS A 56 -5.655 1.000 12.118 1.00 0.00 C ATOM 585 CD LYS A 56 -5.932 1.671 13.466 1.00 0.00 C ATOM 586 CE LYS A 56 -6.742 0.763 14.392 1.00 0.00 C ATOM 587 NZ LYS A 56 -6.961 1.430 15.682 1.00 0.00 N ATOM 0 H LYS A 56 -4.734 2.676 8.888 1.00 0.00 H new ATOM 0 HA LYS A 56 -6.088 3.367 11.370 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -4.456 1.230 10.352 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -3.714 1.864 11.808 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -6.591 0.893 11.570 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -5.268 -0.005 12.288 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -4.988 1.930 13.945 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -6.474 2.603 13.304 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -7.700 0.521 13.931 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -6.214 -0.178 14.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -7.512 0.807 16.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -6.044 1.640 16.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -7.483 2.317 15.530 1.00 0.00 H new ATOM 592 N TYR A 57 -2.867 4.105 11.252 1.00 0.00 N ATOM 593 CA TYR A 57 -1.815 5.001 11.793 1.00 0.00 C ATOM 594 C TYR A 57 -0.414 4.666 11.255 1.00 0.00 C ATOM 595 O TYR A 57 -0.164 3.561 10.769 1.00 0.00 O ATOM 596 CB TYR A 57 -1.783 4.961 13.333 1.00 0.00 C ATOM 597 CG TYR A 57 -1.447 3.574 13.893 1.00 0.00 C ATOM 598 CD1 TYR A 57 -2.459 2.637 14.049 1.00 0.00 C ATOM 599 CD2 TYR A 57 -0.121 3.191 14.052 1.00 0.00 C ATOM 600 CE1 TYR A 57 -2.149 1.311 14.313 1.00 0.00 C ATOM 601 CE2 TYR A 57 0.195 1.868 14.325 1.00 0.00 C ATOM 602 CZ TYR A 57 -0.821 0.930 14.452 1.00 0.00 C ATOM 603 OH TYR A 57 -0.520 -0.368 14.707 1.00 0.00 O ATOM 0 H TYR A 57 -2.491 3.316 10.726 1.00 0.00 H new ATOM 0 HA TYR A 57 -2.079 6.003 11.456 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -1.047 5.680 13.694 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -2.752 5.277 13.719 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -3.492 2.941 13.965 1.00 0.00 H new ATOM 0 HD2 TYR A 57 0.666 3.925 13.963 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -2.937 0.579 14.410 1.00 0.00 H new ATOM 0 HE2 TYR A 57 1.227 1.569 14.438 1.00 0.00 H new ATOM 0 HH TYR A 57 0.452 -0.471 14.775 1.00 0.00 H new ATOM 610 N ILE A 58 0.436 5.690 11.258 1.00 0.00 N ATOM 611 CA ILE A 58 1.866 5.565 10.906 1.00 0.00 C ATOM 612 C ILE A 58 2.663 4.929 12.063 1.00 0.00 C ATOM 613 O ILE A 58 2.528 5.298 13.230 1.00 0.00 O ATOM 614 CB ILE A 58 2.444 6.923 10.437 1.00 0.00 C ATOM 615 CG1 ILE A 58 3.869 6.766 9.887 1.00 0.00 C ATOM 616 CG2 ILE A 58 2.427 7.989 11.543 1.00 0.00 C ATOM 617 CD1 ILE A 58 4.043 7.382 8.497 1.00 0.00 C ATOM 0 H ILE A 58 0.159 6.640 11.505 1.00 0.00 H new ATOM 0 HA ILE A 58 1.962 4.886 10.059 1.00 0.00 H new ATOM 0 HB ILE A 58 1.789 7.267 9.636 1.00 0.00 H new ATOM 0 HG12 ILE A 58 4.572 7.233 10.576 1.00 0.00 H new ATOM 0 HG13 ILE A 58 4.121 5.707 9.843 1.00 0.00 H new ATOM 0 HG21 ILE A 58 2.844 8.920 11.158 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.401 8.158 11.869 1.00 0.00 H new ATOM 0 HG23 ILE A 58 3.025 7.646 12.388 1.00 0.00 H new ATOM 0 HD11 ILE A 58 5.070 7.239 8.162 1.00 0.00 H new ATOM 0 HD12 ILE A 58 3.362 6.898 7.797 1.00 0.00 H new ATOM 0 HD13 ILE A 58 3.820 8.448 8.541 1.00 0.00 H new ATOM 619 N ASN A 59 3.594 4.081 11.662 1.00 0.00 N ATOM 620 CA ASN A 59 4.483 3.334 12.564 1.00 0.00 C ATOM 621 C ASN A 59 5.897 3.926 12.467 1.00 0.00 C ATOM 622 O ASN A 59 6.643 3.709 11.505 1.00 0.00 O ATOM 623 CB ASN A 59 4.475 1.842 12.198 1.00 0.00 C ATOM 624 CG ASN A 59 3.086 1.189 12.224 1.00 0.00 C ATOM 625 OD1 ASN A 59 2.109 1.642 11.640 1.00 0.00 O ATOM 626 ND2 ASN A 59 3.024 -0.025 12.716 1.00 0.00 N ATOM 0 H ASN A 59 3.765 3.881 10.677 1.00 0.00 H new ATOM 0 HA ASN A 59 4.134 3.421 13.593 1.00 0.00 H new ATOM 0 HB2 ASN A 59 4.900 1.723 11.201 1.00 0.00 H new ATOM 0 HB3 ASN A 59 5.127 1.308 12.889 1.00 0.00 H new ATOM 0 HD21 ASN A 59 2.172 -0.576 12.609 1.00 0.00 H new ATOM 0 HD22 ASN A 59 3.828 -0.419 13.205 1.00 0.00 H new ATOM 630 N THR A 60 6.142 4.846 13.396 1.00 0.00 N ATOM 631 CA THR A 60 7.422 5.573 13.559 1.00 0.00 C ATOM 632 C THR A 60 8.585 4.667 13.993 1.00 0.00 C ATOM 633 O THR A 60 8.968 4.565 15.156 1.00 0.00 O ATOM 634 CB THR A 60 7.263 6.775 14.505 1.00 0.00 C ATOM 635 OG1 THR A 60 6.350 6.461 15.563 1.00 0.00 O ATOM 636 CG2 THR A 60 6.819 8.017 13.728 1.00 0.00 C ATOM 0 H THR A 60 5.441 5.123 14.083 1.00 0.00 H new ATOM 0 HA THR A 60 7.687 5.948 12.570 1.00 0.00 H new ATOM 0 HB THR A 60 8.230 6.997 14.956 1.00 0.00 H new ATOM 0 HG1 THR A 60 6.260 7.235 16.158 1.00 0.00 H new ATOM 0 HG21 THR A 60 6.712 8.857 14.415 1.00 0.00 H new ATOM 0 HG22 THR A 60 7.566 8.259 12.972 1.00 0.00 H new ATOM 0 HG23 THR A 60 5.863 7.820 13.243 1.00 0.00 H new ATOM 639 N GLU A 61 9.073 3.974 12.971 1.00 0.00 N ATOM 640 CA GLU A 61 10.202 3.018 13.006 1.00 0.00 C ATOM 641 C GLU A 61 10.756 2.733 11.600 1.00 0.00 C ATOM 642 O GLU A 61 11.961 2.565 11.423 1.00 0.00 O ATOM 643 CB GLU A 61 9.765 1.692 13.646 1.00 0.00 C ATOM 644 CG GLU A 61 10.335 1.516 15.059 1.00 0.00 C ATOM 645 CD GLU A 61 11.863 1.360 15.092 1.00 0.00 C ATOM 646 OE1 GLU A 61 12.401 0.680 14.189 1.00 0.00 O ATOM 647 OE2 GLU A 61 12.462 1.931 16.027 1.00 0.00 O ATOM 0 H GLU A 61 8.676 4.061 12.035 1.00 0.00 H new ATOM 0 HA GLU A 61 10.989 3.479 13.603 1.00 0.00 H new ATOM 0 HB2 GLU A 61 8.677 1.652 13.687 1.00 0.00 H new ATOM 0 HB3 GLU A 61 10.091 0.863 13.018 1.00 0.00 H new ATOM 0 HG2 GLU A 61 10.053 2.377 15.665 1.00 0.00 H new ATOM 0 HG3 GLU A 61 9.879 0.639 15.519 1.00 0.00 H new ATOM 649 N HIS A 62 9.846 2.550 10.645 1.00 0.00 N ATOM 650 CA HIS A 62 10.199 2.398 9.221 1.00 0.00 C ATOM 651 C HIS A 62 9.278 3.208 8.289 1.00 0.00 C ATOM 652 O HIS A 62 8.682 2.652 7.376 1.00 0.00 O ATOM 653 CB HIS A 62 10.185 0.899 8.891 1.00 0.00 C ATOM 654 CG HIS A 62 11.576 0.401 8.499 1.00 0.00 C ATOM 655 ND1 HIS A 62 12.679 0.474 9.238 1.00 0.00 N ATOM 656 CD2 HIS A 62 11.886 -0.181 7.345 1.00 0.00 C ATOM 657 CE1 HIS A 62 13.673 -0.067 8.537 1.00 0.00 C ATOM 658 NE2 HIS A 62 13.182 -0.469 7.366 1.00 0.00 N ATOM 0 H HIS A 62 8.844 2.502 10.828 1.00 0.00 H new ATOM 0 HA HIS A 62 11.195 2.807 9.050 1.00 0.00 H new ATOM 0 HB2 HIS A 62 9.826 0.338 9.754 1.00 0.00 H new ATOM 0 HB3 HIS A 62 9.486 0.711 8.076 1.00 0.00 H new ATOM 0 HD1 HIS A 62 12.751 0.873 10.174 1.00 0.00 H new ATOM 0 HD2 HIS A 62 11.204 -0.384 6.533 1.00 0.00 H new ATOM 0 HE1 HIS A 62 14.699 -0.163 8.861 1.00 0.00 H new ATOM 661 N LYS A 63 9.140 4.505 8.593 1.00 0.00 N ATOM 662 CA LYS A 63 8.251 5.506 7.938 1.00 0.00 C ATOM 663 C LYS A 63 7.063 4.936 7.120 1.00 0.00 C ATOM 664 O LYS A 63 6.806 5.281 5.965 1.00 0.00 O ATOM 665 CB LYS A 63 9.078 6.471 7.070 1.00 0.00 C ATOM 666 CG LYS A 63 10.237 7.194 7.762 1.00 0.00 C ATOM 667 CD LYS A 63 11.576 6.553 7.380 1.00 0.00 C ATOM 668 CE LYS A 63 12.564 7.576 6.810 1.00 0.00 C ATOM 669 NZ LYS A 63 12.130 8.126 5.515 1.00 0.00 N ATOM 0 H LYS A 63 9.677 4.923 9.353 1.00 0.00 H new ATOM 0 HA LYS A 63 7.782 6.032 8.770 1.00 0.00 H new ATOM 0 HB2 LYS A 63 9.481 5.910 6.227 1.00 0.00 H new ATOM 0 HB3 LYS A 63 8.404 7.223 6.660 1.00 0.00 H new ATOM 0 HG2 LYS A 63 10.237 8.247 7.479 1.00 0.00 H new ATOM 0 HG3 LYS A 63 10.104 7.155 8.843 1.00 0.00 H new ATOM 0 HD2 LYS A 63 12.013 6.078 8.258 1.00 0.00 H new ATOM 0 HD3 LYS A 63 11.404 5.767 6.645 1.00 0.00 H new ATOM 0 HE2 LYS A 63 12.688 8.391 7.523 1.00 0.00 H new ATOM 0 HE3 LYS A 63 13.540 7.105 6.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 12.905 8.678 5.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 11.874 7.347 4.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 11.304 8.742 5.659 1.00 0.00 H new ATOM 674 N GLN A 64 6.262 4.137 7.820 1.00 0.00 N ATOM 675 CA GLN A 64 5.241 3.258 7.213 1.00 0.00 C ATOM 676 C GLN A 64 3.845 3.447 7.814 1.00 0.00 C ATOM 677 O GLN A 64 3.726 3.716 9.007 1.00 0.00 O ATOM 678 CB GLN A 64 5.643 1.782 7.365 1.00 0.00 C ATOM 679 CG GLN A 64 6.005 1.356 8.794 1.00 0.00 C ATOM 680 CD GLN A 64 5.898 -0.156 9.007 1.00 0.00 C ATOM 681 OE1 GLN A 64 5.187 -0.625 9.882 1.00 0.00 O ATOM 682 NE2 GLN A 64 6.650 -0.943 8.269 1.00 0.00 N ATOM 0 H GLN A 64 6.296 4.074 8.837 1.00 0.00 H new ATOM 0 HA GLN A 64 5.193 3.540 6.161 1.00 0.00 H new ATOM 0 HB2 GLN A 64 4.821 1.158 7.012 1.00 0.00 H new ATOM 0 HB3 GLN A 64 6.495 1.584 6.715 1.00 0.00 H new ATOM 0 HG2 GLN A 64 7.022 1.679 9.018 1.00 0.00 H new ATOM 0 HG3 GLN A 64 5.347 1.865 9.498 1.00 0.00 H new ATOM 0 HE21 GLN A 64 7.242 -0.546 7.540 1.00 0.00 H new ATOM 0 HE22 GLN A 64 6.641 -1.951 8.426 1.00 0.00 H new ATOM 686 N LEU A 65 2.823 3.159 7.019 1.00 0.00 N ATOM 687 CA LEU A 65 1.429 3.157 7.500 1.00 0.00 C ATOM 688 C LEU A 65 0.889 1.726 7.623 1.00 0.00 C ATOM 689 O LEU A 65 1.114 0.862 6.771 1.00 0.00 O ATOM 690 CB LEU A 65 0.564 3.980 6.534 1.00 0.00 C ATOM 691 CG LEU A 65 -0.941 4.034 6.811 1.00 0.00 C ATOM 692 CD1 LEU A 65 -1.250 4.888 8.036 1.00 0.00 C ATOM 693 CD2 LEU A 65 -1.675 4.573 5.583 1.00 0.00 C ATOM 0 H LEU A 65 2.924 2.921 6.032 1.00 0.00 H new ATOM 0 HA LEU A 65 1.395 3.606 8.493 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.943 5.002 6.529 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.708 3.582 5.530 1.00 0.00 H new ATOM 0 HG LEU A 65 -1.287 3.022 7.020 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.327 4.906 8.205 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -0.752 4.465 8.909 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.892 5.904 7.871 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.745 4.609 5.786 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.315 5.576 5.355 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.489 3.918 4.732 1.00 0.00 H new ATOM 695 N THR A 66 0.170 1.540 8.722 1.00 0.00 N ATOM 696 CA THR A 66 -0.687 0.359 8.946 1.00 0.00 C ATOM 697 C THR A 66 -2.132 0.814 8.694 1.00 0.00 C ATOM 698 O THR A 66 -2.537 1.911 9.087 1.00 0.00 O ATOM 699 CB THR A 66 -0.532 -0.184 10.380 1.00 0.00 C ATOM 700 OG1 THR A 66 0.847 -0.459 10.637 1.00 0.00 O ATOM 701 CG2 THR A 66 -1.327 -1.475 10.607 1.00 0.00 C ATOM 0 H THR A 66 0.158 2.204 9.496 1.00 0.00 H new ATOM 0 HA THR A 66 -0.404 -0.452 8.276 1.00 0.00 H new ATOM 0 HB THR A 66 -0.919 0.580 11.055 1.00 0.00 H new ATOM 0 HG1 THR A 66 1.355 0.379 10.630 1.00 0.00 H new ATOM 0 HG21 THR A 66 -1.183 -1.815 11.633 1.00 0.00 H new ATOM 0 HG22 THR A 66 -2.386 -1.286 10.432 1.00 0.00 H new ATOM 0 HG23 THR A 66 -0.978 -2.244 9.918 1.00 0.00 H new ATOM 704 N LEU A 67 -2.847 -0.011 7.938 1.00 0.00 N ATOM 705 CA LEU A 67 -4.245 0.241 7.527 1.00 0.00 C ATOM 706 C LEU A 67 -4.989 -1.058 7.189 1.00 0.00 C ATOM 707 O LEU A 67 -4.377 -2.081 6.887 1.00 0.00 O ATOM 708 CB LEU A 67 -4.335 1.256 6.371 1.00 0.00 C ATOM 709 CG LEU A 67 -3.717 0.874 5.019 1.00 0.00 C ATOM 710 CD1 LEU A 67 -4.254 1.823 3.951 1.00 0.00 C ATOM 711 CD2 LEU A 67 -2.189 0.980 5.025 1.00 0.00 C ATOM 0 H LEU A 67 -2.476 -0.892 7.582 1.00 0.00 H new ATOM 0 HA LEU A 67 -4.745 0.686 8.387 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -5.389 1.478 6.204 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -3.863 2.181 6.703 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.985 -0.163 4.815 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.823 1.564 2.984 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -5.339 1.736 3.900 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -3.983 2.848 4.206 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.801 0.699 4.046 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -1.896 2.005 5.251 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.781 0.311 5.782 1.00 0.00 H new ATOM 713 N TYR A 68 -6.311 -1.004 7.310 1.00 0.00 N ATOM 714 CA TYR A 68 -7.178 -2.188 7.151 1.00 0.00 C ATOM 715 C TYR A 68 -8.244 -2.012 6.061 1.00 0.00 C ATOM 716 O TYR A 68 -8.671 -0.899 5.765 1.00 0.00 O ATOM 717 CB TYR A 68 -7.772 -2.617 8.503 1.00 0.00 C ATOM 718 CG TYR A 68 -8.587 -1.546 9.240 1.00 0.00 C ATOM 719 CD1 TYR A 68 -7.972 -0.400 9.734 1.00 0.00 C ATOM 720 CD2 TYR A 68 -9.947 -1.738 9.447 1.00 0.00 C ATOM 721 CE1 TYR A 68 -8.712 0.565 10.402 1.00 0.00 C ATOM 722 CE2 TYR A 68 -10.687 -0.789 10.139 1.00 0.00 C ATOM 723 CZ TYR A 68 -10.071 0.364 10.610 1.00 0.00 C ATOM 724 OH TYR A 68 -10.803 1.307 11.253 1.00 0.00 O ATOM 0 H TYR A 68 -6.820 -0.145 7.520 1.00 0.00 H new ATOM 0 HA TYR A 68 -6.547 -3.003 6.797 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -8.411 -3.485 8.340 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -6.957 -2.938 9.152 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -6.910 -0.260 9.596 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -10.430 -2.627 9.069 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -8.235 1.466 10.758 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -11.741 -0.947 10.311 1.00 0.00 H new ATOM 0 HH TYR A 68 -11.735 1.012 11.315 1.00 0.00 H new ATOM 731 N ASN A 69 -8.507 -3.105 5.355 1.00 0.00 N ATOM 732 CA ASN A 69 -9.427 -3.121 4.202 1.00 0.00 C ATOM 733 C ASN A 69 -10.800 -3.670 4.609 1.00 0.00 C ATOM 734 O ASN A 69 -10.958 -4.857 4.912 1.00 0.00 O ATOM 735 CB ASN A 69 -8.817 -3.988 3.100 1.00 0.00 C ATOM 736 CG ASN A 69 -9.238 -3.561 1.693 1.00 0.00 C ATOM 737 OD1 ASN A 69 -8.611 -2.758 1.019 1.00 0.00 O ATOM 738 ND2 ASN A 69 -10.369 -4.050 1.251 1.00 0.00 N ATOM 0 H ASN A 69 -8.091 -4.014 5.559 1.00 0.00 H new ATOM 0 HA ASN A 69 -9.569 -2.103 3.839 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -7.730 -3.947 3.175 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -9.109 -5.026 3.260 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -10.729 -3.761 0.342 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -10.890 -4.720 1.816 1.00 0.00 H new ATOM 742 N LYS A 70 -11.799 -2.828 4.377 1.00 0.00 N ATOM 743 CA LYS A 70 -13.187 -3.114 4.787 1.00 0.00 C ATOM 744 C LYS A 70 -14.007 -3.621 3.586 1.00 0.00 C ATOM 745 O LYS A 70 -14.954 -3.001 3.110 1.00 0.00 O ATOM 746 CB LYS A 70 -13.771 -1.854 5.444 1.00 0.00 C ATOM 747 CG LYS A 70 -14.530 -2.195 6.731 1.00 0.00 C ATOM 748 CD LYS A 70 -15.879 -2.879 6.469 1.00 0.00 C ATOM 749 CE LYS A 70 -16.430 -3.579 7.717 1.00 0.00 C ATOM 750 NZ LYS A 70 -16.697 -2.659 8.835 1.00 0.00 N ATOM 0 H LYS A 70 -11.682 -1.932 3.904 1.00 0.00 H new ATOM 0 HA LYS A 70 -13.220 -3.916 5.525 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -12.967 -1.153 5.669 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -14.442 -1.355 4.745 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -13.912 -2.847 7.349 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -14.697 -1.281 7.301 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -16.599 -2.137 6.124 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -15.764 -3.608 5.667 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -17.352 -4.098 7.456 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -15.718 -4.338 8.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -17.067 -3.196 9.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -15.815 -2.181 9.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -17.398 -1.949 8.541 1.00 0.00 H new ATOM 755 N ASN A 71 -13.575 -4.795 3.131 1.00 0.00 N ATOM 756 CA ASN A 71 -14.156 -5.499 1.967 1.00 0.00 C ATOM 757 C ASN A 71 -14.562 -6.933 2.346 1.00 0.00 C ATOM 758 O ASN A 71 -15.630 -7.395 1.961 1.00 0.00 O ATOM 759 CB ASN A 71 -13.140 -5.493 0.819 1.00 0.00 C ATOM 760 CG ASN A 71 -13.783 -5.614 -0.565 1.00 0.00 C ATOM 761 OD1 ASN A 71 -14.341 -4.678 -1.114 1.00 0.00 O ATOM 762 ND2 ASN A 71 -13.607 -6.745 -1.208 1.00 0.00 N ATOM 0 H ASN A 71 -12.800 -5.300 3.560 1.00 0.00 H new ATOM 0 HA ASN A 71 -15.059 -4.982 1.642 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -12.560 -4.571 0.862 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -12.440 -6.317 0.959 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -13.937 -6.842 -2.168 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -13.140 -7.526 -0.747 1.00 0.00 H new ATOM 766 N ASN A 72 -13.574 -7.696 2.823 1.00 0.00 N ATOM 767 CA ASN A 72 -13.835 -8.972 3.524 1.00 0.00 C ATOM 768 C ASN A 72 -14.443 -8.710 4.917 1.00 0.00 C ATOM 769 O ASN A 72 -15.654 -8.561 5.026 1.00 0.00 O ATOM 770 CB ASN A 72 -12.565 -9.834 3.618 1.00 0.00 C ATOM 771 CG ASN A 72 -11.934 -10.209 2.271 1.00 0.00 C ATOM 772 OD1 ASN A 72 -11.818 -9.418 1.345 1.00 0.00 O ATOM 773 ND2 ASN A 72 -11.365 -11.391 2.210 1.00 0.00 N ATOM 0 H ASN A 72 -12.585 -7.459 2.740 1.00 0.00 H new ATOM 0 HA ASN A 72 -14.561 -9.536 2.938 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -11.824 -9.299 4.213 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -12.805 -10.750 4.157 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -10.823 -11.654 1.387 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -11.465 -12.046 2.985 1.00 0.00 H new ATOM 777 N SER A 73 -13.568 -8.309 5.845 1.00 0.00 N ATOM 778 CA SER A 73 -13.879 -8.157 7.287 1.00 0.00 C ATOM 779 C SER A 73 -12.696 -7.541 8.048 1.00 0.00 C ATOM 780 O SER A 73 -12.855 -6.554 8.761 1.00 0.00 O ATOM 781 CB SER A 73 -14.160 -9.488 8.007 1.00 0.00 C ATOM 782 OG SER A 73 -15.125 -10.308 7.350 1.00 0.00 O ATOM 0 H SER A 73 -12.601 -8.074 5.619 1.00 0.00 H new ATOM 0 HA SER A 73 -14.768 -7.526 7.297 1.00 0.00 H new ATOM 0 HB2 SER A 73 -13.227 -10.044 8.099 1.00 0.00 H new ATOM 0 HB3 SER A 73 -14.506 -9.277 9.019 1.00 0.00 H new ATOM 0 HG SER A 73 -14.952 -11.249 7.561 1.00 0.00 H new ATOM 785 N SER A 74 -11.505 -8.119 7.862 1.00 0.00 N ATOM 786 CA SER A 74 -10.334 -7.808 8.712 1.00 0.00 C ATOM 787 C SER A 74 -8.957 -7.921 8.019 1.00 0.00 C ATOM 788 O SER A 74 -8.053 -8.601 8.516 1.00 0.00 O ATOM 789 CB SER A 74 -10.409 -8.732 9.940 1.00 0.00 C ATOM 790 OG SER A 74 -10.101 -10.082 9.557 1.00 0.00 O ATOM 0 H SER A 74 -11.319 -8.806 7.132 1.00 0.00 H new ATOM 0 HA SER A 74 -10.395 -6.753 8.980 1.00 0.00 H new ATOM 0 HB2 SER A 74 -9.709 -8.393 10.704 1.00 0.00 H new ATOM 0 HB3 SER A 74 -11.406 -8.688 10.379 1.00 0.00 H new ATOM 0 HG SER A 74 -9.195 -10.118 9.185 1.00 0.00 H new ATOM 793 N ILE A 75 -8.772 -7.191 6.923 1.00 0.00 N ATOM 794 CA ILE A 75 -7.518 -7.278 6.138 1.00 0.00 C ATOM 795 C ILE A 75 -6.566 -6.161 6.593 1.00 0.00 C ATOM 796 O ILE A 75 -6.739 -5.003 6.224 1.00 0.00 O ATOM 797 CB ILE A 75 -7.746 -7.192 4.615 1.00 0.00 C ATOM 798 CG1 ILE A 75 -8.884 -8.111 4.144 1.00 0.00 C ATOM 799 CG2 ILE A 75 -6.442 -7.561 3.887 1.00 0.00 C ATOM 800 CD1 ILE A 75 -9.439 -7.709 2.772 1.00 0.00 C ATOM 0 H ILE A 75 -9.459 -6.535 6.551 1.00 0.00 H new ATOM 0 HA ILE A 75 -7.082 -8.259 6.326 1.00 0.00 H new ATOM 0 HB ILE A 75 -8.038 -6.169 4.377 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -8.521 -9.138 4.098 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -9.690 -8.090 4.878 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -6.597 -7.502 2.810 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -5.654 -6.867 4.179 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -6.150 -8.576 4.156 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -10.240 -8.392 2.489 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -9.829 -6.692 2.821 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -8.643 -7.756 2.029 1.00 0.00 H new ATOM 802 N VAL A 76 -5.530 -6.562 7.314 1.00 0.00 N ATOM 803 CA VAL A 76 -4.550 -5.635 7.916 1.00 0.00 C ATOM 804 C VAL A 76 -3.296 -5.627 7.026 1.00 0.00 C ATOM 805 O VAL A 76 -2.640 -6.650 6.836 1.00 0.00 O ATOM 806 CB VAL A 76 -4.203 -6.059 9.360 1.00 0.00 C ATOM 807 CG1 VAL A 76 -3.228 -5.078 10.026 1.00 0.00 C ATOM 808 CG2 VAL A 76 -5.449 -6.187 10.244 1.00 0.00 C ATOM 0 H VAL A 76 -5.333 -7.544 7.506 1.00 0.00 H new ATOM 0 HA VAL A 76 -4.972 -4.631 7.973 1.00 0.00 H new ATOM 0 HB VAL A 76 -3.729 -7.037 9.271 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -3.010 -5.413 11.040 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -2.303 -5.038 9.451 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -3.677 -4.086 10.061 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -5.153 -6.487 11.249 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -5.964 -5.227 10.289 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -6.118 -6.938 9.824 1.00 0.00 H new ATOM 810 N ILE A 77 -3.030 -4.465 6.449 1.00 0.00 N ATOM 811 CA ILE A 77 -1.825 -4.250 5.631 1.00 0.00 C ATOM 812 C ILE A 77 -0.900 -3.229 6.319 1.00 0.00 C ATOM 813 O ILE A 77 -1.341 -2.231 6.895 1.00 0.00 O ATOM 814 CB ILE A 77 -2.221 -3.884 4.185 1.00 0.00 C ATOM 815 CG1 ILE A 77 -1.049 -4.123 3.222 1.00 0.00 C ATOM 816 CG2 ILE A 77 -2.745 -2.446 4.069 1.00 0.00 C ATOM 817 CD1 ILE A 77 -1.472 -4.179 1.749 1.00 0.00 C ATOM 0 H ILE A 77 -3.632 -3.645 6.528 1.00 0.00 H new ATOM 0 HA ILE A 77 -1.246 -5.170 5.551 1.00 0.00 H new ATOM 0 HB ILE A 77 -3.042 -4.542 3.901 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -0.314 -3.328 3.351 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -0.556 -5.059 3.487 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -3.010 -2.238 3.032 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -3.626 -2.328 4.700 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -1.971 -1.750 4.393 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -0.595 -4.350 1.125 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -2.184 -4.992 1.606 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -1.938 -3.235 1.468 1.00 0.00 H new ATOM 819 N GLU A 78 0.372 -3.595 6.322 1.00 0.00 N ATOM 820 CA GLU A 78 1.453 -2.773 6.890 1.00 0.00 C ATOM 821 C GLU A 78 2.497 -2.552 5.788 1.00 0.00 C ATOM 822 O GLU A 78 3.031 -3.508 5.226 1.00 0.00 O ATOM 823 CB GLU A 78 2.010 -3.510 8.110 1.00 0.00 C ATOM 824 CG GLU A 78 2.906 -2.624 8.980 1.00 0.00 C ATOM 825 CD GLU A 78 3.318 -3.300 10.298 1.00 0.00 C ATOM 826 OE1 GLU A 78 3.465 -4.544 10.307 1.00 0.00 O ATOM 827 OE2 GLU A 78 3.497 -2.562 11.291 1.00 0.00 O ATOM 0 H GLU A 78 0.696 -4.478 5.929 1.00 0.00 H new ATOM 0 HA GLU A 78 1.114 -1.793 7.226 1.00 0.00 H new ATOM 0 HB2 GLU A 78 1.182 -3.884 8.712 1.00 0.00 H new ATOM 0 HB3 GLU A 78 2.579 -4.378 7.776 1.00 0.00 H new ATOM 0 HG2 GLU A 78 3.802 -2.359 8.418 1.00 0.00 H new ATOM 0 HG3 GLU A 78 2.383 -1.694 9.203 1.00 0.00 H new ATOM 829 N ILE A 79 2.526 -1.314 5.313 1.00 0.00 N ATOM 830 CA ILE A 79 3.316 -0.940 4.122 1.00 0.00 C ATOM 831 C ILE A 79 4.285 0.227 4.345 1.00 0.00 C ATOM 832 O ILE A 79 3.904 1.275 4.863 1.00 0.00 O ATOM 833 CB ILE A 79 2.416 -0.673 2.899 1.00 0.00 C ATOM 834 CG1 ILE A 79 1.202 0.212 3.243 1.00 0.00 C ATOM 835 CG2 ILE A 79 2.053 -2.011 2.241 1.00 0.00 C ATOM 836 CD1 ILE A 79 0.358 0.666 2.047 1.00 0.00 C ATOM 0 H ILE A 79 2.011 -0.538 5.730 1.00 0.00 H new ATOM 0 HA ILE A 79 3.938 -1.812 3.919 1.00 0.00 H new ATOM 0 HB ILE A 79 2.966 -0.085 2.165 1.00 0.00 H new ATOM 0 HG12 ILE A 79 0.559 -0.335 3.933 1.00 0.00 H new ATOM 0 HG13 ILE A 79 1.557 1.097 3.772 1.00 0.00 H new ATOM 0 HG21 ILE A 79 1.416 -1.830 1.375 1.00 0.00 H new ATOM 0 HG22 ILE A 79 2.963 -2.519 1.922 1.00 0.00 H new ATOM 0 HG23 ILE A 79 1.521 -2.636 2.958 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -0.469 1.282 2.399 1.00 0.00 H new ATOM 0 HD12 ILE A 79 0.978 1.246 1.364 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -0.036 -0.207 1.527 1.00 0.00 H new ATOM 838 N PHE A 80 5.504 0.035 3.845 1.00 0.00 N ATOM 839 CA PHE A 80 6.549 1.077 3.880 1.00 0.00 C ATOM 840 C PHE A 80 6.773 1.652 2.482 1.00 0.00 C ATOM 841 O PHE A 80 7.085 0.930 1.534 1.00 0.00 O ATOM 842 CB PHE A 80 7.884 0.595 4.476 1.00 0.00 C ATOM 843 CG PHE A 80 8.983 1.676 4.542 1.00 0.00 C ATOM 844 CD1 PHE A 80 8.684 3.039 4.612 1.00 0.00 C ATOM 845 CD2 PHE A 80 10.316 1.283 4.576 1.00 0.00 C ATOM 846 CE1 PHE A 80 9.694 3.985 4.695 1.00 0.00 C ATOM 847 CE2 PHE A 80 11.327 2.229 4.699 1.00 0.00 C ATOM 848 CZ PHE A 80 11.020 3.582 4.764 1.00 0.00 C ATOM 0 H PHE A 80 5.802 -0.836 3.406 1.00 0.00 H new ATOM 0 HA PHE A 80 6.179 1.855 4.548 1.00 0.00 H new ATOM 0 HB2 PHE A 80 7.703 0.217 5.482 1.00 0.00 H new ATOM 0 HB3 PHE A 80 8.251 -0.242 3.883 1.00 0.00 H new ATOM 0 HD1 PHE A 80 7.653 3.360 4.601 1.00 0.00 H new ATOM 0 HD2 PHE A 80 10.568 0.235 4.506 1.00 0.00 H new ATOM 0 HE1 PHE A 80 9.449 5.037 4.706 1.00 0.00 H new ATOM 0 HE2 PHE A 80 12.358 1.910 4.744 1.00 0.00 H new ATOM 0 HZ PHE A 80 11.807 4.314 4.867 1.00 0.00 H new ATOM 855 N ILE A 81 6.585 2.965 2.435 1.00 0.00 N ATOM 856 CA ILE A 81 6.688 3.778 1.209 1.00 0.00 C ATOM 857 C ILE A 81 7.825 4.806 1.419 1.00 0.00 C ATOM 858 O ILE A 81 7.578 5.829 2.061 1.00 0.00 O ATOM 859 CB ILE A 81 5.354 4.516 0.959 1.00 0.00 C ATOM 860 CG1 ILE A 81 4.057 3.770 1.319 1.00 0.00 C ATOM 861 CG2 ILE A 81 5.290 5.027 -0.475 1.00 0.00 C ATOM 862 CD1 ILE A 81 3.837 2.345 0.811 1.00 0.00 C ATOM 0 H ILE A 81 6.351 3.515 3.261 1.00 0.00 H new ATOM 0 HA ILE A 81 6.900 3.146 0.347 1.00 0.00 H new ATOM 0 HB ILE A 81 5.382 5.338 1.674 1.00 0.00 H new ATOM 0 HG12 ILE A 81 3.988 3.742 2.406 1.00 0.00 H new ATOM 0 HG13 ILE A 81 3.224 4.375 0.962 1.00 0.00 H new ATOM 0 HG21 ILE A 81 4.344 5.544 -0.635 1.00 0.00 H new ATOM 0 HG22 ILE A 81 6.115 5.716 -0.653 1.00 0.00 H new ATOM 0 HG23 ILE A 81 5.365 4.186 -1.165 1.00 0.00 H new ATOM 0 HD11 ILE A 81 2.872 1.979 1.162 1.00 0.00 H new ATOM 0 HD12 ILE A 81 3.853 2.341 -0.279 1.00 0.00 H new ATOM 0 HD13 ILE A 81 4.629 1.698 1.188 1.00 0.00 H new ATOM 864 N PRO A 82 9.078 4.465 1.074 1.00 0.00 N ATOM 865 CA PRO A 82 10.208 5.407 1.203 1.00 0.00 C ATOM 866 C PRO A 82 10.438 6.294 -0.040 1.00 0.00 C ATOM 867 O PRO A 82 9.714 7.268 -0.234 1.00 0.00 O ATOM 868 CB PRO A 82 11.391 4.510 1.591 1.00 0.00 C ATOM 869 CG PRO A 82 11.096 3.193 0.873 1.00 0.00 C ATOM 870 CD PRO A 82 9.573 3.082 0.927 1.00 0.00 C ATOM 0 HA PRO A 82 10.025 6.172 1.958 1.00 0.00 H new ATOM 0 HB2 PRO A 82 12.341 4.938 1.269 1.00 0.00 H new ATOM 0 HB3 PRO A 82 11.453 4.373 2.671 1.00 0.00 H new ATOM 0 HG2 PRO A 82 11.460 3.207 -0.154 1.00 0.00 H new ATOM 0 HG3 PRO A 82 11.576 2.350 1.370 1.00 0.00 H new ATOM 0 HD2 PRO A 82 9.181 2.620 0.021 1.00 0.00 H new ATOM 0 HD3 PRO A 82 9.255 2.461 1.764 1.00 0.00 H new ATOM 871 N ASN A 83 11.455 5.950 -0.832 1.00 0.00 N ATOM 872 CA ASN A 83 11.951 6.620 -2.056 1.00 0.00 C ATOM 873 C ASN A 83 13.116 5.747 -2.583 1.00 0.00 C ATOM 874 O ASN A 83 13.209 4.578 -2.205 1.00 0.00 O ATOM 875 CB ASN A 83 12.417 8.054 -1.735 1.00 0.00 C ATOM 876 CG ASN A 83 12.414 8.974 -2.967 1.00 0.00 C ATOM 877 OD1 ASN A 83 12.634 8.579 -4.103 1.00 0.00 O ATOM 878 ND2 ASN A 83 12.217 10.252 -2.753 1.00 0.00 N ATOM 0 H ASN A 83 12.010 5.120 -0.622 1.00 0.00 H new ATOM 0 HA ASN A 83 11.169 6.713 -2.810 1.00 0.00 H new ATOM 0 HB2 ASN A 83 11.768 8.479 -0.969 1.00 0.00 H new ATOM 0 HB3 ASN A 83 13.423 8.019 -1.317 1.00 0.00 H new ATOM 0 HD21 ASN A 83 12.248 10.910 -3.532 1.00 0.00 H new ATOM 0 HD22 ASN A 83 12.033 10.588 -1.808 1.00 0.00 H new ATOM 882 N ASP A 84 13.934 6.274 -3.499 1.00 0.00 N ATOM 883 CA ASP A 84 15.098 5.587 -4.110 1.00 0.00 C ATOM 884 C ASP A 84 14.773 4.183 -4.651 1.00 0.00 C ATOM 885 O ASP A 84 15.521 3.221 -4.491 1.00 0.00 O ATOM 886 CB ASP A 84 16.309 5.590 -3.163 1.00 0.00 C ATOM 887 CG ASP A 84 16.966 6.970 -3.056 1.00 0.00 C ATOM 888 OD1 ASP A 84 17.051 7.661 -4.096 1.00 0.00 O ATOM 889 OD2 ASP A 84 17.369 7.314 -1.924 1.00 0.00 O ATOM 0 H ASP A 84 13.808 7.222 -3.854 1.00 0.00 H new ATOM 0 HA ASP A 84 15.369 6.169 -4.991 1.00 0.00 H new ATOM 0 HB2 ASP A 84 15.992 5.264 -2.172 1.00 0.00 H new ATOM 0 HB3 ASP A 84 17.044 4.867 -3.516 1.00 0.00 H new ATOM 891 N ASN A 85 13.584 4.125 -5.252 1.00 0.00 N ATOM 892 CA ASN A 85 12.980 2.930 -5.872 1.00 0.00 C ATOM 893 C ASN A 85 12.912 1.736 -4.893 1.00 0.00 C ATOM 894 O ASN A 85 13.603 0.740 -5.062 1.00 0.00 O ATOM 895 CB ASN A 85 13.747 2.594 -7.168 1.00 0.00 C ATOM 896 CG ASN A 85 14.054 3.831 -8.031 1.00 0.00 C ATOM 897 OD1 ASN A 85 15.196 4.177 -8.289 1.00 0.00 O ATOM 898 ND2 ASN A 85 13.053 4.609 -8.383 1.00 0.00 N ATOM 0 H ASN A 85 12.982 4.945 -5.327 1.00 0.00 H new ATOM 0 HA ASN A 85 11.943 3.147 -6.129 1.00 0.00 H new ATOM 0 HB2 ASN A 85 14.683 2.098 -6.910 1.00 0.00 H new ATOM 0 HB3 ASN A 85 13.162 1.886 -7.755 1.00 0.00 H new ATOM 0 HD21 ASN A 85 13.236 5.489 -8.865 1.00 0.00 H new ATOM 0 HD22 ASN A 85 12.094 4.332 -8.174 1.00 0.00 H new ATOM 902 N LYS A 86 12.051 1.866 -3.882 1.00 0.00 N ATOM 903 CA LYS A 86 11.777 0.817 -2.869 1.00 0.00 C ATOM 904 C LYS A 86 10.383 0.958 -2.235 1.00 0.00 C ATOM 905 O LYS A 86 9.908 2.075 -2.027 1.00 0.00 O ATOM 906 CB LYS A 86 12.797 0.879 -1.723 1.00 0.00 C ATOM 907 CG LYS A 86 13.918 -0.158 -1.834 1.00 0.00 C ATOM 908 CD LYS A 86 15.253 0.471 -2.234 1.00 0.00 C ATOM 909 CE LYS A 86 16.355 -0.590 -2.247 1.00 0.00 C ATOM 910 NZ LYS A 86 17.652 -0.005 -2.617 1.00 0.00 N ATOM 0 H LYS A 86 11.508 2.716 -3.732 1.00 0.00 H new ATOM 0 HA LYS A 86 11.842 -0.129 -3.406 1.00 0.00 H new ATOM 0 HB2 LYS A 86 13.238 1.875 -1.696 1.00 0.00 H new ATOM 0 HB3 LYS A 86 12.275 0.736 -0.777 1.00 0.00 H new ATOM 0 HG2 LYS A 86 14.032 -0.670 -0.879 1.00 0.00 H new ATOM 0 HG3 LYS A 86 13.640 -0.913 -2.569 1.00 0.00 H new ATOM 0 HD2 LYS A 86 15.167 0.928 -3.220 1.00 0.00 H new ATOM 0 HD3 LYS A 86 15.512 1.266 -1.535 1.00 0.00 H new ATOM 0 HE2 LYS A 86 16.429 -1.053 -1.263 1.00 0.00 H new ATOM 0 HE3 LYS A 86 16.095 -1.380 -2.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 18.380 -0.747 -2.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 17.585 0.415 -3.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 17.909 0.732 -1.930 1.00 0.00 H new ATOM 915 N ILE A 87 9.731 -0.187 -2.036 1.00 0.00 N ATOM 916 CA ILE A 87 8.464 -0.322 -1.276 1.00 0.00 C ATOM 917 C ILE A 87 8.355 -1.726 -0.641 1.00 0.00 C ATOM 918 O ILE A 87 8.754 -2.729 -1.237 1.00 0.00 O ATOM 919 CB ILE A 87 7.247 0.023 -2.171 1.00 0.00 C ATOM 920 CG1 ILE A 87 5.941 0.158 -1.370 1.00 0.00 C ATOM 921 CG2 ILE A 87 7.076 -0.978 -3.321 1.00 0.00 C ATOM 922 CD1 ILE A 87 4.764 0.735 -2.170 1.00 0.00 C ATOM 0 H ILE A 87 10.069 -1.076 -2.404 1.00 0.00 H new ATOM 0 HA ILE A 87 8.466 0.397 -0.456 1.00 0.00 H new ATOM 0 HB ILE A 87 7.464 1.000 -2.604 1.00 0.00 H new ATOM 0 HG12 ILE A 87 5.659 -0.824 -0.989 1.00 0.00 H new ATOM 0 HG13 ILE A 87 6.124 0.795 -0.505 1.00 0.00 H new ATOM 0 HG21 ILE A 87 6.211 -0.697 -3.922 1.00 0.00 H new ATOM 0 HG22 ILE A 87 7.970 -0.971 -3.945 1.00 0.00 H new ATOM 0 HG23 ILE A 87 6.926 -1.978 -2.914 1.00 0.00 H new ATOM 0 HD11 ILE A 87 3.884 0.796 -1.530 1.00 0.00 H new ATOM 0 HD12 ILE A 87 5.022 1.732 -2.529 1.00 0.00 H new ATOM 0 HD13 ILE A 87 4.550 0.088 -3.020 1.00 0.00 H new ATOM 924 N LEU A 88 7.770 -1.752 0.554 1.00 0.00 N ATOM 925 CA LEU A 88 7.510 -2.995 1.308 1.00 0.00 C ATOM 926 C LEU A 88 6.028 -3.260 1.604 1.00 0.00 C ATOM 927 O LEU A 88 5.321 -2.386 2.101 1.00 0.00 O ATOM 928 CB LEU A 88 8.292 -2.994 2.627 1.00 0.00 C ATOM 929 CG LEU A 88 9.583 -3.814 2.540 1.00 0.00 C ATOM 930 CD1 LEU A 88 10.442 -3.550 3.777 1.00 0.00 C ATOM 931 CD2 LEU A 88 9.264 -5.309 2.461 1.00 0.00 C ATOM 0 H LEU A 88 7.457 -0.910 1.037 1.00 0.00 H new ATOM 0 HA LEU A 88 7.847 -3.800 0.655 1.00 0.00 H new ATOM 0 HB2 LEU A 88 8.534 -1.967 2.902 1.00 0.00 H new ATOM 0 HB3 LEU A 88 7.662 -3.396 3.420 1.00 0.00 H new ATOM 0 HG LEU A 88 10.123 -3.517 1.641 1.00 0.00 H new ATOM 0 HD11 LEU A 88 11.360 -4.134 3.714 1.00 0.00 H new ATOM 0 HD12 LEU A 88 10.689 -2.490 3.829 1.00 0.00 H new ATOM 0 HD13 LEU A 88 9.890 -3.838 4.672 1.00 0.00 H new ATOM 0 HD21 LEU A 88 10.193 -5.876 2.400 1.00 0.00 H new ATOM 0 HD22 LEU A 88 8.712 -5.611 3.351 1.00 0.00 H new ATOM 0 HD23 LEU A 88 8.660 -5.506 1.576 1.00 0.00 H new ATOM 933 N LEU A 89 5.662 -4.523 1.395 1.00 0.00 N ATOM 934 CA LEU A 89 4.307 -5.067 1.634 1.00 0.00 C ATOM 935 C LEU A 89 4.315 -6.110 2.764 1.00 0.00 C ATOM 936 O LEU A 89 5.147 -7.017 2.755 1.00 0.00 O ATOM 937 CB LEU A 89 3.864 -5.787 0.356 1.00 0.00 C ATOM 938 CG LEU A 89 2.378 -6.148 0.295 1.00 0.00 C ATOM 939 CD1 LEU A 89 1.564 -4.969 -0.238 1.00 0.00 C ATOM 940 CD2 LEU A 89 2.177 -7.387 -0.577 1.00 0.00 C ATOM 0 H LEU A 89 6.313 -5.226 1.044 1.00 0.00 H new ATOM 0 HA LEU A 89 3.643 -4.247 1.908 1.00 0.00 H new ATOM 0 HB2 LEU A 89 4.104 -5.156 -0.500 1.00 0.00 H new ATOM 0 HB3 LEU A 89 4.448 -6.701 0.252 1.00 0.00 H new ATOM 0 HG LEU A 89 2.027 -6.373 1.302 1.00 0.00 H new ATOM 0 HD11 LEU A 89 0.509 -5.242 -0.275 1.00 0.00 H new ATOM 0 HD12 LEU A 89 1.693 -4.110 0.421 1.00 0.00 H new ATOM 0 HD13 LEU A 89 1.908 -4.713 -1.240 1.00 0.00 H new ATOM 0 HD21 LEU A 89 1.117 -7.637 -0.615 1.00 0.00 H new ATOM 0 HD22 LEU A 89 2.539 -7.185 -1.585 1.00 0.00 H new ATOM 0 HD23 LEU A 89 2.732 -8.224 -0.153 1.00 0.00 H new ATOM 942 N THR A 90 3.417 -5.930 3.729 1.00 0.00 N ATOM 943 CA THR A 90 3.103 -6.967 4.740 1.00 0.00 C ATOM 944 C THR A 90 1.579 -7.173 4.813 1.00 0.00 C ATOM 945 O THR A 90 0.829 -6.216 5.011 1.00 0.00 O ATOM 946 CB THR A 90 3.639 -6.560 6.127 1.00 0.00 C ATOM 947 OG1 THR A 90 5.011 -6.170 6.020 1.00 0.00 O ATOM 948 CG2 THR A 90 3.523 -7.690 7.156 1.00 0.00 C ATOM 0 H THR A 90 2.882 -5.069 3.842 1.00 0.00 H new ATOM 0 HA THR A 90 3.586 -7.898 4.443 1.00 0.00 H new ATOM 0 HB THR A 90 3.027 -5.727 6.473 1.00 0.00 H new ATOM 0 HG1 THR A 90 5.347 -5.911 6.903 1.00 0.00 H new ATOM 0 HG21 THR A 90 3.914 -7.350 8.115 1.00 0.00 H new ATOM 0 HG22 THR A 90 2.476 -7.972 7.271 1.00 0.00 H new ATOM 0 HG23 THR A 90 4.096 -8.553 6.815 1.00 0.00 H new ATOM 951 N ILE A 91 1.176 -8.443 4.769 1.00 0.00 N ATOM 952 CA ILE A 91 -0.249 -8.849 4.857 1.00 0.00 C ATOM 953 C ILE A 91 -0.505 -9.627 6.166 1.00 0.00 C ATOM 954 O ILE A 91 0.287 -10.476 6.578 1.00 0.00 O ATOM 955 CB ILE A 91 -0.673 -9.695 3.632 1.00 0.00 C ATOM 956 CG1 ILE A 91 -0.322 -8.991 2.310 1.00 0.00 C ATOM 957 CG2 ILE A 91 -2.182 -9.995 3.671 1.00 0.00 C ATOM 958 CD1 ILE A 91 -0.263 -9.941 1.107 1.00 0.00 C ATOM 0 H ILE A 91 1.819 -9.228 4.671 1.00 0.00 H new ATOM 0 HA ILE A 91 -0.856 -7.943 4.860 1.00 0.00 H new ATOM 0 HB ILE A 91 -0.119 -10.632 3.681 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -1.061 -8.215 2.114 1.00 0.00 H new ATOM 0 HG13 ILE A 91 0.642 -8.493 2.417 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -2.457 -10.591 2.801 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -2.420 -10.549 4.579 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -2.740 -9.058 3.661 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -0.011 -9.376 0.210 1.00 0.00 H new ATOM 0 HD12 ILE A 91 0.497 -10.703 1.282 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -1.233 -10.420 0.974 1.00 0.00 H new ATOM 960 N MET A 92 -1.559 -9.191 6.848 1.00 0.00 N ATOM 961 CA MET A 92 -2.147 -9.805 8.060 1.00 0.00 C ATOM 962 C MET A 92 -3.683 -9.815 7.934 1.00 0.00 C ATOM 963 O MET A 92 -4.253 -8.989 7.223 1.00 0.00 O ATOM 964 CB MET A 92 -1.774 -8.968 9.291 1.00 0.00 C ATOM 965 CG MET A 92 -0.267 -8.926 9.572 1.00 0.00 C ATOM 966 SD MET A 92 0.213 -7.736 10.878 1.00 0.00 S ATOM 967 CE MET A 92 -0.509 -8.481 12.326 1.00 0.00 C ATOM 0 H MET A 92 -2.064 -8.352 6.563 1.00 0.00 H new ATOM 0 HA MET A 92 -1.767 -10.821 8.165 1.00 0.00 H new ATOM 0 HB2 MET A 92 -2.137 -7.950 9.151 1.00 0.00 H new ATOM 0 HB3 MET A 92 -2.287 -9.372 10.164 1.00 0.00 H new ATOM 0 HG2 MET A 92 0.066 -9.922 9.862 1.00 0.00 H new ATOM 0 HG3 MET A 92 0.257 -8.670 8.651 1.00 0.00 H new ATOM 0 HE1 MET A 92 0.069 -8.200 13.206 1.00 0.00 H new ATOM 0 HE2 MET A 92 -1.536 -8.134 12.440 1.00 0.00 H new ATOM 0 HE3 MET A 92 -0.503 -9.566 12.219 1.00 0.00 H new ATOM 969 N ASN A 93 -4.348 -10.774 8.576 1.00 0.00 N ATOM 970 CA ASN A 93 -5.827 -10.792 8.625 1.00 0.00 C ATOM 971 C ASN A 93 -6.332 -11.271 9.996 1.00 0.00 C ATOM 972 O ASN A 93 -6.173 -12.438 10.344 1.00 0.00 O ATOM 973 CB ASN A 93 -6.369 -11.657 7.479 1.00 0.00 C ATOM 974 CG ASN A 93 -7.848 -11.390 7.180 1.00 0.00 C ATOM 975 OD1 ASN A 93 -8.233 -10.518 6.416 1.00 0.00 O ATOM 976 ND2 ASN A 93 -8.733 -12.146 7.788 1.00 0.00 N ATOM 0 H ASN A 93 -3.900 -11.547 9.069 1.00 0.00 H new ATOM 0 HA ASN A 93 -6.201 -9.777 8.493 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -5.782 -11.470 6.580 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -6.239 -12.709 7.731 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -9.729 -12.002 7.620 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -8.425 -12.878 8.428 1.00 0.00 H new ATOM 980 N THR A 94 -7.025 -10.379 10.701 1.00 0.00 N ATOM 981 CA THR A 94 -7.497 -10.591 12.093 1.00 0.00 C ATOM 982 C THR A 94 -8.327 -11.874 12.300 1.00 0.00 C ATOM 983 O THR A 94 -8.196 -12.513 13.340 1.00 0.00 O ATOM 984 CB THR A 94 -8.299 -9.377 12.601 1.00 0.00 C ATOM 985 OG1 THR A 94 -7.764 -8.167 12.053 1.00 0.00 O ATOM 986 CG2 THR A 94 -8.281 -9.283 14.131 1.00 0.00 C ATOM 0 H THR A 94 -7.286 -9.467 10.325 1.00 0.00 H new ATOM 0 HA THR A 94 -6.584 -10.712 12.676 1.00 0.00 H new ATOM 0 HB THR A 94 -9.330 -9.512 12.276 1.00 0.00 H new ATOM 0 HG1 THR A 94 -8.282 -7.402 12.381 1.00 0.00 H new ATOM 0 HG21 THR A 94 -8.857 -8.414 14.449 1.00 0.00 H new ATOM 0 HG22 THR A 94 -8.720 -10.185 14.556 1.00 0.00 H new ATOM 0 HG23 THR A 94 -7.252 -9.182 14.477 1.00 0.00 H new ATOM 989 N GLU A 95 -9.189 -12.224 11.341 1.00 0.00 N ATOM 990 CA GLU A 95 -9.917 -13.513 11.399 1.00 0.00 C ATOM 991 C GLU A 95 -9.369 -14.628 10.474 1.00 0.00 C ATOM 992 O GLU A 95 -10.098 -15.541 10.086 1.00 0.00 O ATOM 993 CB GLU A 95 -11.429 -13.296 11.185 1.00 0.00 C ATOM 994 CG GLU A 95 -11.832 -12.953 9.742 1.00 0.00 C ATOM 995 CD GLU A 95 -13.304 -13.252 9.423 1.00 0.00 C ATOM 996 OE1 GLU A 95 -13.871 -14.197 10.014 1.00 0.00 O ATOM 997 OE2 GLU A 95 -13.825 -12.551 8.530 1.00 0.00 O ATOM 0 H GLU A 95 -9.403 -11.650 10.525 1.00 0.00 H new ATOM 0 HA GLU A 95 -9.741 -13.891 12.406 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -11.958 -14.199 11.491 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -11.763 -12.493 11.842 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -11.638 -11.896 9.562 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -11.199 -13.515 9.055 1.00 0.00 H new ATOM 999 N ALA A 96 -8.078 -14.561 10.137 1.00 0.00 N ATOM 1000 CA ALA A 96 -7.415 -15.501 9.200 1.00 0.00 C ATOM 1001 C ALA A 96 -5.871 -15.447 9.317 1.00 0.00 C ATOM 1002 O ALA A 96 -5.350 -15.195 10.400 1.00 0.00 O ATOM 1003 CB ALA A 96 -7.937 -15.282 7.767 1.00 0.00 C ATOM 0 H ALA A 96 -7.448 -13.848 10.506 1.00 0.00 H new ATOM 0 HA ALA A 96 -7.680 -16.520 9.480 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -7.443 -15.978 7.089 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -9.013 -15.453 7.742 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -7.725 -14.259 7.455 1.00 0.00 H new ATOM 1005 N LEU A 97 -5.154 -15.630 8.207 1.00 0.00 N ATOM 1006 CA LEU A 97 -3.686 -15.778 8.181 1.00 0.00 C ATOM 1007 C LEU A 97 -2.969 -14.485 7.761 1.00 0.00 C ATOM 1008 O LEU A 97 -3.568 -13.587 7.170 1.00 0.00 O ATOM 1009 CB LEU A 97 -3.278 -16.914 7.230 1.00 0.00 C ATOM 1010 CG LEU A 97 -3.710 -18.317 7.685 1.00 0.00 C ATOM 1011 CD1 LEU A 97 -5.128 -18.668 7.224 1.00 0.00 C ATOM 1012 CD2 LEU A 97 -2.707 -19.356 7.185 1.00 0.00 C ATOM 0 H LEU A 97 -5.579 -15.681 7.281 1.00 0.00 H new ATOM 0 HA LEU A 97 -3.380 -16.014 9.200 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -3.705 -16.718 6.247 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -2.194 -16.902 7.115 1.00 0.00 H new ATOM 0 HG LEU A 97 -3.724 -18.322 8.775 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -5.386 -19.669 7.571 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -5.834 -17.948 7.638 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -5.175 -18.638 6.135 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -3.018 -20.349 7.511 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -2.666 -19.328 6.096 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -1.720 -19.134 7.591 1.00 0.00 H new ATOM 1014 N GLY A 98 -1.708 -14.390 8.201 1.00 0.00 N ATOM 1015 CA GLY A 98 -0.814 -13.271 7.849 1.00 0.00 C ATOM 1016 C GLY A 98 0.542 -13.376 8.558 1.00 0.00 C ATOM 1017 O GLY A 98 1.097 -14.469 8.685 1.00 0.00 O ATOM 0 H GLY A 98 -1.276 -15.084 8.811 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -0.659 -13.256 6.770 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -1.291 -12.328 8.116 1.00 0.00 H new ATOM 1019 N THR A 99 1.126 -12.203 8.789 1.00 0.00 N ATOM 1020 CA THR A 99 2.370 -11.989 9.575 1.00 0.00 C ATOM 1021 C THR A 99 3.534 -12.872 9.072 1.00 0.00 C ATOM 1022 O THR A 99 4.243 -13.533 9.829 1.00 0.00 O ATOM 1023 CB THR A 99 2.112 -12.182 11.086 1.00 0.00 C ATOM 1024 OG1 THR A 99 0.848 -11.608 11.448 1.00 0.00 O ATOM 1025 CG2 THR A 99 3.189 -11.494 11.933 1.00 0.00 C ATOM 0 H THR A 99 0.741 -11.331 8.425 1.00 0.00 H new ATOM 0 HA THR A 99 2.678 -10.955 9.422 1.00 0.00 H new ATOM 0 HB THR A 99 2.125 -13.255 11.277 1.00 0.00 H new ATOM 0 HG1 THR A 99 0.693 -11.737 12.407 1.00 0.00 H new ATOM 0 HG21 THR A 99 2.975 -11.651 12.990 1.00 0.00 H new ATOM 0 HG22 THR A 99 4.165 -11.916 11.694 1.00 0.00 H new ATOM 0 HG23 THR A 99 3.193 -10.425 11.718 1.00 0.00 H new ATOM 1028 N SER A 100 3.654 -12.895 7.745 1.00 0.00 N ATOM 1029 CA SER A 100 4.619 -13.728 6.987 1.00 0.00 C ATOM 1030 C SER A 100 4.786 -13.375 5.491 1.00 0.00 C ATOM 1031 O SER A 100 5.935 -13.364 5.046 1.00 0.00 O ATOM 1032 CB SER A 100 4.370 -15.239 7.153 1.00 0.00 C ATOM 1033 OG SER A 100 2.998 -15.576 6.913 1.00 0.00 O ATOM 0 H SER A 100 3.069 -12.320 7.138 1.00 0.00 H new ATOM 0 HA SER A 100 5.568 -13.471 7.457 1.00 0.00 H new ATOM 0 HB2 SER A 100 5.007 -15.792 6.463 1.00 0.00 H new ATOM 0 HB3 SER A 100 4.650 -15.546 8.161 1.00 0.00 H new ATOM 0 HG SER A 100 2.431 -15.128 7.575 1.00 0.00 H new ATOM 1036 N PRO A 101 3.738 -13.014 4.722 1.00 0.00 N ATOM 1037 CA PRO A 101 3.915 -12.526 3.340 1.00 0.00 C ATOM 1038 C PRO A 101 4.454 -11.089 3.315 1.00 0.00 C ATOM 1039 O PRO A 101 3.820 -10.163 3.826 1.00 0.00 O ATOM 1040 CB PRO A 101 2.542 -12.662 2.677 1.00 0.00 C ATOM 1041 CG PRO A 101 1.568 -12.508 3.844 1.00 0.00 C ATOM 1042 CD PRO A 101 2.297 -13.169 5.013 1.00 0.00 C ATOM 0 HA PRO A 101 4.661 -13.105 2.795 1.00 0.00 H new ATOM 0 HB2 PRO A 101 2.384 -11.895 1.918 1.00 0.00 H new ATOM 0 HB3 PRO A 101 2.428 -13.627 2.183 1.00 0.00 H new ATOM 0 HG2 PRO A 101 1.351 -11.460 4.049 1.00 0.00 H new ATOM 0 HG3 PRO A 101 0.616 -12.997 3.638 1.00 0.00 H new ATOM 0 HD2 PRO A 101 2.035 -12.693 5.958 1.00 0.00 H new ATOM 0 HD3 PRO A 101 2.026 -14.221 5.100 1.00 0.00 H new ATOM 1043 N ARG A 102 5.717 -11.005 2.908 1.00 0.00 N ATOM 1044 CA ARG A 102 6.456 -9.736 2.795 1.00 0.00 C ATOM 1045 C ARG A 102 7.090 -9.617 1.399 1.00 0.00 C ATOM 1046 O ARG A 102 7.778 -10.531 0.947 1.00 0.00 O ATOM 1047 CB ARG A 102 7.528 -9.716 3.887 1.00 0.00 C ATOM 1048 CG ARG A 102 7.976 -8.289 4.213 1.00 0.00 C ATOM 1049 CD ARG A 102 9.019 -8.243 5.334 1.00 0.00 C ATOM 1050 NE ARG A 102 8.469 -8.802 6.583 1.00 0.00 N ATOM 1051 CZ ARG A 102 8.103 -8.122 7.673 1.00 0.00 C ATOM 1052 NH1 ARG A 102 8.189 -6.800 7.749 1.00 0.00 N ATOM 1053 NH2 ARG A 102 7.680 -8.778 8.742 1.00 0.00 N ATOM 0 H ARG A 102 6.269 -11.821 2.643 1.00 0.00 H new ATOM 0 HA ARG A 102 5.784 -8.888 2.924 1.00 0.00 H new ATOM 0 HB2 ARG A 102 7.139 -10.190 4.788 1.00 0.00 H new ATOM 0 HB3 ARG A 102 8.388 -10.303 3.564 1.00 0.00 H new ATOM 0 HG2 ARG A 102 8.390 -7.828 3.316 1.00 0.00 H new ATOM 0 HG3 ARG A 102 7.108 -7.697 4.504 1.00 0.00 H new ATOM 0 HD2 ARG A 102 9.904 -8.806 5.037 1.00 0.00 H new ATOM 0 HD3 ARG A 102 9.337 -7.214 5.500 1.00 0.00 H new ATOM 0 HE ARG A 102 8.356 -9.815 6.618 1.00 0.00 H new ATOM 0 HH11 ARG A 102 8.545 -6.266 6.956 1.00 0.00 H new ATOM 0 HH12 ARG A 102 7.899 -6.318 8.600 1.00 0.00 H new ATOM 0 HH21 ARG A 102 7.635 -9.797 8.730 1.00 0.00 H new ATOM 0 HH22 ARG A 102 7.399 -8.265 9.577 1.00 0.00 H new ATOM 1060 N MET A 103 6.770 -8.521 0.718 1.00 0.00 N ATOM 1061 CA MET A 103 7.244 -8.284 -0.662 1.00 0.00 C ATOM 1062 C MET A 103 7.973 -6.940 -0.831 1.00 0.00 C ATOM 1063 O MET A 103 7.473 -5.887 -0.430 1.00 0.00 O ATOM 1064 CB MET A 103 6.060 -8.413 -1.629 1.00 0.00 C ATOM 1065 CG MET A 103 6.496 -8.546 -3.092 1.00 0.00 C ATOM 1066 SD MET A 103 5.100 -8.919 -4.214 1.00 0.00 S ATOM 1067 CE MET A 103 5.967 -9.019 -5.767 1.00 0.00 C ATOM 0 H MET A 103 6.183 -7.775 1.091 1.00 0.00 H new ATOM 0 HA MET A 103 7.990 -9.043 -0.895 1.00 0.00 H new ATOM 0 HB2 MET A 103 5.465 -9.283 -1.352 1.00 0.00 H new ATOM 0 HB3 MET A 103 5.416 -7.540 -1.525 1.00 0.00 H new ATOM 0 HG2 MET A 103 6.975 -7.620 -3.410 1.00 0.00 H new ATOM 0 HG3 MET A 103 7.243 -9.335 -3.174 1.00 0.00 H new ATOM 0 HE1 MET A 103 5.259 -9.242 -6.565 1.00 0.00 H new ATOM 0 HE2 MET A 103 6.457 -8.067 -5.972 1.00 0.00 H new ATOM 0 HE3 MET A 103 6.716 -9.809 -5.715 1.00 0.00 H new ATOM 1069 N THR A 104 9.177 -7.057 -1.384 1.00 0.00 N ATOM 1070 CA THR A 104 10.051 -5.934 -1.787 1.00 0.00 C ATOM 1071 C THR A 104 9.937 -5.659 -3.291 1.00 0.00 C ATOM 1072 O THR A 104 10.469 -6.387 -4.131 1.00 0.00 O ATOM 1073 CB THR A 104 11.528 -6.204 -1.459 1.00 0.00 C ATOM 1074 OG1 THR A 104 11.869 -7.567 -1.739 1.00 0.00 O ATOM 1075 CG2 THR A 104 11.891 -5.804 -0.030 1.00 0.00 C ATOM 0 H THR A 104 9.596 -7.967 -1.575 1.00 0.00 H new ATOM 0 HA THR A 104 9.712 -5.068 -1.219 1.00 0.00 H new ATOM 0 HB THR A 104 12.128 -5.569 -2.110 1.00 0.00 H new ATOM 0 HG1 THR A 104 11.596 -7.791 -2.653 1.00 0.00 H new ATOM 0 HG21 THR A 104 12.945 -6.015 0.150 1.00 0.00 H new ATOM 0 HG22 THR A 104 11.706 -4.739 0.108 1.00 0.00 H new ATOM 0 HG23 THR A 104 11.282 -6.372 0.673 1.00 0.00 H new ATOM 1078 N PHE A 105 9.227 -4.582 -3.596 1.00 0.00 N ATOM 1079 CA PHE A 105 9.036 -4.125 -4.987 1.00 0.00 C ATOM 1080 C PHE A 105 9.840 -2.826 -5.133 1.00 0.00 C ATOM 1081 O PHE A 105 9.894 -2.011 -4.210 1.00 0.00 O ATOM 1082 CB PHE A 105 7.572 -3.794 -5.316 1.00 0.00 C ATOM 1083 CG PHE A 105 6.491 -4.607 -4.595 1.00 0.00 C ATOM 1084 CD1 PHE A 105 6.203 -4.304 -3.268 1.00 0.00 C ATOM 1085 CD2 PHE A 105 5.567 -5.334 -5.337 1.00 0.00 C ATOM 1086 CE1 PHE A 105 4.994 -4.677 -2.703 1.00 0.00 C ATOM 1087 CE2 PHE A 105 4.360 -5.725 -4.766 1.00 0.00 C ATOM 1088 CZ PHE A 105 4.070 -5.398 -3.448 1.00 0.00 C ATOM 0 H PHE A 105 8.766 -3.996 -2.900 1.00 0.00 H new ATOM 0 HA PHE A 105 9.354 -4.923 -5.658 1.00 0.00 H new ATOM 0 HB2 PHE A 105 7.406 -2.740 -5.094 1.00 0.00 H new ATOM 0 HB3 PHE A 105 7.430 -3.920 -6.389 1.00 0.00 H new ATOM 0 HD1 PHE A 105 6.930 -3.772 -2.672 1.00 0.00 H new ATOM 0 HD2 PHE A 105 5.787 -5.596 -6.361 1.00 0.00 H new ATOM 0 HE1 PHE A 105 4.770 -4.407 -1.682 1.00 0.00 H new ATOM 0 HE2 PHE A 105 3.645 -6.285 -5.351 1.00 0.00 H new ATOM 0 HZ PHE A 105 3.133 -5.702 -3.006 1.00 0.00 H new ATOM 1095 N ILE A 106 10.541 -2.692 -6.252 1.00 0.00 N ATOM 1096 CA ILE A 106 11.352 -1.483 -6.501 1.00 0.00 C ATOM 1097 C ILE A 106 10.902 -0.776 -7.790 1.00 0.00 C ATOM 1098 O ILE A 106 10.409 -1.419 -8.716 1.00 0.00 O ATOM 1099 CB ILE A 106 12.869 -1.766 -6.437 1.00 0.00 C ATOM 1100 CG1 ILE A 106 13.385 -2.673 -7.560 1.00 0.00 C ATOM 1101 CG2 ILE A 106 13.237 -2.317 -5.046 1.00 0.00 C ATOM 1102 CD1 ILE A 106 14.910 -2.599 -7.711 1.00 0.00 C ATOM 0 H ILE A 106 10.572 -3.388 -6.997 1.00 0.00 H new ATOM 0 HA ILE A 106 11.170 -0.781 -5.687 1.00 0.00 H new ATOM 0 HB ILE A 106 13.375 -0.814 -6.597 1.00 0.00 H new ATOM 0 HG12 ILE A 106 13.091 -3.703 -7.357 1.00 0.00 H new ATOM 0 HG13 ILE A 106 12.914 -2.387 -8.501 1.00 0.00 H new ATOM 0 HG21 ILE A 106 14.308 -2.515 -5.005 1.00 0.00 H new ATOM 0 HG22 ILE A 106 12.974 -1.584 -4.283 1.00 0.00 H new ATOM 0 HG23 ILE A 106 12.689 -3.242 -4.864 1.00 0.00 H new ATOM 0 HD11 ILE A 106 15.228 -3.258 -8.519 1.00 0.00 H new ATOM 0 HD12 ILE A 106 15.204 -1.575 -7.942 1.00 0.00 H new ATOM 0 HD13 ILE A 106 15.383 -2.911 -6.780 1.00 0.00 H new ATOM 1104 N LYS A 107 10.899 0.554 -7.760 1.00 0.00 N ATOM 1105 CA LYS A 107 10.399 1.375 -8.884 1.00 0.00 C ATOM 1106 C LYS A 107 11.434 1.351 -10.019 1.00 0.00 C ATOM 1107 O LYS A 107 12.335 2.184 -10.069 1.00 0.00 O ATOM 1108 CB LYS A 107 10.090 2.802 -8.398 1.00 0.00 C ATOM 1109 CG LYS A 107 9.410 3.671 -9.465 1.00 0.00 C ATOM 1110 CD LYS A 107 7.892 3.476 -9.544 1.00 0.00 C ATOM 1111 CE LYS A 107 7.171 4.347 -8.513 1.00 0.00 C ATOM 1112 NZ LYS A 107 5.711 4.208 -8.611 1.00 0.00 N ATOM 0 H LYS A 107 11.238 1.099 -6.967 1.00 0.00 H new ATOM 0 HA LYS A 107 9.466 0.965 -9.272 1.00 0.00 H new ATOM 0 HB2 LYS A 107 9.448 2.748 -7.519 1.00 0.00 H new ATOM 0 HB3 LYS A 107 11.018 3.281 -8.086 1.00 0.00 H new ATOM 0 HG2 LYS A 107 9.622 4.720 -9.256 1.00 0.00 H new ATOM 0 HG3 LYS A 107 9.847 3.445 -10.437 1.00 0.00 H new ATOM 0 HD2 LYS A 107 7.542 3.727 -10.545 1.00 0.00 H new ATOM 0 HD3 LYS A 107 7.647 2.428 -9.374 1.00 0.00 H new ATOM 0 HE2 LYS A 107 7.497 4.069 -7.510 1.00 0.00 H new ATOM 0 HE3 LYS A 107 7.448 5.391 -8.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 5.256 5.079 -8.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 5.444 4.043 -9.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 5.399 3.404 -8.030 1.00 0.00 H new ATOM 1117 N HIS A 108 11.334 0.276 -10.802 1.00 0.00 N ATOM 1118 CA HIS A 108 12.221 -0.086 -11.935 1.00 0.00 C ATOM 1119 C HIS A 108 13.459 -0.816 -11.395 1.00 0.00 C ATOM 1120 O HIS A 108 14.274 -0.252 -10.669 1.00 0.00 O ATOM 1121 CB HIS A 108 12.681 1.097 -12.811 1.00 0.00 C ATOM 1122 CG HIS A 108 11.533 2.002 -13.271 1.00 0.00 C ATOM 1123 ND1 HIS A 108 10.368 1.594 -13.758 1.00 0.00 N ATOM 1124 CD2 HIS A 108 11.435 3.309 -13.037 1.00 0.00 C ATOM 1125 CE1 HIS A 108 9.545 2.637 -13.804 1.00 0.00 C ATOM 1126 NE2 HIS A 108 10.204 3.698 -13.357 1.00 0.00 N ATOM 0 H HIS A 108 10.593 -0.412 -10.664 1.00 0.00 H new ATOM 0 HA HIS A 108 11.619 -0.722 -12.585 1.00 0.00 H new ATOM 0 HB2 HIS A 108 13.401 1.694 -12.252 1.00 0.00 H new ATOM 0 HB3 HIS A 108 13.200 0.709 -13.687 1.00 0.00 H new ATOM 0 HD2 HIS A 108 12.220 3.944 -12.653 1.00 0.00 H new ATOM 0 HE1 HIS A 108 8.520 2.623 -14.145 1.00 0.00 H new ATOM 0 HE2 HIS A 108 9.833 4.644 -13.274 1.00 0.00 H new ATOM 1129 N LYS A 109 13.455 -2.135 -11.578 1.00 0.00 N ATOM 1130 CA LYS A 109 14.575 -3.004 -11.144 1.00 0.00 C ATOM 1131 C LYS A 109 15.962 -2.650 -11.721 1.00 0.00 C ATOM 1132 O LYS A 109 16.955 -2.922 -11.012 1.00 99.99 O ATOM 1133 CG LYS A 109 13.063 -4.982 -10.608 1.00 0.00 C ATOM 1134 CD LYS A 109 12.849 -6.502 -10.652 1.00 0.00 C ATOM 1135 CE LYS A 109 12.421 -7.067 -12.014 1.00 0.00 C ATOM 1136 NZ LYS A 109 13.543 -7.189 -12.957 1.00 0.00 N ATOM 1137 OXT LYS A 109 15.996 -2.197 -12.888 1.00 99.99 O ATOM 0 H LYS A 109 12.689 -2.639 -12.025 1.00 0.00 H new ATOM 0 HD2 LYS A 109 13.775 -6.991 -10.349 1.00 0.00 H new ATOM 0 HD3 LYS A 109 12.092 -6.767 -9.914 1.00 0.00 H new ATOM 0 HE2 LYS A 109 11.966 -8.047 -11.869 1.00 0.00 H new ATOM 0 HE3 LYS A 109 11.657 -6.421 -12.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 13.198 -7.575 -13.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 13.963 -6.252 -13.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 14.262 -7.827 -12.560 1.00 0.00 H new TER 1142 LYS A 109