USER MOD reduce.3.24.130724 H: found=0, std=0, add=1046, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 1045 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 120 CYS SG : rot 58:sc= -6.1! USER MOD Set 1.2: A 127 CYS SG : rot 103:sc= -8.49! USER MOD Set 2.1: A 103 LYS NZ :NH3+ -179:sc= 2.21 (180deg=2.14) USER MOD Set 2.2: A 122 MET CE :methyl -167:sc= -0.394 (180deg=-0.618) USER MOD Set 3.1: A 83 THR OG1 : rot -49:sc= 0.926 USER MOD Set 3.2: A 85 THR OG1 : rot -154:sc= 0.791 USER MOD Set 4.1: A 53 THR OG1 : rot 180:sc= 1.04 USER MOD Set 4.2: A 66 SER OG : rot -115:sc= 0.732 USER MOD Set 5.1: A 51 ASN : amide:sc= 1.6 K(o=2.8,f=-1.3) USER MOD Set 5.2: A 68 THR OG1 : rot -57:sc= 1.23 USER MOD Set 6.1: A 22 TYR OH : rot 19:sc= 1.28 USER MOD Set 6.2: A 105 SER OG : rot 16:sc= 2.22 USER MOD Single : A 5 GLN : amide:sc= 0.281 X(o=0.28,f=0) USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ -172:sc= 1.23 (180deg=1.03) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 CYS SG : rot -130:sc= -0.993 USER MOD Single : A 46 THR OG1 : rot 52:sc= 1.03 USER MOD Single : A 47 CYS SG : rot 42:sc= 0.228 USER MOD Single : A 50 LYS NZ :NH3+ 179:sc= 2.29 (180deg=2.16) USER MOD Single : A 55 LYS NZ :NH3+ -117:sc= 1.12 (180deg=0.272) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 179:sc= 1.26 (180deg=1.23) USER MOD Single : A 62 THR OG1 : rot -175:sc= 1.17 USER MOD Single : A 63 THR OG1 : rot 178:sc= 0 USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 CYS SG : rot 162:sc= -0.804 USER MOD Single : A 72 LYS NZ :NH3+ 153:sc= 1.04 (180deg=-0.925!) USER MOD Single : A 76 THR OG1 : rot 32:sc= 0.899 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ -150:sc= 0.745 (180deg=0.288) USER MOD Single : A 84 GLN : amide:sc=-0.00694 X(o=-0.0069,f=-0.0069) USER MOD Single : A 87 CYS SG : rot 118:sc= -0.92! USER MOD Single : A 88 ASN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 90 THR OG1 : rot -104:sc= 0.947 USER MOD Single : A 96 GLN : amide:sc= 1.08 K(o=1.1,f=-5.7!) USER MOD Single : A 97 HIS : no HE2:sc= -0.763 K(o=0.23,f=-6.7!) USER MOD Single : A 98 GLN : amide:sc= 0.398 X(o=0.4,f=0) USER MOD Single : A 106 THR OG1 : rot 25:sc= 0.955 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 LYS NZ :NH3+ 168:sc= 0.951 (180deg=0.538) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 LYS NZ :NH3+ -132:sc= 1.88 (180deg=1.08) USER MOD Single : A 123 ASN : amide:sc= 1.8 K(o=1.8,f=-3.7!) USER MOD Single : A 124 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 126 THR OG1 : rot -48:sc= 1.25 USER MOD Single : A 128 THR OG1 : rot 180:sc= 0 USER MOD Single : A 131 TYR OH : rot 180:sc= 0 USER MOD Single : A 133 LYS NZ :NH3+ 157:sc= 1.22 (180deg=1.05) USER MOD ----------------------------------------------------------------- ATOM 14 N VAL A 4 0.514 -1.965 -2.481 1.00 0.00 N ATOM 15 CA VAL A 4 1.750 -1.848 -3.323 1.00 0.00 C ATOM 16 C VAL A 4 2.931 -2.853 -3.075 1.00 0.00 C ATOM 17 O VAL A 4 3.418 -3.475 -4.023 1.00 0.00 O ATOM 18 CB VAL A 4 2.124 -0.359 -3.659 1.00 0.00 C ATOM 19 CG1 VAL A 4 3.029 0.350 -2.628 1.00 0.00 C ATOM 20 CG2 VAL A 4 2.758 -0.218 -5.060 1.00 0.00 C ATOM 0 HA VAL A 4 1.438 -2.280 -4.274 1.00 0.00 H new ATOM 0 HB VAL A 4 1.159 0.146 -3.626 1.00 0.00 H new ATOM 0 HG11 VAL A 4 3.225 1.370 -2.957 1.00 0.00 H new ATOM 0 HG12 VAL A 4 2.530 0.371 -1.659 1.00 0.00 H new ATOM 0 HG13 VAL A 4 3.972 -0.190 -2.539 1.00 0.00 H new ATOM 0 HG21 VAL A 4 2.999 0.828 -5.247 1.00 0.00 H new ATOM 0 HG22 VAL A 4 3.669 -0.815 -5.109 1.00 0.00 H new ATOM 0 HG23 VAL A 4 2.054 -0.568 -5.815 1.00 0.00 H new ATOM 30 N GLN A 5 3.355 -3.049 -1.816 1.00 0.00 N ATOM 31 CA GLN A 5 4.376 -4.061 -1.422 1.00 0.00 C ATOM 32 C GLN A 5 3.963 -5.551 -1.685 1.00 0.00 C ATOM 33 O GLN A 5 4.807 -6.339 -2.118 1.00 0.00 O ATOM 34 CB GLN A 5 4.779 -3.741 0.046 1.00 0.00 C ATOM 35 CG GLN A 5 6.082 -4.414 0.558 1.00 0.00 C ATOM 36 CD GLN A 5 5.922 -5.756 1.277 1.00 0.00 C ATOM 37 OE1 GLN A 5 5.794 -5.839 2.493 1.00 0.00 O ATOM 38 NE2 GLN A 5 5.920 -6.848 0.557 1.00 0.00 N ATOM 0 H GLN A 5 3.001 -2.508 -1.027 1.00 0.00 H new ATOM 0 HA GLN A 5 5.249 -3.978 -2.070 1.00 0.00 H new ATOM 0 HB2 GLN A 5 4.889 -2.661 0.144 1.00 0.00 H new ATOM 0 HB3 GLN A 5 3.959 -4.039 0.700 1.00 0.00 H new ATOM 0 HG2 GLN A 5 6.747 -4.560 -0.293 1.00 0.00 H new ATOM 0 HG3 GLN A 5 6.580 -3.721 1.236 1.00 0.00 H new ATOM 0 HE21 GLN A 5 6.026 -6.791 -0.456 1.00 0.00 H new ATOM 0 HE22 GLN A 5 5.813 -7.756 1.008 1.00 0.00 H new ATOM 47 N GLN A 6 2.689 -5.950 -1.478 1.00 0.00 N ATOM 48 CA GLN A 6 2.167 -7.267 -1.965 1.00 0.00 C ATOM 49 C GLN A 6 2.166 -7.490 -3.520 1.00 0.00 C ATOM 50 O GLN A 6 2.267 -8.644 -3.943 1.00 0.00 O ATOM 51 CB GLN A 6 0.759 -7.543 -1.372 1.00 0.00 C ATOM 52 CG GLN A 6 0.695 -7.758 0.166 1.00 0.00 C ATOM 53 CD GLN A 6 -0.696 -8.109 0.719 1.00 0.00 C ATOM 54 OE1 GLN A 6 -1.714 -8.137 0.035 1.00 0.00 O ATOM 55 NE2 GLN A 6 -0.789 -8.381 1.998 1.00 0.00 N ATOM 0 H GLN A 6 1.998 -5.389 -0.980 1.00 0.00 H new ATOM 0 HA GLN A 6 2.893 -7.993 -1.598 1.00 0.00 H new ATOM 0 HB2 GLN A 6 0.109 -6.707 -1.629 1.00 0.00 H new ATOM 0 HB3 GLN A 6 0.349 -8.427 -1.859 1.00 0.00 H new ATOM 0 HG2 GLN A 6 1.387 -8.556 0.435 1.00 0.00 H new ATOM 0 HG3 GLN A 6 1.046 -6.851 0.659 1.00 0.00 H new ATOM 0 HE21 GLN A 6 0.045 -8.363 2.585 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -1.695 -8.610 2.406 1.00 0.00 H new ATOM 64 N LEU A 7 2.109 -6.436 -4.366 1.00 0.00 N ATOM 65 CA LEU A 7 2.448 -6.560 -5.819 1.00 0.00 C ATOM 66 C LEU A 7 3.964 -6.793 -6.177 1.00 0.00 C ATOM 67 O LEU A 7 4.252 -7.044 -7.349 1.00 0.00 O ATOM 68 CB LEU A 7 1.924 -5.332 -6.628 1.00 0.00 C ATOM 69 CG LEU A 7 0.430 -4.913 -6.559 1.00 0.00 C ATOM 70 CD1 LEU A 7 0.114 -3.921 -7.689 1.00 0.00 C ATOM 71 CD2 LEU A 7 -0.561 -6.075 -6.673 1.00 0.00 C ATOM 0 H LEU A 7 1.835 -5.496 -4.080 1.00 0.00 H new ATOM 0 HA LEU A 7 1.938 -7.479 -6.106 1.00 0.00 H new ATOM 0 HB2 LEU A 7 2.513 -4.469 -6.318 1.00 0.00 H new ATOM 0 HB3 LEU A 7 2.157 -5.516 -7.677 1.00 0.00 H new ATOM 0 HG LEU A 7 0.304 -4.470 -5.571 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -0.935 -3.631 -7.635 1.00 0.00 H new ATOM 0 HD12 LEU A 7 0.741 -3.036 -7.582 1.00 0.00 H new ATOM 0 HD13 LEU A 7 0.312 -4.392 -8.652 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -1.580 -5.691 -6.615 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.418 -6.583 -7.627 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -0.392 -6.779 -5.858 1.00 0.00 H new ATOM 83 N GLU A 8 4.924 -6.726 -5.235 1.00 0.00 N ATOM 84 CA GLU A 8 6.366 -6.953 -5.519 1.00 0.00 C ATOM 85 C GLU A 8 6.748 -8.469 -5.539 1.00 0.00 C ATOM 86 O GLU A 8 6.263 -9.277 -4.733 1.00 0.00 O ATOM 87 CB GLU A 8 7.244 -6.208 -4.482 1.00 0.00 C ATOM 88 CG GLU A 8 7.117 -4.665 -4.460 1.00 0.00 C ATOM 89 CD GLU A 8 8.199 -4.006 -3.624 1.00 0.00 C ATOM 90 OE1 GLU A 8 9.321 -3.799 -4.145 1.00 0.00 O ATOM 91 OE2 GLU A 8 7.929 -3.683 -2.451 1.00 0.00 O ATOM 0 H GLU A 8 4.729 -6.514 -4.256 1.00 0.00 H new ATOM 0 HA GLU A 8 6.553 -6.557 -6.517 1.00 0.00 H new ATOM 0 HB2 GLU A 8 6.997 -6.586 -3.490 1.00 0.00 H new ATOM 0 HB3 GLU A 8 8.287 -6.463 -4.670 1.00 0.00 H new ATOM 0 HG2 GLU A 8 7.168 -4.285 -5.480 1.00 0.00 H new ATOM 0 HG3 GLU A 8 6.139 -4.389 -4.066 1.00 0.00 H new ATOM 98 N GLY A 9 7.655 -8.839 -6.456 1.00 0.00 N ATOM 99 CA GLY A 9 8.089 -10.249 -6.624 1.00 0.00 C ATOM 100 C GLY A 9 8.527 -10.641 -8.048 1.00 0.00 C ATOM 101 O GLY A 9 8.314 -9.918 -9.023 1.00 0.00 O ATOM 0 H GLY A 9 8.107 -8.186 -7.097 1.00 0.00 H new ATOM 0 HA2 GLY A 9 8.918 -10.440 -5.942 1.00 0.00 H new ATOM 0 HA3 GLY A 9 7.270 -10.902 -6.321 1.00 0.00 H new ATOM 105 N ARG A 10 9.090 -11.853 -8.159 1.00 0.00 N ATOM 106 CA ARG A 10 9.298 -12.532 -9.468 1.00 0.00 C ATOM 107 C ARG A 10 8.011 -13.333 -9.843 1.00 0.00 C ATOM 108 O ARG A 10 7.741 -14.398 -9.281 1.00 0.00 O ATOM 109 CB ARG A 10 10.581 -13.396 -9.338 1.00 0.00 C ATOM 110 CG ARG A 10 10.941 -14.234 -10.593 1.00 0.00 C ATOM 111 CD ARG A 10 12.247 -15.043 -10.459 1.00 0.00 C ATOM 112 NE ARG A 10 13.455 -14.214 -10.734 1.00 0.00 N ATOM 113 CZ ARG A 10 14.041 -14.071 -11.926 1.00 0.00 C ATOM 114 NH1 ARG A 10 13.590 -14.581 -13.049 1.00 0.00 N ATOM 115 NH2 ARG A 10 15.139 -13.375 -11.983 1.00 0.00 N ATOM 0 H ARG A 10 9.415 -12.395 -7.358 1.00 0.00 H new ATOM 0 HA ARG A 10 9.454 -11.834 -10.290 1.00 0.00 H new ATOM 0 HB2 ARG A 10 11.420 -12.740 -9.106 1.00 0.00 H new ATOM 0 HB3 ARG A 10 10.461 -14.072 -8.491 1.00 0.00 H new ATOM 0 HG2 ARG A 10 10.121 -14.921 -10.805 1.00 0.00 H new ATOM 0 HG3 ARG A 10 11.027 -13.566 -11.450 1.00 0.00 H new ATOM 0 HD2 ARG A 10 12.314 -15.457 -9.453 1.00 0.00 H new ATOM 0 HD3 ARG A 10 12.222 -15.886 -11.149 1.00 0.00 H new ATOM 0 HE ARG A 10 13.868 -13.714 -9.947 1.00 0.00 H new ATOM 0 HH11 ARG A 10 12.732 -15.133 -13.050 1.00 0.00 H new ATOM 0 HH12 ARG A 10 14.098 -14.425 -13.920 1.00 0.00 H new ATOM 0 HH21 ARG A 10 15.524 -12.960 -11.135 1.00 0.00 H new ATOM 0 HH22 ARG A 10 15.614 -13.245 -12.876 1.00 0.00 H new ATOM 129 N TRP A 11 7.212 -12.800 -10.777 1.00 0.00 N ATOM 130 CA TRP A 11 5.859 -13.341 -11.079 1.00 0.00 C ATOM 131 C TRP A 11 5.912 -14.198 -12.379 1.00 0.00 C ATOM 132 O TRP A 11 5.946 -13.662 -13.489 1.00 0.00 O ATOM 133 CB TRP A 11 4.863 -12.151 -11.166 1.00 0.00 C ATOM 134 CG TRP A 11 4.662 -11.352 -9.873 1.00 0.00 C ATOM 135 CD1 TRP A 11 5.182 -10.073 -9.597 1.00 0.00 C ATOM 136 CD2 TRP A 11 3.932 -11.703 -8.757 1.00 0.00 C ATOM 137 NE1 TRP A 11 4.798 -9.619 -8.328 1.00 0.00 N ATOM 138 CE2 TRP A 11 4.030 -10.643 -7.823 1.00 0.00 C ATOM 139 CE3 TRP A 11 3.133 -12.837 -8.475 1.00 0.00 C ATOM 140 CZ2 TRP A 11 3.339 -10.710 -6.596 1.00 0.00 C ATOM 141 CZ3 TRP A 11 2.442 -12.870 -7.265 1.00 0.00 C ATOM 142 CH2 TRP A 11 2.552 -11.833 -6.331 1.00 0.00 C ATOM 0 H TRP A 11 7.471 -11.992 -11.344 1.00 0.00 H new ATOM 0 HA TRP A 11 5.511 -14.007 -10.289 1.00 0.00 H new ATOM 0 HB2 TRP A 11 5.209 -11.468 -11.942 1.00 0.00 H new ATOM 0 HB3 TRP A 11 3.895 -12.535 -11.488 1.00 0.00 H new ATOM 0 HD1 TRP A 11 5.801 -9.510 -10.280 1.00 0.00 H new ATOM 0 HE1 TRP A 11 5.034 -8.733 -7.881 1.00 0.00 H new ATOM 0 HE3 TRP A 11 3.061 -13.654 -9.178 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 3.417 -9.909 -5.876 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 1.807 -13.715 -7.043 1.00 0.00 H new ATOM 0 HH2 TRP A 11 2.021 -11.902 -5.393 1.00 0.00 H new ATOM 153 N ARG A 12 5.931 -15.532 -12.238 1.00 0.00 N ATOM 154 CA ARG A 12 6.037 -16.481 -13.383 1.00 0.00 C ATOM 155 C ARG A 12 4.646 -16.867 -13.983 1.00 0.00 C ATOM 156 O ARG A 12 3.679 -17.078 -13.244 1.00 0.00 O ATOM 157 CB ARG A 12 6.818 -17.741 -12.909 1.00 0.00 C ATOM 158 CG ARG A 12 6.140 -18.613 -11.808 1.00 0.00 C ATOM 159 CD ARG A 12 6.164 -20.135 -12.017 1.00 0.00 C ATOM 160 NE ARG A 12 5.293 -20.536 -13.154 1.00 0.00 N ATOM 161 CZ ARG A 12 4.922 -21.788 -13.414 1.00 0.00 C ATOM 162 NH1 ARG A 12 4.890 -22.739 -12.513 1.00 0.00 N ATOM 163 NH2 ARG A 12 4.511 -22.070 -14.616 1.00 0.00 N ATOM 0 H ARG A 12 5.874 -15.995 -11.331 1.00 0.00 H new ATOM 0 HA ARG A 12 6.576 -15.988 -14.192 1.00 0.00 H new ATOM 0 HB2 ARG A 12 7.003 -18.373 -13.777 1.00 0.00 H new ATOM 0 HB3 ARG A 12 7.790 -17.418 -12.537 1.00 0.00 H new ATOM 0 HG2 ARG A 12 6.623 -18.393 -10.856 1.00 0.00 H new ATOM 0 HG3 ARG A 12 5.100 -18.299 -11.718 1.00 0.00 H new ATOM 0 HD2 ARG A 12 7.186 -20.463 -12.206 1.00 0.00 H new ATOM 0 HD3 ARG A 12 5.832 -20.635 -11.107 1.00 0.00 H new ATOM 0 HE ARG A 12 4.957 -19.802 -13.777 1.00 0.00 H new ATOM 0 HH11 ARG A 12 5.159 -22.538 -11.550 1.00 0.00 H new ATOM 0 HH12 ARG A 12 4.596 -23.680 -12.775 1.00 0.00 H new ATOM 0 HH21 ARG A 12 4.480 -21.341 -15.328 1.00 0.00 H new ATOM 0 HH22 ARG A 12 4.220 -23.020 -14.846 1.00 0.00 H new ATOM 177 N LEU A 13 4.539 -17.023 -15.314 1.00 0.00 N ATOM 178 CA LEU A 13 3.239 -17.358 -15.970 1.00 0.00 C ATOM 179 C LEU A 13 2.759 -18.828 -15.692 1.00 0.00 C ATOM 180 O LEU A 13 3.508 -19.788 -15.910 1.00 0.00 O ATOM 181 CB LEU A 13 3.374 -17.052 -17.489 1.00 0.00 C ATOM 182 CG LEU A 13 2.059 -17.093 -18.320 1.00 0.00 C ATOM 183 CD1 LEU A 13 1.117 -15.921 -17.985 1.00 0.00 C ATOM 184 CD2 LEU A 13 2.366 -17.083 -19.827 1.00 0.00 C ATOM 0 H LEU A 13 5.322 -16.926 -15.961 1.00 0.00 H new ATOM 0 HA LEU A 13 2.455 -16.738 -15.536 1.00 0.00 H new ATOM 0 HB2 LEU A 13 3.819 -16.063 -17.601 1.00 0.00 H new ATOM 0 HB3 LEU A 13 4.074 -17.767 -17.921 1.00 0.00 H new ATOM 0 HG LEU A 13 1.553 -18.021 -18.053 1.00 0.00 H new ATOM 0 HD11 LEU A 13 0.214 -15.995 -18.591 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.849 -15.960 -16.929 1.00 0.00 H new ATOM 0 HD13 LEU A 13 1.620 -14.978 -18.197 1.00 0.00 H new ATOM 0 HD21 LEU A 13 1.432 -17.112 -20.389 1.00 0.00 H new ATOM 0 HD22 LEU A 13 2.914 -16.176 -20.081 1.00 0.00 H new ATOM 0 HD23 LEU A 13 2.970 -17.954 -20.081 1.00 0.00 H new ATOM 196 N VAL A 14 1.505 -18.980 -15.225 1.00 0.00 N ATOM 197 CA VAL A 14 0.819 -20.308 -15.071 1.00 0.00 C ATOM 198 C VAL A 14 -0.359 -20.494 -16.090 1.00 0.00 C ATOM 199 O VAL A 14 -0.348 -21.480 -16.831 1.00 0.00 O ATOM 200 CB VAL A 14 0.430 -20.655 -13.587 1.00 0.00 C ATOM 201 CG1 VAL A 14 1.662 -20.965 -12.717 1.00 0.00 C ATOM 202 CG2 VAL A 14 -0.432 -19.622 -12.831 1.00 0.00 C ATOM 0 H VAL A 14 0.925 -18.192 -14.939 1.00 0.00 H new ATOM 0 HA VAL A 14 1.565 -21.058 -15.335 1.00 0.00 H new ATOM 0 HB VAL A 14 -0.196 -21.536 -13.730 1.00 0.00 H new ATOM 0 HG11 VAL A 14 1.341 -21.198 -11.702 1.00 0.00 H new ATOM 0 HG12 VAL A 14 2.196 -21.819 -13.134 1.00 0.00 H new ATOM 0 HG13 VAL A 14 2.322 -20.098 -12.699 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -0.629 -19.982 -11.821 1.00 0.00 H new ATOM 0 HG22 VAL A 14 0.100 -18.672 -12.780 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -1.376 -19.482 -13.357 1.00 0.00 H new ATOM 212 N ASP A 15 -1.350 -19.579 -16.139 1.00 0.00 N ATOM 213 CA ASP A 15 -2.433 -19.586 -17.167 1.00 0.00 C ATOM 214 C ASP A 15 -2.375 -18.283 -18.037 1.00 0.00 C ATOM 215 O ASP A 15 -1.949 -17.210 -17.595 1.00 0.00 O ATOM 216 CB ASP A 15 -3.792 -19.809 -16.441 1.00 0.00 C ATOM 217 CG ASP A 15 -5.057 -19.801 -17.308 1.00 0.00 C ATOM 218 OD1 ASP A 15 -4.990 -20.195 -18.495 1.00 0.00 O ATOM 219 OD2 ASP A 15 -6.117 -19.360 -16.817 1.00 0.00 O ATOM 0 H ASP A 15 -1.429 -18.812 -15.471 1.00 0.00 H new ATOM 0 HA ASP A 15 -2.302 -20.404 -17.876 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -3.745 -20.766 -15.921 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -3.899 -19.037 -15.679 1.00 0.00 H new ATOM 224 N SER A 16 -2.833 -18.397 -19.296 1.00 0.00 N ATOM 225 CA SER A 16 -2.933 -17.238 -20.232 1.00 0.00 C ATOM 226 C SER A 16 -4.174 -17.320 -21.176 1.00 0.00 C ATOM 227 O SER A 16 -4.063 -17.298 -22.409 1.00 0.00 O ATOM 228 CB SER A 16 -1.584 -17.123 -20.972 1.00 0.00 C ATOM 229 OG SER A 16 -1.540 -15.950 -21.775 1.00 0.00 O ATOM 0 H SER A 16 -3.144 -19.280 -19.700 1.00 0.00 H new ATOM 0 HA SER A 16 -3.112 -16.319 -19.674 1.00 0.00 H new ATOM 0 HB2 SER A 16 -0.769 -17.103 -20.248 1.00 0.00 H new ATOM 0 HB3 SER A 16 -1.433 -18.002 -21.598 1.00 0.00 H new ATOM 0 HG SER A 16 -0.675 -15.899 -22.233 1.00 0.00 H new ATOM 235 N LYS A 17 -5.372 -17.370 -20.575 1.00 0.00 N ATOM 236 CA LYS A 17 -6.629 -17.725 -21.282 1.00 0.00 C ATOM 237 C LYS A 17 -7.176 -16.569 -22.184 1.00 0.00 C ATOM 238 O LYS A 17 -7.494 -15.482 -21.695 1.00 0.00 O ATOM 239 CB LYS A 17 -7.633 -18.182 -20.189 1.00 0.00 C ATOM 240 CG LYS A 17 -8.961 -18.743 -20.749 1.00 0.00 C ATOM 241 CD LYS A 17 -9.918 -19.222 -19.637 1.00 0.00 C ATOM 242 CE LYS A 17 -11.268 -19.766 -20.151 1.00 0.00 C ATOM 243 NZ LYS A 17 -12.149 -18.655 -20.612 1.00 0.00 N ATOM 0 H LYS A 17 -5.505 -17.167 -19.584 1.00 0.00 H new ATOM 0 HA LYS A 17 -6.452 -18.531 -21.994 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -7.160 -18.946 -19.572 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -7.854 -17.337 -19.537 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -9.455 -17.973 -21.342 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -8.746 -19.574 -21.421 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -9.422 -20.001 -19.058 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -10.109 -18.392 -18.956 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -11.095 -20.463 -20.971 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -11.765 -20.324 -19.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -13.051 -19.046 -20.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -12.330 -18.005 -19.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -11.681 -18.139 -21.384 1.00 0.00 H new ATOM 257 N GLY A 18 -7.290 -16.827 -23.498 1.00 0.00 N ATOM 258 CA GLY A 18 -7.601 -15.765 -24.503 1.00 0.00 C ATOM 259 C GLY A 18 -6.423 -15.076 -25.241 1.00 0.00 C ATOM 260 O GLY A 18 -6.670 -14.307 -26.170 1.00 0.00 O ATOM 0 H GLY A 18 -7.174 -17.757 -23.901 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -8.254 -16.204 -25.258 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -8.175 -14.988 -23.998 1.00 0.00 H new ATOM 264 N PHE A 19 -5.152 -15.335 -24.880 1.00 0.00 N ATOM 265 CA PHE A 19 -3.980 -14.619 -25.464 1.00 0.00 C ATOM 266 C PHE A 19 -3.766 -14.709 -27.015 1.00 0.00 C ATOM 267 O PHE A 19 -3.337 -13.708 -27.592 1.00 0.00 O ATOM 268 CB PHE A 19 -2.753 -14.967 -24.578 1.00 0.00 C ATOM 269 CG PHE A 19 -1.467 -14.142 -24.779 1.00 0.00 C ATOM 270 CD1 PHE A 19 -1.484 -12.747 -24.659 1.00 0.00 C ATOM 271 CD2 PHE A 19 -0.252 -14.789 -25.035 1.00 0.00 C ATOM 272 CE1 PHE A 19 -0.317 -12.009 -24.839 1.00 0.00 C ATOM 273 CE2 PHE A 19 0.918 -14.051 -25.196 1.00 0.00 C ATOM 274 CZ PHE A 19 0.884 -12.662 -25.108 1.00 0.00 C ATOM 0 H PHE A 19 -4.900 -16.037 -24.184 1.00 0.00 H new ATOM 0 HA PHE A 19 -4.179 -13.548 -25.426 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -3.054 -14.870 -23.535 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -2.507 -16.016 -24.742 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -2.409 -12.240 -24.425 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -0.222 -15.866 -25.108 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -0.343 -10.932 -24.770 1.00 0.00 H new ATOM 0 HE2 PHE A 19 1.853 -14.557 -25.389 1.00 0.00 H new ATOM 0 HZ PHE A 19 1.789 -12.090 -25.248 1.00 0.00 H new ATOM 284 N ASP A 20 -4.143 -15.820 -27.683 1.00 0.00 N ATOM 285 CA ASP A 20 -4.302 -15.889 -29.169 1.00 0.00 C ATOM 286 C ASP A 20 -5.225 -14.783 -29.813 1.00 0.00 C ATOM 287 O ASP A 20 -4.758 -14.066 -30.704 1.00 0.00 O ATOM 288 CB ASP A 20 -4.726 -17.351 -29.493 1.00 0.00 C ATOM 289 CG ASP A 20 -4.812 -17.683 -30.981 1.00 0.00 C ATOM 290 OD1 ASP A 20 -3.807 -17.525 -31.705 1.00 0.00 O ATOM 291 OD2 ASP A 20 -5.915 -18.020 -31.467 1.00 0.00 O ATOM 0 H ASP A 20 -4.349 -16.702 -27.214 1.00 0.00 H new ATOM 0 HA ASP A 20 -3.352 -15.646 -29.646 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -4.015 -18.032 -29.025 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -5.698 -17.541 -29.037 1.00 0.00 H new ATOM 296 N GLU A 21 -6.494 -14.603 -29.376 1.00 0.00 N ATOM 297 CA GLU A 21 -7.329 -13.432 -29.802 1.00 0.00 C ATOM 298 C GLU A 21 -6.722 -12.018 -29.507 1.00 0.00 C ATOM 299 O GLU A 21 -6.697 -11.154 -30.389 1.00 0.00 O ATOM 300 CB GLU A 21 -8.816 -13.568 -29.351 1.00 0.00 C ATOM 301 CG GLU A 21 -9.180 -13.427 -27.838 1.00 0.00 C ATOM 302 CD GLU A 21 -10.606 -13.000 -27.478 1.00 0.00 C ATOM 303 OE1 GLU A 21 -11.514 -13.063 -28.330 1.00 0.00 O ATOM 304 OE2 GLU A 21 -10.812 -12.571 -26.316 1.00 0.00 O ATOM 0 H GLU A 21 -6.967 -15.241 -28.735 1.00 0.00 H new ATOM 0 HA GLU A 21 -7.316 -13.481 -30.891 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.392 -12.820 -29.896 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -9.169 -14.545 -29.682 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -8.987 -14.386 -27.358 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -8.494 -12.705 -27.395 1.00 0.00 H new ATOM 311 N TYR A 22 -6.187 -11.813 -28.291 1.00 0.00 N ATOM 312 CA TYR A 22 -5.496 -10.562 -27.888 1.00 0.00 C ATOM 313 C TYR A 22 -4.253 -10.165 -28.758 1.00 0.00 C ATOM 314 O TYR A 22 -4.205 -9.030 -29.236 1.00 0.00 O ATOM 315 CB TYR A 22 -5.215 -10.724 -26.372 1.00 0.00 C ATOM 316 CG TYR A 22 -4.694 -9.467 -25.675 1.00 0.00 C ATOM 317 CD1 TYR A 22 -5.566 -8.430 -25.329 1.00 0.00 C ATOM 318 CD2 TYR A 22 -3.336 -9.362 -25.360 1.00 0.00 C ATOM 319 CE1 TYR A 22 -5.077 -7.293 -24.691 1.00 0.00 C ATOM 320 CE2 TYR A 22 -2.860 -8.241 -24.689 1.00 0.00 C ATOM 321 CZ TYR A 22 -3.723 -7.198 -24.378 1.00 0.00 C ATOM 322 OH TYR A 22 -3.214 -6.075 -23.791 1.00 0.00 O ATOM 0 H TYR A 22 -6.219 -12.513 -27.550 1.00 0.00 H new ATOM 0 HA TYR A 22 -6.131 -9.696 -28.077 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -6.134 -11.040 -25.879 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -4.488 -11.525 -26.236 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -6.619 -8.511 -25.557 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -2.655 -10.153 -25.638 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -5.748 -6.485 -24.439 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -1.819 -8.181 -24.409 1.00 0.00 H new ATOM 0 HH TYR A 22 -3.942 -5.561 -23.383 1.00 0.00 H new ATOM 332 N MET A 23 -3.294 -11.078 -29.019 1.00 0.00 N ATOM 333 CA MET A 23 -2.231 -10.862 -30.050 1.00 0.00 C ATOM 334 C MET A 23 -2.707 -10.548 -31.518 1.00 0.00 C ATOM 335 O MET A 23 -2.112 -9.701 -32.190 1.00 0.00 O ATOM 336 CB MET A 23 -1.183 -12.007 -29.957 1.00 0.00 C ATOM 337 CG MET A 23 -1.618 -13.412 -30.405 1.00 0.00 C ATOM 338 SD MET A 23 -0.239 -14.573 -30.382 1.00 0.00 S ATOM 339 CE MET A 23 -0.182 -15.057 -28.651 1.00 0.00 C ATOM 0 H MET A 23 -3.225 -11.974 -28.536 1.00 0.00 H new ATOM 0 HA MET A 23 -1.759 -9.913 -29.795 1.00 0.00 H new ATOM 0 HB2 MET A 23 -0.317 -11.718 -30.553 1.00 0.00 H new ATOM 0 HB3 MET A 23 -0.850 -12.073 -28.921 1.00 0.00 H new ATOM 0 HG2 MET A 23 -2.410 -13.774 -29.750 1.00 0.00 H new ATOM 0 HG3 MET A 23 -2.035 -13.361 -31.411 1.00 0.00 H new ATOM 0 HE1 MET A 23 0.626 -15.772 -28.500 1.00 0.00 H new ATOM 0 HE2 MET A 23 -0.008 -14.176 -28.033 1.00 0.00 H new ATOM 0 HE3 MET A 23 -1.130 -15.516 -28.370 1.00 0.00 H new ATOM 349 N LYS A 24 -3.795 -11.176 -32.002 1.00 0.00 N ATOM 350 CA LYS A 24 -4.465 -10.777 -33.276 1.00 0.00 C ATOM 351 C LYS A 24 -5.092 -9.336 -33.285 1.00 0.00 C ATOM 352 O LYS A 24 -4.813 -8.586 -34.225 1.00 0.00 O ATOM 353 CB LYS A 24 -5.440 -11.919 -33.696 1.00 0.00 C ATOM 354 CG LYS A 24 -4.714 -13.117 -34.366 1.00 0.00 C ATOM 355 CD LYS A 24 -5.562 -14.386 -34.618 1.00 0.00 C ATOM 356 CE LYS A 24 -5.692 -15.267 -33.362 1.00 0.00 C ATOM 357 NZ LYS A 24 -6.306 -16.593 -33.631 1.00 0.00 N ATOM 0 H LYS A 24 -4.238 -11.967 -31.535 1.00 0.00 H new ATOM 0 HA LYS A 24 -3.700 -10.667 -34.044 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -5.978 -12.272 -32.816 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -6.184 -11.520 -34.385 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -4.312 -12.781 -35.321 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -3.864 -13.393 -33.742 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -6.556 -14.094 -34.957 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -5.110 -14.968 -35.421 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -4.703 -15.414 -32.927 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -6.292 -14.741 -32.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -6.489 -17.080 -32.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -7.202 -16.463 -34.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -5.657 -17.165 -34.209 1.00 0.00 H new ATOM 371 N GLU A 25 -5.859 -8.914 -32.259 1.00 0.00 N ATOM 372 CA GLU A 25 -6.313 -7.492 -32.117 1.00 0.00 C ATOM 373 C GLU A 25 -5.189 -6.430 -31.814 1.00 0.00 C ATOM 374 O GLU A 25 -5.240 -5.326 -32.369 1.00 0.00 O ATOM 375 CB GLU A 25 -7.486 -7.473 -31.101 1.00 0.00 C ATOM 376 CG GLU A 25 -8.235 -6.129 -30.892 1.00 0.00 C ATOM 377 CD GLU A 25 -9.133 -5.633 -32.016 1.00 0.00 C ATOM 378 OE1 GLU A 25 -8.609 -5.212 -33.069 1.00 0.00 O ATOM 379 OE2 GLU A 25 -10.362 -5.584 -31.816 1.00 0.00 O ATOM 0 H GLU A 25 -6.183 -9.527 -31.511 1.00 0.00 H new ATOM 0 HA GLU A 25 -6.652 -7.151 -33.095 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -8.216 -8.219 -31.417 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -7.098 -7.795 -30.135 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -8.844 -6.222 -29.993 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -7.490 -5.358 -30.694 1.00 0.00 H new ATOM 386 N LEU A 26 -4.164 -6.733 -30.991 1.00 0.00 N ATOM 387 CA LEU A 26 -2.926 -5.895 -30.872 1.00 0.00 C ATOM 388 C LEU A 26 -2.148 -5.554 -32.195 1.00 0.00 C ATOM 389 O LEU A 26 -1.557 -4.474 -32.292 1.00 0.00 O ATOM 390 CB LEU A 26 -1.944 -6.590 -29.882 1.00 0.00 C ATOM 391 CG LEU A 26 -2.209 -6.493 -28.358 1.00 0.00 C ATOM 392 CD1 LEU A 26 -1.152 -7.320 -27.609 1.00 0.00 C ATOM 393 CD2 LEU A 26 -2.164 -5.050 -27.832 1.00 0.00 C ATOM 0 H LEU A 26 -4.159 -7.557 -30.389 1.00 0.00 H new ATOM 0 HA LEU A 26 -3.293 -4.930 -30.522 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.911 -7.648 -30.142 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -0.949 -6.185 -30.068 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.214 -6.876 -28.184 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.333 -7.256 -26.536 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.213 -8.361 -27.926 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.159 -6.930 -27.833 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.357 -5.048 -26.759 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.180 -4.623 -28.025 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.923 -4.454 -28.339 1.00 0.00 H new ATOM 405 N GLY A 27 -2.096 -6.487 -33.161 1.00 0.00 N ATOM 406 CA GLY A 27 -1.243 -6.365 -34.373 1.00 0.00 C ATOM 407 C GLY A 27 0.138 -7.036 -34.239 1.00 0.00 C ATOM 408 O GLY A 27 1.165 -6.359 -34.301 1.00 0.00 O ATOM 0 H GLY A 27 -2.641 -7.349 -33.131 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -1.769 -6.805 -35.220 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -1.101 -5.308 -34.600 1.00 0.00 H new ATOM 412 N VAL A 28 0.138 -8.363 -34.054 1.00 0.00 N ATOM 413 CA VAL A 28 1.368 -9.150 -33.740 1.00 0.00 C ATOM 414 C VAL A 28 1.658 -10.086 -34.961 1.00 0.00 C ATOM 415 O VAL A 28 0.803 -10.888 -35.360 1.00 0.00 O ATOM 416 CB VAL A 28 1.182 -9.935 -32.390 1.00 0.00 C ATOM 417 CG1 VAL A 28 2.417 -10.773 -31.988 1.00 0.00 C ATOM 418 CG2 VAL A 28 0.855 -9.048 -31.161 1.00 0.00 C ATOM 0 H VAL A 28 -0.706 -8.933 -34.115 1.00 0.00 H new ATOM 0 HA VAL A 28 2.230 -8.500 -33.590 1.00 0.00 H new ATOM 0 HB VAL A 28 0.330 -10.573 -32.624 1.00 0.00 H new ATOM 0 HG11 VAL A 28 2.218 -11.287 -31.048 1.00 0.00 H new ATOM 0 HG12 VAL A 28 2.627 -11.507 -32.766 1.00 0.00 H new ATOM 0 HG13 VAL A 28 3.279 -10.116 -31.867 1.00 0.00 H new ATOM 0 HG21 VAL A 28 0.745 -9.677 -30.278 1.00 0.00 H new ATOM 0 HG22 VAL A 28 1.664 -8.336 -31.001 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -0.074 -8.507 -31.340 1.00 0.00 H new ATOM 428 N GLY A 29 2.876 -10.012 -35.532 1.00 0.00 N ATOM 429 CA GLY A 29 3.286 -10.878 -36.677 1.00 0.00 C ATOM 430 C GLY A 29 3.478 -12.387 -36.375 1.00 0.00 C ATOM 431 O GLY A 29 3.628 -12.794 -35.223 1.00 0.00 O ATOM 0 H GLY A 29 3.601 -9.363 -35.225 1.00 0.00 H new ATOM 0 HA2 GLY A 29 2.537 -10.781 -37.463 1.00 0.00 H new ATOM 0 HA3 GLY A 29 4.222 -10.490 -37.079 1.00 0.00 H new ATOM 435 N ILE A 30 3.481 -13.228 -37.422 1.00 0.00 N ATOM 436 CA ILE A 30 3.406 -14.723 -37.294 1.00 0.00 C ATOM 437 C ILE A 30 4.509 -15.395 -36.392 1.00 0.00 C ATOM 438 O ILE A 30 4.165 -16.152 -35.478 1.00 0.00 O ATOM 439 CB ILE A 30 3.266 -15.409 -38.707 1.00 0.00 C ATOM 440 CG1 ILE A 30 2.339 -14.690 -39.743 1.00 0.00 C ATOM 441 CG2 ILE A 30 2.788 -16.881 -38.573 1.00 0.00 C ATOM 442 CD1 ILE A 30 3.062 -13.709 -40.686 1.00 0.00 C ATOM 0 H ILE A 30 3.535 -12.907 -38.389 1.00 0.00 H new ATOM 0 HA ILE A 30 2.492 -14.908 -36.729 1.00 0.00 H new ATOM 0 HB ILE A 30 4.278 -15.343 -39.107 1.00 0.00 H new ATOM 0 HG12 ILE A 30 1.836 -15.446 -40.345 1.00 0.00 H new ATOM 0 HG13 ILE A 30 1.565 -14.147 -39.201 1.00 0.00 H new ATOM 0 HG21 ILE A 30 2.701 -17.327 -39.564 1.00 0.00 H new ATOM 0 HG22 ILE A 30 3.510 -17.446 -37.983 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.817 -16.905 -38.078 1.00 0.00 H new ATOM 0 HD11 ILE A 30 2.339 -13.260 -41.367 1.00 0.00 H new ATOM 0 HD12 ILE A 30 3.542 -12.926 -40.098 1.00 0.00 H new ATOM 0 HD13 ILE A 30 3.817 -14.246 -41.260 1.00 0.00 H new ATOM 454 N ALA A 31 5.804 -15.094 -36.615 1.00 0.00 N ATOM 455 CA ALA A 31 6.900 -15.494 -35.686 1.00 0.00 C ATOM 456 C ALA A 31 6.803 -14.943 -34.222 1.00 0.00 C ATOM 457 O ALA A 31 6.963 -15.720 -33.278 1.00 0.00 O ATOM 458 CB ALA A 31 8.228 -15.124 -36.373 1.00 0.00 C ATOM 0 H ALA A 31 6.125 -14.574 -37.431 1.00 0.00 H new ATOM 0 HA ALA A 31 6.818 -16.568 -35.518 1.00 0.00 H new ATOM 0 HB1 ALA A 31 9.061 -15.400 -35.727 1.00 0.00 H new ATOM 0 HB2 ALA A 31 8.310 -15.659 -37.319 1.00 0.00 H new ATOM 0 HB3 ALA A 31 8.254 -14.051 -36.560 1.00 0.00 H new ATOM 464 N LEU A 32 6.478 -13.648 -34.028 1.00 0.00 N ATOM 465 CA LEU A 32 6.095 -13.083 -32.697 1.00 0.00 C ATOM 466 C LEU A 32 4.861 -13.761 -31.997 1.00 0.00 C ATOM 467 O LEU A 32 4.928 -14.013 -30.792 1.00 0.00 O ATOM 468 CB LEU A 32 5.883 -11.546 -32.833 1.00 0.00 C ATOM 469 CG LEU A 32 7.113 -10.665 -33.183 1.00 0.00 C ATOM 470 CD1 LEU A 32 6.648 -9.250 -33.571 1.00 0.00 C ATOM 471 CD2 LEU A 32 8.116 -10.566 -32.019 1.00 0.00 C ATOM 0 H LEU A 32 6.471 -12.959 -34.780 1.00 0.00 H new ATOM 0 HA LEU A 32 6.928 -13.306 -32.030 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.126 -11.381 -33.599 1.00 0.00 H new ATOM 0 HB3 LEU A 32 5.469 -11.182 -31.892 1.00 0.00 H new ATOM 0 HG LEU A 32 7.621 -11.143 -34.020 1.00 0.00 H new ATOM 0 HD11 LEU A 32 7.515 -8.636 -33.815 1.00 0.00 H new ATOM 0 HD12 LEU A 32 5.989 -9.308 -34.437 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.110 -8.802 -32.735 1.00 0.00 H new ATOM 0 HD21 LEU A 32 8.957 -9.939 -32.316 1.00 0.00 H new ATOM 0 HD22 LEU A 32 7.624 -10.126 -31.151 1.00 0.00 H new ATOM 0 HD23 LEU A 32 8.478 -11.562 -31.765 1.00 0.00 H new ATOM 483 N ARG A 33 3.772 -14.095 -32.724 1.00 0.00 N ATOM 484 CA ARG A 33 2.647 -14.920 -32.187 1.00 0.00 C ATOM 485 C ARG A 33 3.049 -16.360 -31.725 1.00 0.00 C ATOM 486 O ARG A 33 2.722 -16.744 -30.600 1.00 0.00 O ATOM 487 CB ARG A 33 1.459 -14.986 -33.193 1.00 0.00 C ATOM 488 CG ARG A 33 0.758 -13.644 -33.523 1.00 0.00 C ATOM 489 CD ARG A 33 -0.679 -13.737 -34.076 1.00 0.00 C ATOM 490 NE ARG A 33 -0.819 -14.549 -35.317 1.00 0.00 N ATOM 491 CZ ARG A 33 -0.792 -14.082 -36.565 1.00 0.00 C ATOM 492 NH1 ARG A 33 -0.474 -12.852 -36.886 1.00 0.00 N ATOM 493 NH2 ARG A 33 -1.096 -14.902 -37.529 1.00 0.00 N ATOM 0 H ARG A 33 3.640 -13.807 -33.694 1.00 0.00 H new ATOM 0 HA ARG A 33 2.333 -14.397 -31.284 1.00 0.00 H new ATOM 0 HB2 ARG A 33 1.824 -15.418 -34.125 1.00 0.00 H new ATOM 0 HB3 ARG A 33 0.712 -15.672 -32.794 1.00 0.00 H new ATOM 0 HG2 ARG A 33 0.737 -13.038 -32.617 1.00 0.00 H new ATOM 0 HG3 ARG A 33 1.369 -13.109 -34.250 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -1.323 -14.162 -33.306 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -1.043 -12.729 -34.275 1.00 0.00 H new ATOM 0 HE ARG A 33 -0.947 -15.554 -35.201 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -0.226 -12.183 -36.157 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -0.475 -12.564 -37.864 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -1.345 -15.868 -37.317 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -1.086 -14.578 -38.496 1.00 0.00 H new ATOM 507 N LYS A 34 3.775 -17.135 -32.557 1.00 0.00 N ATOM 508 CA LYS A 34 4.379 -18.431 -32.142 1.00 0.00 C ATOM 509 C LYS A 34 5.393 -18.348 -30.944 1.00 0.00 C ATOM 510 O LYS A 34 5.263 -19.127 -29.996 1.00 0.00 O ATOM 511 CB LYS A 34 4.941 -19.083 -33.432 1.00 0.00 C ATOM 512 CG LYS A 34 5.377 -20.553 -33.254 1.00 0.00 C ATOM 513 CD LYS A 34 5.818 -21.214 -34.573 1.00 0.00 C ATOM 514 CE LYS A 34 6.263 -22.674 -34.365 1.00 0.00 C ATOM 515 NZ LYS A 34 6.661 -23.275 -35.667 1.00 0.00 N ATOM 0 H LYS A 34 3.962 -16.888 -33.529 1.00 0.00 H new ATOM 0 HA LYS A 34 3.615 -19.070 -31.700 1.00 0.00 H new ATOM 0 HB2 LYS A 34 4.182 -19.032 -34.213 1.00 0.00 H new ATOM 0 HB3 LYS A 34 5.795 -18.501 -33.779 1.00 0.00 H new ATOM 0 HG2 LYS A 34 6.198 -20.598 -32.539 1.00 0.00 H new ATOM 0 HG3 LYS A 34 4.551 -21.122 -32.827 1.00 0.00 H new ATOM 0 HD2 LYS A 34 4.995 -21.184 -35.287 1.00 0.00 H new ATOM 0 HD3 LYS A 34 6.638 -20.643 -35.008 1.00 0.00 H new ATOM 0 HE2 LYS A 34 7.099 -22.712 -33.667 1.00 0.00 H new ATOM 0 HE3 LYS A 34 5.451 -23.251 -33.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 6.960 -24.260 -35.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 5.852 -23.254 -36.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 7.449 -22.732 -36.074 1.00 0.00 H new ATOM 529 N MET A 35 6.346 -17.393 -30.960 1.00 0.00 N ATOM 530 CA MET A 35 7.183 -17.029 -29.779 1.00 0.00 C ATOM 531 C MET A 35 6.383 -16.665 -28.475 1.00 0.00 C ATOM 532 O MET A 35 6.606 -17.301 -27.442 1.00 0.00 O ATOM 533 CB MET A 35 8.128 -15.891 -30.258 1.00 0.00 C ATOM 534 CG MET A 35 9.258 -15.518 -29.281 1.00 0.00 C ATOM 535 SD MET A 35 10.071 -13.994 -29.805 1.00 0.00 S ATOM 536 CE MET A 35 9.006 -12.767 -29.020 1.00 0.00 C ATOM 0 H MET A 35 6.564 -16.845 -31.793 1.00 0.00 H new ATOM 0 HA MET A 35 7.744 -17.904 -29.451 1.00 0.00 H new ATOM 0 HB2 MET A 35 8.574 -16.187 -31.207 1.00 0.00 H new ATOM 0 HB3 MET A 35 7.529 -15.001 -30.451 1.00 0.00 H new ATOM 0 HG2 MET A 35 8.852 -15.394 -28.277 1.00 0.00 H new ATOM 0 HG3 MET A 35 9.986 -16.327 -29.232 1.00 0.00 H new ATOM 0 HE1 MET A 35 9.374 -11.767 -29.248 1.00 0.00 H new ATOM 0 HE2 MET A 35 7.989 -12.874 -29.397 1.00 0.00 H new ATOM 0 HE3 MET A 35 9.011 -12.918 -27.941 1.00 0.00 H new ATOM 546 N GLY A 36 5.448 -15.692 -28.522 1.00 0.00 N ATOM 547 CA GLY A 36 4.552 -15.365 -27.376 1.00 0.00 C ATOM 548 C GLY A 36 3.631 -16.476 -26.814 1.00 0.00 C ATOM 549 O GLY A 36 3.504 -16.586 -25.594 1.00 0.00 O ATOM 0 H GLY A 36 5.288 -15.111 -29.345 1.00 0.00 H new ATOM 0 HA2 GLY A 36 5.178 -15.009 -26.558 1.00 0.00 H new ATOM 0 HA3 GLY A 36 3.918 -14.531 -27.679 1.00 0.00 H new ATOM 553 N ALA A 37 3.009 -17.293 -27.681 1.00 0.00 N ATOM 554 CA ALA A 37 2.252 -18.503 -27.261 1.00 0.00 C ATOM 555 C ALA A 37 3.054 -19.608 -26.491 1.00 0.00 C ATOM 556 O ALA A 37 2.558 -20.100 -25.474 1.00 0.00 O ATOM 557 CB ALA A 37 1.568 -19.052 -28.529 1.00 0.00 C ATOM 0 H ALA A 37 3.012 -17.142 -28.690 1.00 0.00 H new ATOM 0 HA ALA A 37 1.536 -18.195 -26.499 1.00 0.00 H new ATOM 0 HB1 ALA A 37 0.996 -19.945 -28.276 1.00 0.00 H new ATOM 0 HB2 ALA A 37 0.898 -18.295 -28.938 1.00 0.00 H new ATOM 0 HB3 ALA A 37 2.326 -19.304 -29.271 1.00 0.00 H new ATOM 563 N MET A 38 4.274 -19.983 -26.931 1.00 0.00 N ATOM 564 CA MET A 38 5.176 -20.876 -26.135 1.00 0.00 C ATOM 565 C MET A 38 5.923 -20.249 -24.899 1.00 0.00 C ATOM 566 O MET A 38 6.352 -21.000 -24.018 1.00 0.00 O ATOM 567 CB MET A 38 6.137 -21.626 -27.101 1.00 0.00 C ATOM 568 CG MET A 38 7.305 -20.817 -27.705 1.00 0.00 C ATOM 569 SD MET A 38 8.388 -21.895 -28.665 1.00 0.00 S ATOM 570 CE MET A 38 7.689 -21.690 -30.311 1.00 0.00 C ATOM 0 H MET A 38 4.665 -19.689 -27.826 1.00 0.00 H new ATOM 0 HA MET A 38 4.507 -21.575 -25.634 1.00 0.00 H new ATOM 0 HB2 MET A 38 6.557 -22.477 -26.565 1.00 0.00 H new ATOM 0 HB3 MET A 38 5.544 -22.028 -27.923 1.00 0.00 H new ATOM 0 HG2 MET A 38 6.915 -20.023 -28.342 1.00 0.00 H new ATOM 0 HG3 MET A 38 7.873 -20.337 -26.908 1.00 0.00 H new ATOM 0 HE1 MET A 38 8.250 -22.295 -31.023 1.00 0.00 H new ATOM 0 HE2 MET A 38 6.647 -22.009 -30.306 1.00 0.00 H new ATOM 0 HE3 MET A 38 7.746 -20.641 -30.602 1.00 0.00 H new ATOM 580 N ALA A 39 6.116 -18.915 -24.831 1.00 0.00 N ATOM 581 CA ALA A 39 6.914 -18.258 -23.766 1.00 0.00 C ATOM 582 C ALA A 39 6.286 -18.293 -22.335 1.00 0.00 C ATOM 583 O ALA A 39 5.125 -17.925 -22.130 1.00 0.00 O ATOM 584 CB ALA A 39 7.128 -16.799 -24.220 1.00 0.00 C ATOM 0 H ALA A 39 5.725 -18.261 -25.510 1.00 0.00 H new ATOM 0 HA ALA A 39 7.844 -18.816 -23.654 1.00 0.00 H new ATOM 0 HB1 ALA A 39 7.712 -16.266 -23.470 1.00 0.00 H new ATOM 0 HB2 ALA A 39 7.662 -16.788 -25.170 1.00 0.00 H new ATOM 0 HB3 ALA A 39 6.161 -16.310 -24.341 1.00 0.00 H new ATOM 590 N LYS A 40 7.107 -18.655 -21.332 1.00 0.00 N ATOM 591 CA LYS A 40 6.774 -18.458 -19.892 1.00 0.00 C ATOM 592 C LYS A 40 7.556 -17.224 -19.302 1.00 0.00 C ATOM 593 O LYS A 40 8.649 -17.421 -18.761 1.00 0.00 O ATOM 594 CB LYS A 40 6.936 -19.795 -19.105 1.00 0.00 C ATOM 595 CG LYS A 40 8.323 -20.493 -19.109 1.00 0.00 C ATOM 596 CD LYS A 40 8.387 -21.705 -18.157 1.00 0.00 C ATOM 597 CE LYS A 40 9.797 -22.324 -18.118 1.00 0.00 C ATOM 598 NZ LYS A 40 9.827 -23.457 -17.154 1.00 0.00 N ATOM 0 H LYS A 40 8.017 -19.090 -21.486 1.00 0.00 H new ATOM 0 HA LYS A 40 5.722 -18.195 -19.781 1.00 0.00 H new ATOM 0 HB2 LYS A 40 6.664 -19.604 -18.067 1.00 0.00 H new ATOM 0 HB3 LYS A 40 6.207 -20.503 -19.500 1.00 0.00 H new ATOM 0 HG2 LYS A 40 8.557 -20.820 -20.122 1.00 0.00 H new ATOM 0 HG3 LYS A 40 9.088 -19.771 -18.823 1.00 0.00 H new ATOM 0 HD2 LYS A 40 8.098 -21.395 -17.153 1.00 0.00 H new ATOM 0 HD3 LYS A 40 7.667 -22.458 -18.478 1.00 0.00 H new ATOM 0 HE2 LYS A 40 10.078 -22.673 -19.112 1.00 0.00 H new ATOM 0 HE3 LYS A 40 10.527 -21.569 -17.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 10.781 -23.870 -17.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 9.578 -23.112 -16.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 9.143 -24.182 -17.449 1.00 0.00 H new ATOM 612 N PRO A 41 7.076 -15.943 -19.370 1.00 0.00 N ATOM 613 CA PRO A 41 7.818 -14.782 -18.811 1.00 0.00 C ATOM 614 C PRO A 41 7.746 -14.633 -17.257 1.00 0.00 C ATOM 615 O PRO A 41 6.697 -14.829 -16.630 1.00 0.00 O ATOM 616 CB PRO A 41 7.164 -13.596 -19.546 1.00 0.00 C ATOM 617 CG PRO A 41 5.738 -14.057 -19.858 1.00 0.00 C ATOM 618 CD PRO A 41 5.909 -15.540 -20.176 1.00 0.00 C ATOM 0 HA PRO A 41 8.893 -14.875 -18.968 1.00 0.00 H new ATOM 0 HB2 PRO A 41 7.162 -12.700 -18.925 1.00 0.00 H new ATOM 0 HB3 PRO A 41 7.707 -13.350 -20.458 1.00 0.00 H new ATOM 0 HG2 PRO A 41 5.071 -13.902 -19.010 1.00 0.00 H new ATOM 0 HG3 PRO A 41 5.314 -13.511 -20.701 1.00 0.00 H new ATOM 0 HD2 PRO A 41 5.021 -16.111 -19.907 1.00 0.00 H new ATOM 0 HD3 PRO A 41 6.082 -15.703 -21.240 1.00 0.00 H new ATOM 626 N ASP A 42 8.876 -14.201 -16.681 1.00 0.00 N ATOM 627 CA ASP A 42 8.958 -13.767 -15.264 1.00 0.00 C ATOM 628 C ASP A 42 8.802 -12.215 -15.193 1.00 0.00 C ATOM 629 O ASP A 42 9.732 -11.455 -15.480 1.00 0.00 O ATOM 630 CB ASP A 42 10.304 -14.245 -14.654 1.00 0.00 C ATOM 631 CG ASP A 42 10.368 -15.679 -14.126 1.00 0.00 C ATOM 632 OD1 ASP A 42 9.468 -16.506 -14.386 1.00 0.00 O ATOM 633 OD2 ASP A 42 11.348 -15.971 -13.407 1.00 0.00 O ATOM 0 H ASP A 42 9.765 -14.139 -17.178 1.00 0.00 H new ATOM 0 HA ASP A 42 8.153 -14.213 -14.680 1.00 0.00 H new ATOM 0 HB2 ASP A 42 11.077 -14.131 -15.414 1.00 0.00 H new ATOM 0 HB3 ASP A 42 10.560 -13.573 -13.835 1.00 0.00 H new ATOM 638 N CYS A 43 7.614 -11.743 -14.787 1.00 0.00 N ATOM 639 CA CYS A 43 7.353 -10.303 -14.548 1.00 0.00 C ATOM 640 C CYS A 43 7.875 -9.868 -13.142 1.00 0.00 C ATOM 641 O CYS A 43 7.263 -10.142 -12.108 1.00 0.00 O ATOM 642 CB CYS A 43 5.840 -10.107 -14.772 1.00 0.00 C ATOM 643 SG CYS A 43 5.376 -8.370 -14.497 1.00 0.00 S ATOM 0 H CYS A 43 6.806 -12.340 -14.614 1.00 0.00 H new ATOM 0 HA CYS A 43 7.896 -9.651 -15.233 1.00 0.00 H new ATOM 0 HB2 CYS A 43 5.575 -10.404 -15.787 1.00 0.00 H new ATOM 0 HB3 CYS A 43 5.279 -10.751 -14.094 1.00 0.00 H new ATOM 0 HG CYS A 43 4.356 -8.315 -13.693 1.00 0.00 H new ATOM 649 N ILE A 44 9.045 -9.219 -13.112 1.00 0.00 N ATOM 650 CA ILE A 44 9.786 -8.903 -11.856 1.00 0.00 C ATOM 651 C ILE A 44 9.396 -7.454 -11.425 1.00 0.00 C ATOM 652 O ILE A 44 9.861 -6.479 -12.026 1.00 0.00 O ATOM 653 CB ILE A 44 11.332 -9.098 -12.054 1.00 0.00 C ATOM 654 CG1 ILE A 44 11.761 -10.517 -12.543 1.00 0.00 C ATOM 655 CG2 ILE A 44 12.150 -8.758 -10.779 1.00 0.00 C ATOM 656 CD1 ILE A 44 13.013 -10.489 -13.434 1.00 0.00 C ATOM 0 H ILE A 44 9.518 -8.891 -13.954 1.00 0.00 H new ATOM 0 HA ILE A 44 9.511 -9.589 -11.055 1.00 0.00 H new ATOM 0 HB ILE A 44 11.561 -8.388 -12.849 1.00 0.00 H new ATOM 0 HG12 ILE A 44 11.951 -11.152 -11.678 1.00 0.00 H new ATOM 0 HG13 ILE A 44 10.938 -10.970 -13.096 1.00 0.00 H new ATOM 0 HG21 ILE A 44 13.211 -8.911 -10.976 1.00 0.00 H new ATOM 0 HG22 ILE A 44 11.979 -7.717 -10.504 1.00 0.00 H new ATOM 0 HG23 ILE A 44 11.835 -9.406 -9.961 1.00 0.00 H new ATOM 0 HD11 ILE A 44 13.263 -11.504 -13.743 1.00 0.00 H new ATOM 0 HD12 ILE A 44 12.818 -9.879 -14.316 1.00 0.00 H new ATOM 0 HD13 ILE A 44 13.847 -10.064 -12.876 1.00 0.00 H new ATOM 668 N ILE A 45 8.543 -7.325 -10.396 1.00 0.00 N ATOM 669 CA ILE A 45 8.025 -6.003 -9.927 1.00 0.00 C ATOM 670 C ILE A 45 8.793 -5.598 -8.625 1.00 0.00 C ATOM 671 O ILE A 45 8.843 -6.373 -7.661 1.00 0.00 O ATOM 672 CB ILE A 45 6.459 -6.020 -9.737 1.00 0.00 C ATOM 673 CG1 ILE A 45 5.677 -6.450 -11.017 1.00 0.00 C ATOM 674 CG2 ILE A 45 5.925 -4.644 -9.245 1.00 0.00 C ATOM 675 CD1 ILE A 45 4.159 -6.662 -10.865 1.00 0.00 C ATOM 0 H ILE A 45 8.188 -8.118 -9.862 1.00 0.00 H new ATOM 0 HA ILE A 45 8.210 -5.245 -10.688 1.00 0.00 H new ATOM 0 HB ILE A 45 6.278 -6.777 -8.974 1.00 0.00 H new ATOM 0 HG12 ILE A 45 5.839 -5.693 -11.784 1.00 0.00 H new ATOM 0 HG13 ILE A 45 6.114 -7.378 -11.387 1.00 0.00 H new ATOM 0 HG21 ILE A 45 4.843 -4.695 -9.126 1.00 0.00 H new ATOM 0 HG22 ILE A 45 6.384 -4.397 -8.288 1.00 0.00 H new ATOM 0 HG23 ILE A 45 6.174 -3.875 -9.976 1.00 0.00 H new ATOM 0 HD11 ILE A 45 3.735 -6.958 -11.825 1.00 0.00 H new ATOM 0 HD12 ILE A 45 3.973 -7.444 -10.129 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.693 -5.734 -10.533 1.00 0.00 H new ATOM 687 N THR A 46 9.310 -4.356 -8.564 1.00 0.00 N ATOM 688 CA THR A 46 9.663 -3.694 -7.267 1.00 0.00 C ATOM 689 C THR A 46 9.210 -2.192 -7.222 1.00 0.00 C ATOM 690 O THR A 46 9.119 -1.519 -8.256 1.00 0.00 O ATOM 691 CB THR A 46 11.137 -3.956 -6.833 1.00 0.00 C ATOM 692 OG1 THR A 46 11.335 -3.579 -5.467 1.00 0.00 O ATOM 693 CG2 THR A 46 12.213 -3.236 -7.663 1.00 0.00 C ATOM 0 H THR A 46 9.497 -3.783 -9.387 1.00 0.00 H new ATOM 0 HA THR A 46 9.075 -4.178 -6.488 1.00 0.00 H new ATOM 0 HB THR A 46 11.265 -5.026 -6.995 1.00 0.00 H new ATOM 0 HG1 THR A 46 10.655 -4.008 -4.907 1.00 0.00 H new ATOM 0 HG21 THR A 46 13.200 -3.488 -7.276 1.00 0.00 H new ATOM 0 HG22 THR A 46 12.140 -3.550 -8.704 1.00 0.00 H new ATOM 0 HG23 THR A 46 12.062 -2.158 -7.598 1.00 0.00 H new ATOM 701 N CYS A 47 8.887 -1.674 -6.020 1.00 0.00 N ATOM 702 CA CYS A 47 8.236 -0.349 -5.848 1.00 0.00 C ATOM 703 C CYS A 47 8.762 0.447 -4.610 1.00 0.00 C ATOM 704 O CYS A 47 8.721 -0.038 -3.476 1.00 0.00 O ATOM 705 CB CYS A 47 6.714 -0.619 -5.760 1.00 0.00 C ATOM 706 SG CYS A 47 5.785 0.942 -5.598 1.00 0.00 S ATOM 0 H CYS A 47 9.067 -2.157 -5.140 1.00 0.00 H new ATOM 0 HA CYS A 47 8.477 0.294 -6.695 1.00 0.00 H new ATOM 0 HB2 CYS A 47 6.383 -1.153 -6.651 1.00 0.00 H new ATOM 0 HB3 CYS A 47 6.503 -1.263 -4.906 1.00 0.00 H new ATOM 0 HG CYS A 47 6.285 1.830 -6.404 1.00 0.00 H new ATOM 712 N ASP A 48 9.162 1.719 -4.818 1.00 0.00 N ATOM 713 CA ASP A 48 9.390 2.699 -3.706 1.00 0.00 C ATOM 714 C ASP A 48 8.080 3.149 -2.954 1.00 0.00 C ATOM 715 O ASP A 48 8.058 3.241 -1.724 1.00 0.00 O ATOM 716 CB ASP A 48 10.116 3.977 -4.229 1.00 0.00 C ATOM 717 CG ASP A 48 11.487 3.860 -4.896 1.00 0.00 C ATOM 718 OD1 ASP A 48 12.326 3.049 -4.453 1.00 0.00 O ATOM 719 OD2 ASP A 48 11.734 4.627 -5.857 1.00 0.00 O ATOM 0 H ASP A 48 9.338 2.104 -5.746 1.00 0.00 H new ATOM 0 HA ASP A 48 10.009 2.160 -2.989 1.00 0.00 H new ATOM 0 HB2 ASP A 48 9.449 4.459 -4.943 1.00 0.00 H new ATOM 0 HB3 ASP A 48 10.224 4.657 -3.384 1.00 0.00 H new ATOM 724 N GLY A 49 7.017 3.493 -3.703 1.00 0.00 N ATOM 725 CA GLY A 49 5.780 4.099 -3.151 1.00 0.00 C ATOM 726 C GLY A 49 4.969 4.753 -4.281 1.00 0.00 C ATOM 727 O GLY A 49 4.030 4.147 -4.801 1.00 0.00 O ATOM 0 H GLY A 49 6.986 3.360 -4.714 1.00 0.00 H new ATOM 0 HA2 GLY A 49 5.180 3.335 -2.656 1.00 0.00 H new ATOM 0 HA3 GLY A 49 6.035 4.843 -2.396 1.00 0.00 H new ATOM 731 N LYS A 50 5.387 5.959 -4.709 1.00 0.00 N ATOM 732 CA LYS A 50 4.980 6.509 -6.037 1.00 0.00 C ATOM 733 C LYS A 50 5.805 5.963 -7.262 1.00 0.00 C ATOM 734 O LYS A 50 5.241 5.939 -8.351 1.00 0.00 O ATOM 735 CB LYS A 50 4.895 8.062 -5.943 1.00 0.00 C ATOM 736 CG LYS A 50 4.144 8.758 -7.114 1.00 0.00 C ATOM 737 CD LYS A 50 4.093 10.303 -7.000 1.00 0.00 C ATOM 738 CE LYS A 50 3.896 11.091 -8.319 1.00 0.00 C ATOM 739 NZ LYS A 50 2.581 10.907 -8.989 1.00 0.00 N ATOM 0 H LYS A 50 5.999 6.572 -4.170 1.00 0.00 H new ATOM 0 HA LYS A 50 3.984 6.131 -6.267 1.00 0.00 H new ATOM 0 HB2 LYS A 50 4.401 8.327 -5.008 1.00 0.00 H new ATOM 0 HB3 LYS A 50 5.907 8.463 -5.893 1.00 0.00 H new ATOM 0 HG2 LYS A 50 4.627 8.489 -8.053 1.00 0.00 H new ATOM 0 HG3 LYS A 50 3.125 8.373 -7.158 1.00 0.00 H new ATOM 0 HD2 LYS A 50 3.282 10.568 -6.321 1.00 0.00 H new ATOM 0 HD3 LYS A 50 5.020 10.641 -6.537 1.00 0.00 H new ATOM 0 HE2 LYS A 50 4.032 12.152 -8.111 1.00 0.00 H new ATOM 0 HE3 LYS A 50 4.682 10.800 -9.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 2.546 11.489 -9.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 2.457 9.906 -9.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 1.819 11.198 -8.344 1.00 0.00 H new ATOM 753 N ASN A 51 7.069 5.504 -7.147 1.00 0.00 N ATOM 754 CA ASN A 51 7.796 4.823 -8.269 1.00 0.00 C ATOM 755 C ASN A 51 7.561 3.279 -8.298 1.00 0.00 C ATOM 756 O ASN A 51 7.614 2.621 -7.256 1.00 0.00 O ATOM 757 CB ASN A 51 9.322 5.076 -8.170 1.00 0.00 C ATOM 758 CG ASN A 51 9.805 6.519 -8.326 1.00 0.00 C ATOM 759 OD1 ASN A 51 9.281 7.308 -9.111 1.00 0.00 O ATOM 760 ND2 ASN A 51 10.847 6.878 -7.616 1.00 0.00 N ATOM 0 H ASN A 51 7.619 5.587 -6.292 1.00 0.00 H new ATOM 0 HA ASN A 51 7.392 5.252 -9.186 1.00 0.00 H new ATOM 0 HB2 ASN A 51 9.663 4.709 -7.202 1.00 0.00 H new ATOM 0 HB3 ASN A 51 9.814 4.471 -8.931 1.00 0.00 H new ATOM 0 HD21 ASN A 51 11.230 7.818 -7.712 1.00 0.00 H new ATOM 0 HD22 ASN A 51 11.275 6.217 -6.968 1.00 0.00 H new ATOM 767 N LEU A 52 7.372 2.699 -9.499 1.00 0.00 N ATOM 768 CA LEU A 52 7.245 1.225 -9.689 1.00 0.00 C ATOM 769 C LEU A 52 8.016 0.770 -10.975 1.00 0.00 C ATOM 770 O LEU A 52 7.772 1.263 -12.083 1.00 0.00 O ATOM 771 CB LEU A 52 5.729 0.880 -9.664 1.00 0.00 C ATOM 772 CG LEU A 52 5.341 -0.624 -9.671 1.00 0.00 C ATOM 773 CD1 LEU A 52 4.011 -0.847 -8.929 1.00 0.00 C ATOM 774 CD2 LEU A 52 5.215 -1.174 -11.102 1.00 0.00 C ATOM 0 H LEU A 52 7.302 3.229 -10.367 1.00 0.00 H new ATOM 0 HA LEU A 52 7.717 0.660 -8.885 1.00 0.00 H new ATOM 0 HB2 LEU A 52 5.294 1.337 -8.775 1.00 0.00 H new ATOM 0 HB3 LEU A 52 5.261 1.353 -10.527 1.00 0.00 H new ATOM 0 HG LEU A 52 6.142 -1.160 -9.161 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.758 -1.907 -8.946 1.00 0.00 H new ATOM 0 HD12 LEU A 52 4.111 -0.514 -7.896 1.00 0.00 H new ATOM 0 HD13 LEU A 52 3.221 -0.278 -9.419 1.00 0.00 H new ATOM 0 HD21 LEU A 52 4.942 -2.229 -11.064 1.00 0.00 H new ATOM 0 HD22 LEU A 52 4.445 -0.619 -11.638 1.00 0.00 H new ATOM 0 HD23 LEU A 52 6.168 -1.064 -11.619 1.00 0.00 H new ATOM 786 N THR A 53 8.934 -0.200 -10.817 1.00 0.00 N ATOM 787 CA THR A 53 9.754 -0.773 -11.925 1.00 0.00 C ATOM 788 C THR A 53 9.301 -2.236 -12.239 1.00 0.00 C ATOM 789 O THR A 53 9.142 -3.060 -11.332 1.00 0.00 O ATOM 790 CB THR A 53 11.265 -0.646 -11.554 1.00 0.00 C ATOM 791 OG1 THR A 53 11.642 0.728 -11.539 1.00 0.00 O ATOM 792 CG2 THR A 53 12.249 -1.316 -12.527 1.00 0.00 C ATOM 0 H THR A 53 9.138 -0.620 -9.910 1.00 0.00 H new ATOM 0 HA THR A 53 9.601 -0.215 -12.849 1.00 0.00 H new ATOM 0 HB THR A 53 11.336 -1.148 -10.589 1.00 0.00 H new ATOM 0 HG1 THR A 53 12.590 0.804 -11.305 1.00 0.00 H new ATOM 0 HG21 THR A 53 13.269 -1.166 -12.173 1.00 0.00 H new ATOM 0 HG22 THR A 53 12.037 -2.384 -12.581 1.00 0.00 H new ATOM 0 HG23 THR A 53 12.140 -0.874 -13.517 1.00 0.00 H new ATOM 800 N ILE A 54 9.132 -2.554 -13.540 1.00 0.00 N ATOM 801 CA ILE A 54 8.790 -3.932 -14.011 1.00 0.00 C ATOM 802 C ILE A 54 9.892 -4.391 -15.027 1.00 0.00 C ATOM 803 O ILE A 54 10.054 -3.797 -16.101 1.00 0.00 O ATOM 804 CB ILE A 54 7.331 -4.062 -14.597 1.00 0.00 C ATOM 805 CG1 ILE A 54 6.241 -3.464 -13.652 1.00 0.00 C ATOM 806 CG2 ILE A 54 7.012 -5.541 -14.955 1.00 0.00 C ATOM 807 CD1 ILE A 54 4.754 -3.675 -13.998 1.00 0.00 C ATOM 0 H ILE A 54 9.226 -1.875 -14.296 1.00 0.00 H new ATOM 0 HA ILE A 54 8.782 -4.600 -13.149 1.00 0.00 H new ATOM 0 HB ILE A 54 7.305 -3.467 -15.510 1.00 0.00 H new ATOM 0 HG12 ILE A 54 6.408 -3.874 -12.656 1.00 0.00 H new ATOM 0 HG13 ILE A 54 6.415 -2.390 -13.588 1.00 0.00 H new ATOM 0 HG21 ILE A 54 6.001 -5.608 -15.357 1.00 0.00 H new ATOM 0 HG22 ILE A 54 7.724 -5.897 -15.700 1.00 0.00 H new ATOM 0 HG23 ILE A 54 7.087 -6.157 -14.059 1.00 0.00 H new ATOM 0 HD11 ILE A 54 4.133 -3.197 -13.241 1.00 0.00 H new ATOM 0 HD12 ILE A 54 4.541 -3.235 -14.972 1.00 0.00 H new ATOM 0 HD13 ILE A 54 4.535 -4.742 -14.026 1.00 0.00 H new ATOM 819 N LYS A 55 10.599 -5.494 -14.715 1.00 0.00 N ATOM 820 CA LYS A 55 11.410 -6.241 -15.717 1.00 0.00 C ATOM 821 C LYS A 55 10.671 -7.552 -16.138 1.00 0.00 C ATOM 822 O LYS A 55 10.606 -8.512 -15.369 1.00 0.00 O ATOM 823 CB LYS A 55 12.835 -6.498 -15.148 1.00 0.00 C ATOM 824 CG LYS A 55 13.805 -7.090 -16.197 1.00 0.00 C ATOM 825 CD LYS A 55 15.201 -7.462 -15.659 1.00 0.00 C ATOM 826 CE LYS A 55 16.159 -7.785 -16.824 1.00 0.00 C ATOM 827 NZ LYS A 55 17.340 -8.568 -16.374 1.00 0.00 N ATOM 0 H LYS A 55 10.630 -5.894 -13.777 1.00 0.00 H new ATOM 0 HA LYS A 55 11.529 -5.648 -16.624 1.00 0.00 H new ATOM 0 HB2 LYS A 55 13.244 -5.561 -14.770 1.00 0.00 H new ATOM 0 HB3 LYS A 55 12.765 -7.180 -14.300 1.00 0.00 H new ATOM 0 HG2 LYS A 55 13.349 -7.981 -16.628 1.00 0.00 H new ATOM 0 HG3 LYS A 55 13.924 -6.370 -17.006 1.00 0.00 H new ATOM 0 HD2 LYS A 55 15.601 -6.638 -15.069 1.00 0.00 H new ATOM 0 HD3 LYS A 55 15.124 -8.322 -14.994 1.00 0.00 H new ATOM 0 HE2 LYS A 55 15.623 -8.346 -17.589 1.00 0.00 H new ATOM 0 HE3 LYS A 55 16.494 -6.856 -17.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 18.205 -8.014 -16.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 17.249 -8.782 -15.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 17.393 -9.456 -16.912 1.00 0.00 H new ATOM 841 N THR A 56 10.173 -7.621 -17.382 1.00 0.00 N ATOM 842 CA THR A 56 9.626 -8.878 -17.975 1.00 0.00 C ATOM 843 C THR A 56 10.805 -9.725 -18.556 1.00 0.00 C ATOM 844 O THR A 56 11.277 -9.451 -19.663 1.00 0.00 O ATOM 845 CB THR A 56 8.549 -8.497 -19.040 1.00 0.00 C ATOM 846 OG1 THR A 56 7.474 -7.786 -18.433 1.00 0.00 O ATOM 847 CG2 THR A 56 7.895 -9.682 -19.769 1.00 0.00 C ATOM 0 H THR A 56 10.132 -6.820 -18.012 1.00 0.00 H new ATOM 0 HA THR A 56 9.135 -9.499 -17.226 1.00 0.00 H new ATOM 0 HB THR A 56 9.110 -7.907 -19.765 1.00 0.00 H new ATOM 0 HG1 THR A 56 6.809 -7.554 -19.115 1.00 0.00 H new ATOM 0 HG21 THR A 56 7.163 -9.309 -20.486 1.00 0.00 H new ATOM 0 HG22 THR A 56 8.660 -10.253 -20.295 1.00 0.00 H new ATOM 0 HG23 THR A 56 7.397 -10.325 -19.044 1.00 0.00 H new ATOM 855 N GLU A 57 11.274 -10.739 -17.806 1.00 0.00 N ATOM 856 CA GLU A 57 12.373 -11.642 -18.248 1.00 0.00 C ATOM 857 C GLU A 57 11.841 -12.879 -19.029 1.00 0.00 C ATOM 858 O GLU A 57 11.026 -13.661 -18.528 1.00 0.00 O ATOM 859 CB GLU A 57 13.225 -12.098 -17.025 1.00 0.00 C ATOM 860 CG GLU A 57 14.379 -11.148 -16.627 1.00 0.00 C ATOM 861 CD GLU A 57 15.631 -11.145 -17.494 1.00 0.00 C ATOM 862 OE1 GLU A 57 15.543 -11.099 -18.739 1.00 0.00 O ATOM 863 OE2 GLU A 57 16.729 -11.057 -16.902 1.00 0.00 O ATOM 0 H GLU A 57 10.909 -10.962 -16.880 1.00 0.00 H new ATOM 0 HA GLU A 57 13.003 -11.074 -18.933 1.00 0.00 H new ATOM 0 HB2 GLU A 57 12.563 -12.217 -16.167 1.00 0.00 H new ATOM 0 HB3 GLU A 57 13.645 -13.080 -17.242 1.00 0.00 H new ATOM 0 HG2 GLU A 57 13.984 -10.132 -16.607 1.00 0.00 H new ATOM 0 HG3 GLU A 57 14.678 -11.394 -15.608 1.00 0.00 H new ATOM 870 N SER A 58 12.367 -13.087 -20.245 1.00 0.00 N ATOM 871 CA SER A 58 12.197 -14.358 -20.991 1.00 0.00 C ATOM 872 C SER A 58 13.470 -14.627 -21.843 1.00 0.00 C ATOM 873 O SER A 58 13.948 -13.750 -22.572 1.00 0.00 O ATOM 874 CB SER A 58 10.921 -14.295 -21.868 1.00 0.00 C ATOM 875 OG SER A 58 10.678 -15.541 -22.524 1.00 0.00 O ATOM 0 H SER A 58 12.920 -12.389 -20.742 1.00 0.00 H new ATOM 0 HA SER A 58 12.072 -15.186 -20.293 1.00 0.00 H new ATOM 0 HB2 SER A 58 10.063 -14.035 -21.247 1.00 0.00 H new ATOM 0 HB3 SER A 58 11.027 -13.505 -22.612 1.00 0.00 H new ATOM 0 HG SER A 58 9.866 -15.471 -23.068 1.00 0.00 H new ATOM 881 N THR A 59 13.972 -15.876 -21.830 1.00 0.00 N ATOM 882 CA THR A 59 15.028 -16.339 -22.796 1.00 0.00 C ATOM 883 C THR A 59 14.695 -16.194 -24.327 1.00 0.00 C ATOM 884 O THR A 59 15.613 -16.061 -25.139 1.00 0.00 O ATOM 885 CB THR A 59 15.481 -17.801 -22.480 1.00 0.00 C ATOM 886 OG1 THR A 59 14.385 -18.711 -22.559 1.00 0.00 O ATOM 887 CG2 THR A 59 16.150 -18.002 -21.110 1.00 0.00 C ATOM 0 H THR A 59 13.674 -16.593 -21.169 1.00 0.00 H new ATOM 0 HA THR A 59 15.845 -15.638 -22.628 1.00 0.00 H new ATOM 0 HB THR A 59 16.232 -18.002 -23.244 1.00 0.00 H new ATOM 0 HG1 THR A 59 14.698 -19.618 -22.358 1.00 0.00 H new ATOM 0 HG21 THR A 59 16.426 -19.050 -20.990 1.00 0.00 H new ATOM 0 HG22 THR A 59 17.044 -17.382 -21.047 1.00 0.00 H new ATOM 0 HG23 THR A 59 15.455 -17.717 -20.320 1.00 0.00 H new ATOM 895 N LEU A 60 13.405 -16.195 -24.713 1.00 0.00 N ATOM 896 CA LEU A 60 12.956 -15.763 -26.066 1.00 0.00 C ATOM 897 C LEU A 60 13.013 -14.210 -26.291 1.00 0.00 C ATOM 898 O LEU A 60 13.634 -13.781 -27.267 1.00 0.00 O ATOM 899 CB LEU A 60 11.543 -16.357 -26.332 1.00 0.00 C ATOM 900 CG LEU A 60 11.447 -17.901 -26.494 1.00 0.00 C ATOM 901 CD1 LEU A 60 9.989 -18.368 -26.399 1.00 0.00 C ATOM 902 CD2 LEU A 60 12.048 -18.402 -27.820 1.00 0.00 C ATOM 0 H LEU A 60 12.642 -16.492 -24.105 1.00 0.00 H new ATOM 0 HA LEU A 60 13.661 -16.155 -26.800 1.00 0.00 H new ATOM 0 HB2 LEU A 60 10.891 -16.061 -25.510 1.00 0.00 H new ATOM 0 HB3 LEU A 60 11.146 -15.896 -27.236 1.00 0.00 H new ATOM 0 HG LEU A 60 12.032 -18.327 -25.678 1.00 0.00 H new ATOM 0 HD11 LEU A 60 9.946 -19.451 -26.515 1.00 0.00 H new ATOM 0 HD12 LEU A 60 9.581 -18.090 -25.427 1.00 0.00 H new ATOM 0 HD13 LEU A 60 9.403 -17.895 -27.187 1.00 0.00 H new ATOM 0 HD21 LEU A 60 11.952 -19.486 -27.876 1.00 0.00 H new ATOM 0 HD22 LEU A 60 11.516 -17.947 -28.655 1.00 0.00 H new ATOM 0 HD23 LEU A 60 13.102 -18.128 -27.868 1.00 0.00 H new ATOM 914 N LYS A 61 12.382 -13.367 -25.439 1.00 0.00 N ATOM 915 CA LYS A 61 12.518 -11.882 -25.531 1.00 0.00 C ATOM 916 C LYS A 61 12.232 -11.191 -24.157 1.00 0.00 C ATOM 917 O LYS A 61 11.089 -11.156 -23.690 1.00 0.00 O ATOM 918 CB LYS A 61 11.615 -11.315 -26.671 1.00 0.00 C ATOM 919 CG LYS A 61 11.982 -9.903 -27.199 1.00 0.00 C ATOM 920 CD LYS A 61 11.318 -8.736 -26.432 1.00 0.00 C ATOM 921 CE LYS A 61 11.861 -7.329 -26.755 1.00 0.00 C ATOM 922 NZ LYS A 61 11.491 -6.899 -28.133 1.00 0.00 N ATOM 0 H LYS A 61 11.775 -13.682 -24.682 1.00 0.00 H new ATOM 0 HA LYS A 61 13.553 -11.653 -25.785 1.00 0.00 H new ATOM 0 HB2 LYS A 61 11.643 -12.012 -27.509 1.00 0.00 H new ATOM 0 HB3 LYS A 61 10.586 -11.290 -26.312 1.00 0.00 H new ATOM 0 HG2 LYS A 61 13.064 -9.782 -27.152 1.00 0.00 H new ATOM 0 HG3 LYS A 61 11.699 -9.838 -28.250 1.00 0.00 H new ATOM 0 HD2 LYS A 61 10.248 -8.750 -26.642 1.00 0.00 H new ATOM 0 HD3 LYS A 61 11.436 -8.914 -25.363 1.00 0.00 H new ATOM 0 HE2 LYS A 61 11.469 -6.613 -26.033 1.00 0.00 H new ATOM 0 HE3 LYS A 61 12.946 -7.325 -26.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 11.859 -5.942 -28.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 11.900 -7.559 -28.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 10.455 -6.895 -28.229 1.00 0.00 H new ATOM 936 N THR A 62 13.259 -10.554 -23.570 1.00 0.00 N ATOM 937 CA THR A 62 13.106 -9.673 -22.370 1.00 0.00 C ATOM 938 C THR A 62 12.686 -8.208 -22.768 1.00 0.00 C ATOM 939 O THR A 62 13.190 -7.636 -23.742 1.00 0.00 O ATOM 940 CB THR A 62 14.434 -9.744 -21.538 1.00 0.00 C ATOM 941 OG1 THR A 62 14.561 -11.041 -20.949 1.00 0.00 O ATOM 942 CG2 THR A 62 14.580 -8.737 -20.383 1.00 0.00 C ATOM 0 H THR A 62 14.221 -10.626 -23.902 1.00 0.00 H new ATOM 0 HA THR A 62 12.289 -10.028 -21.742 1.00 0.00 H new ATOM 0 HB THR A 62 15.204 -9.503 -22.271 1.00 0.00 H new ATOM 0 HG1 THR A 62 15.346 -11.058 -20.362 1.00 0.00 H new ATOM 0 HG21 THR A 62 15.539 -8.888 -19.887 1.00 0.00 H new ATOM 0 HG22 THR A 62 14.532 -7.722 -20.777 1.00 0.00 H new ATOM 0 HG23 THR A 62 13.773 -8.887 -19.666 1.00 0.00 H new ATOM 950 N THR A 63 11.798 -7.578 -21.971 1.00 0.00 N ATOM 951 CA THR A 63 11.561 -6.095 -22.015 1.00 0.00 C ATOM 952 C THR A 63 11.523 -5.481 -20.570 1.00 0.00 C ATOM 953 O THR A 63 11.068 -6.120 -19.617 1.00 0.00 O ATOM 954 CB THR A 63 10.335 -5.718 -22.907 1.00 0.00 C ATOM 955 OG1 THR A 63 10.351 -4.315 -23.155 1.00 0.00 O ATOM 956 CG2 THR A 63 8.940 -6.071 -22.366 1.00 0.00 C ATOM 0 H THR A 63 11.224 -8.064 -21.282 1.00 0.00 H new ATOM 0 HA THR A 63 12.414 -5.631 -22.510 1.00 0.00 H new ATOM 0 HB THR A 63 10.468 -6.330 -23.799 1.00 0.00 H new ATOM 0 HG1 THR A 63 9.604 -4.078 -23.743 1.00 0.00 H new ATOM 0 HG21 THR A 63 8.181 -5.755 -23.082 1.00 0.00 H new ATOM 0 HG22 THR A 63 8.870 -7.148 -22.215 1.00 0.00 H new ATOM 0 HG23 THR A 63 8.778 -5.560 -21.417 1.00 0.00 H new ATOM 964 N GLN A 64 12.016 -4.239 -20.395 1.00 0.00 N ATOM 965 CA GLN A 64 12.142 -3.594 -19.051 1.00 0.00 C ATOM 966 C GLN A 64 11.650 -2.114 -19.069 1.00 0.00 C ATOM 967 O GLN A 64 12.026 -1.329 -19.945 1.00 0.00 O ATOM 968 CB GLN A 64 13.618 -3.744 -18.581 1.00 0.00 C ATOM 969 CG GLN A 64 13.912 -3.381 -17.097 1.00 0.00 C ATOM 970 CD GLN A 64 14.486 -1.980 -16.857 1.00 0.00 C ATOM 971 OE1 GLN A 64 15.677 -1.738 -17.013 1.00 0.00 O ATOM 972 NE2 GLN A 64 13.687 -1.020 -16.463 1.00 0.00 N ATOM 0 H GLN A 64 12.338 -3.652 -21.164 1.00 0.00 H new ATOM 0 HA GLN A 64 11.493 -4.093 -18.332 1.00 0.00 H new ATOM 0 HB2 GLN A 64 13.926 -4.776 -18.748 1.00 0.00 H new ATOM 0 HB3 GLN A 64 14.244 -3.118 -19.216 1.00 0.00 H new ATOM 0 HG2 GLN A 64 12.987 -3.477 -16.528 1.00 0.00 H new ATOM 0 HG3 GLN A 64 14.611 -4.114 -16.694 1.00 0.00 H new ATOM 0 HE21 GLN A 64 12.693 -1.206 -16.329 1.00 0.00 H new ATOM 0 HE22 GLN A 64 14.059 -0.086 -16.290 1.00 0.00 H new ATOM 981 N PHE A 65 10.840 -1.724 -18.065 1.00 0.00 N ATOM 982 CA PHE A 65 10.294 -0.342 -17.942 1.00 0.00 C ATOM 983 C PHE A 65 10.167 0.135 -16.455 1.00 0.00 C ATOM 984 O PHE A 65 10.157 -0.661 -15.509 1.00 0.00 O ATOM 985 CB PHE A 65 8.968 -0.217 -18.749 1.00 0.00 C ATOM 986 CG PHE A 65 7.759 -1.071 -18.313 1.00 0.00 C ATOM 987 CD1 PHE A 65 6.860 -0.596 -17.352 1.00 0.00 C ATOM 988 CD2 PHE A 65 7.530 -2.314 -18.912 1.00 0.00 C ATOM 989 CE1 PHE A 65 5.736 -1.345 -17.011 1.00 0.00 C ATOM 990 CE2 PHE A 65 6.411 -3.066 -18.565 1.00 0.00 C ATOM 991 CZ PHE A 65 5.511 -2.577 -17.621 1.00 0.00 C ATOM 0 H PHE A 65 10.542 -2.349 -17.316 1.00 0.00 H new ATOM 0 HA PHE A 65 11.014 0.347 -18.385 1.00 0.00 H new ATOM 0 HB2 PHE A 65 8.662 0.829 -18.724 1.00 0.00 H new ATOM 0 HB3 PHE A 65 9.188 -0.460 -19.789 1.00 0.00 H new ATOM 0 HD1 PHE A 65 7.038 0.355 -16.873 1.00 0.00 H new ATOM 0 HD2 PHE A 65 8.225 -2.692 -19.647 1.00 0.00 H new ATOM 0 HE1 PHE A 65 5.040 -0.971 -16.275 1.00 0.00 H new ATOM 0 HE2 PHE A 65 6.241 -4.027 -19.027 1.00 0.00 H new ATOM 0 HZ PHE A 65 4.636 -3.155 -17.361 1.00 0.00 H new ATOM 1001 N SER A 66 10.076 1.461 -16.248 1.00 0.00 N ATOM 1002 CA SER A 66 9.755 2.057 -14.916 1.00 0.00 C ATOM 1003 C SER A 66 8.774 3.255 -15.059 1.00 0.00 C ATOM 1004 O SER A 66 8.939 4.100 -15.946 1.00 0.00 O ATOM 1005 CB SER A 66 11.044 2.494 -14.176 1.00 0.00 C ATOM 1006 OG SER A 66 11.962 1.416 -14.033 1.00 0.00 O ATOM 0 H SER A 66 10.219 2.153 -16.984 1.00 0.00 H new ATOM 0 HA SER A 66 9.265 1.287 -14.320 1.00 0.00 H new ATOM 0 HB2 SER A 66 11.520 3.307 -14.724 1.00 0.00 H new ATOM 0 HB3 SER A 66 10.784 2.883 -13.192 1.00 0.00 H new ATOM 0 HG SER A 66 12.068 1.201 -13.083 1.00 0.00 H new ATOM 1012 N CYS A 67 7.769 3.340 -14.166 1.00 0.00 N ATOM 1013 CA CYS A 67 6.806 4.469 -14.148 1.00 0.00 C ATOM 1014 C CYS A 67 6.540 5.007 -12.711 1.00 0.00 C ATOM 1015 O CYS A 67 6.427 4.266 -11.729 1.00 0.00 O ATOM 1016 CB CYS A 67 5.497 4.021 -14.822 1.00 0.00 C ATOM 1017 SG CYS A 67 4.398 5.469 -15.029 1.00 0.00 S ATOM 0 H CYS A 67 7.599 2.640 -13.444 1.00 0.00 H new ATOM 0 HA CYS A 67 7.243 5.299 -14.703 1.00 0.00 H new ATOM 0 HB2 CYS A 67 5.709 3.570 -15.791 1.00 0.00 H new ATOM 0 HB3 CYS A 67 5.005 3.260 -14.217 1.00 0.00 H new ATOM 0 HG CYS A 67 3.491 5.201 -15.921 1.00 0.00 H new ATOM 1023 N THR A 68 6.384 6.331 -12.627 1.00 0.00 N ATOM 1024 CA THR A 68 5.941 7.037 -11.397 1.00 0.00 C ATOM 1025 C THR A 68 4.372 7.164 -11.441 1.00 0.00 C ATOM 1026 O THR A 68 3.815 7.778 -12.355 1.00 0.00 O ATOM 1027 CB THR A 68 6.793 8.336 -11.281 1.00 0.00 C ATOM 1028 OG1 THR A 68 8.197 8.069 -11.334 1.00 0.00 O ATOM 1029 CG2 THR A 68 6.576 9.046 -9.955 1.00 0.00 C ATOM 0 H THR A 68 6.560 6.959 -13.412 1.00 0.00 H new ATOM 0 HA THR A 68 6.122 6.510 -10.460 1.00 0.00 H new ATOM 0 HB THR A 68 6.470 8.948 -12.123 1.00 0.00 H new ATOM 0 HG1 THR A 68 8.437 7.439 -10.623 1.00 0.00 H new ATOM 0 HG21 THR A 68 7.190 9.946 -9.919 1.00 0.00 H new ATOM 0 HG22 THR A 68 5.526 9.320 -9.856 1.00 0.00 H new ATOM 0 HG23 THR A 68 6.856 8.383 -9.137 1.00 0.00 H new ATOM 1037 N LEU A 69 3.652 6.512 -10.497 1.00 0.00 N ATOM 1038 CA LEU A 69 2.174 6.299 -10.581 1.00 0.00 C ATOM 1039 C LEU A 69 1.341 7.619 -10.538 1.00 0.00 C ATOM 1040 O LEU A 69 1.593 8.500 -9.710 1.00 0.00 O ATOM 1041 CB LEU A 69 1.633 5.348 -9.465 1.00 0.00 C ATOM 1042 CG LEU A 69 1.996 3.838 -9.416 1.00 0.00 C ATOM 1043 CD1 LEU A 69 2.140 3.155 -10.781 1.00 0.00 C ATOM 1044 CD2 LEU A 69 3.231 3.546 -8.572 1.00 0.00 C ATOM 0 H LEU A 69 4.071 6.117 -9.655 1.00 0.00 H new ATOM 0 HA LEU A 69 2.041 5.834 -11.558 1.00 0.00 H new ATOM 0 HB2 LEU A 69 1.943 5.776 -8.512 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.545 5.408 -9.503 1.00 0.00 H new ATOM 0 HG LEU A 69 1.121 3.401 -8.936 1.00 0.00 H new ATOM 0 HD11 LEU A 69 2.394 2.105 -10.637 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.199 3.229 -11.326 1.00 0.00 H new ATOM 0 HD13 LEU A 69 2.929 3.645 -11.351 1.00 0.00 H new ATOM 0 HD21 LEU A 69 3.431 2.475 -8.578 1.00 0.00 H new ATOM 0 HD22 LEU A 69 4.088 4.078 -8.985 1.00 0.00 H new ATOM 0 HD23 LEU A 69 3.058 3.877 -7.548 1.00 0.00 H new ATOM 1056 N GLY A 70 0.350 7.743 -11.435 1.00 0.00 N ATOM 1057 CA GLY A 70 -0.139 9.076 -11.887 1.00 0.00 C ATOM 1058 C GLY A 70 0.195 9.421 -13.355 1.00 0.00 C ATOM 1059 O GLY A 70 -0.678 9.885 -14.092 1.00 0.00 O ATOM 0 H GLY A 70 -0.131 6.952 -11.864 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -1.220 9.115 -11.756 1.00 0.00 H new ATOM 0 HA3 GLY A 70 0.288 9.843 -11.241 1.00 0.00 H new ATOM 1063 N GLU A 71 1.464 9.243 -13.752 1.00 0.00 N ATOM 1064 CA GLU A 71 2.034 9.838 -14.980 1.00 0.00 C ATOM 1065 C GLU A 71 2.066 8.840 -16.196 1.00 0.00 C ATOM 1066 O GLU A 71 1.867 7.617 -16.088 1.00 0.00 O ATOM 1067 CB GLU A 71 3.433 10.417 -14.587 1.00 0.00 C ATOM 1068 CG GLU A 71 3.456 11.660 -13.642 1.00 0.00 C ATOM 1069 CD GLU A 71 3.333 11.398 -12.142 1.00 0.00 C ATOM 1070 OE1 GLU A 71 4.324 10.972 -11.519 1.00 0.00 O ATOM 1071 OE2 GLU A 71 2.261 11.645 -11.546 1.00 0.00 O ATOM 0 H GLU A 71 2.133 8.678 -13.228 1.00 0.00 H new ATOM 0 HA GLU A 71 1.397 10.640 -15.352 1.00 0.00 H new ATOM 0 HB2 GLU A 71 4.005 9.621 -14.111 1.00 0.00 H new ATOM 0 HB3 GLU A 71 3.958 10.682 -15.505 1.00 0.00 H new ATOM 0 HG2 GLU A 71 4.387 12.199 -13.816 1.00 0.00 H new ATOM 0 HG3 GLU A 71 2.643 12.324 -13.937 1.00 0.00 H new ATOM 1078 N LYS A 72 2.275 9.441 -17.384 1.00 0.00 N ATOM 1079 CA LYS A 72 2.231 8.749 -18.702 1.00 0.00 C ATOM 1080 C LYS A 72 3.654 8.655 -19.345 1.00 0.00 C ATOM 1081 O LYS A 72 4.353 9.666 -19.466 1.00 0.00 O ATOM 1082 CB LYS A 72 1.226 9.526 -19.600 1.00 0.00 C ATOM 1083 CG LYS A 72 0.647 8.727 -20.794 1.00 0.00 C ATOM 1084 CD LYS A 72 -0.191 9.620 -21.741 1.00 0.00 C ATOM 1085 CE LYS A 72 -1.267 8.897 -22.579 1.00 0.00 C ATOM 1086 NZ LYS A 72 -2.476 8.573 -21.777 1.00 0.00 N ATOM 0 H LYS A 72 2.483 10.436 -17.464 1.00 0.00 H new ATOM 0 HA LYS A 72 1.897 7.718 -18.584 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.399 9.868 -18.978 1.00 0.00 H new ATOM 0 HB3 LYS A 72 1.723 10.416 -19.987 1.00 0.00 H new ATOM 0 HG2 LYS A 72 1.463 8.271 -21.354 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.025 7.914 -20.418 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -0.681 10.389 -21.144 1.00 0.00 H new ATOM 0 HD3 LYS A 72 0.489 10.131 -22.423 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -1.550 9.525 -23.424 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -0.849 7.979 -22.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -3.305 8.526 -22.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -2.345 7.655 -21.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -2.625 9.311 -21.060 1.00 0.00 H new ATOM 1100 N PHE A 73 4.076 7.451 -19.769 1.00 0.00 N ATOM 1101 CA PHE A 73 5.453 7.199 -20.303 1.00 0.00 C ATOM 1102 C PHE A 73 5.455 6.447 -21.680 1.00 0.00 C ATOM 1103 O PHE A 73 4.460 5.837 -22.083 1.00 0.00 O ATOM 1104 CB PHE A 73 6.302 6.486 -19.198 1.00 0.00 C ATOM 1105 CG PHE A 73 6.031 4.983 -18.966 1.00 0.00 C ATOM 1106 CD1 PHE A 73 4.855 4.577 -18.335 1.00 0.00 C ATOM 1107 CD2 PHE A 73 6.887 4.014 -19.501 1.00 0.00 C ATOM 1108 CE1 PHE A 73 4.518 3.231 -18.272 1.00 0.00 C ATOM 1109 CE2 PHE A 73 6.556 2.663 -19.418 1.00 0.00 C ATOM 1110 CZ PHE A 73 5.370 2.272 -18.801 1.00 0.00 C ATOM 0 H PHE A 73 3.485 6.619 -19.757 1.00 0.00 H new ATOM 0 HA PHE A 73 5.922 8.156 -20.534 1.00 0.00 H new ATOM 0 HB2 PHE A 73 7.356 6.605 -19.451 1.00 0.00 H new ATOM 0 HB3 PHE A 73 6.139 7.009 -18.256 1.00 0.00 H new ATOM 0 HD1 PHE A 73 4.202 5.315 -17.892 1.00 0.00 H new ATOM 0 HD2 PHE A 73 7.807 4.314 -19.980 1.00 0.00 H new ATOM 0 HE1 PHE A 73 3.590 2.930 -17.810 1.00 0.00 H new ATOM 0 HE2 PHE A 73 7.220 1.918 -19.832 1.00 0.00 H new ATOM 0 HZ PHE A 73 5.114 1.225 -18.734 1.00 0.00 H new ATOM 1120 N GLU A 74 6.613 6.431 -22.370 1.00 0.00 N ATOM 1121 CA GLU A 74 6.824 5.571 -23.570 1.00 0.00 C ATOM 1122 C GLU A 74 7.119 4.084 -23.166 1.00 0.00 C ATOM 1123 O GLU A 74 8.197 3.741 -22.669 1.00 0.00 O ATOM 1124 CB GLU A 74 7.926 6.227 -24.449 1.00 0.00 C ATOM 1125 CG GLU A 74 8.043 5.694 -25.904 1.00 0.00 C ATOM 1126 CD GLU A 74 8.940 4.484 -26.130 1.00 0.00 C ATOM 1127 OE1 GLU A 74 8.481 3.338 -25.944 1.00 0.00 O ATOM 1128 OE2 GLU A 74 10.081 4.663 -26.598 1.00 0.00 O ATOM 0 H GLU A 74 7.422 7.001 -22.123 1.00 0.00 H new ATOM 0 HA GLU A 74 5.915 5.510 -24.168 1.00 0.00 H new ATOM 0 HB2 GLU A 74 7.739 7.300 -24.490 1.00 0.00 H new ATOM 0 HB3 GLU A 74 8.887 6.089 -23.954 1.00 0.00 H new ATOM 0 HG2 GLU A 74 7.042 5.443 -26.254 1.00 0.00 H new ATOM 0 HG3 GLU A 74 8.406 6.506 -26.534 1.00 0.00 H new ATOM 1135 N GLU A 75 6.116 3.220 -23.371 1.00 0.00 N ATOM 1136 CA GLU A 75 6.199 1.763 -23.112 1.00 0.00 C ATOM 1137 C GLU A 75 6.369 1.012 -24.469 1.00 0.00 C ATOM 1138 O GLU A 75 5.394 0.721 -25.180 1.00 0.00 O ATOM 1139 CB GLU A 75 4.911 1.382 -22.334 1.00 0.00 C ATOM 1140 CG GLU A 75 4.778 -0.103 -21.905 1.00 0.00 C ATOM 1141 CD GLU A 75 3.525 -0.399 -21.097 1.00 0.00 C ATOM 1142 OE1 GLU A 75 2.405 -0.268 -21.637 1.00 0.00 O ATOM 1143 OE2 GLU A 75 3.641 -0.737 -19.903 1.00 0.00 O ATOM 0 H GLU A 75 5.206 3.511 -23.727 1.00 0.00 H new ATOM 0 HA GLU A 75 7.061 1.479 -22.509 1.00 0.00 H new ATOM 0 HB2 GLU A 75 4.856 2.002 -21.439 1.00 0.00 H new ATOM 0 HB3 GLU A 75 4.050 1.637 -22.952 1.00 0.00 H new ATOM 0 HG2 GLU A 75 4.781 -0.730 -22.796 1.00 0.00 H new ATOM 0 HG3 GLU A 75 5.652 -0.381 -21.317 1.00 0.00 H new ATOM 1150 N THR A 76 7.630 0.679 -24.801 1.00 0.00 N ATOM 1151 CA THR A 76 7.965 -0.144 -25.998 1.00 0.00 C ATOM 1152 C THR A 76 7.726 -1.659 -25.674 1.00 0.00 C ATOM 1153 O THR A 76 8.462 -2.285 -24.900 1.00 0.00 O ATOM 1154 CB THR A 76 9.388 0.223 -26.519 1.00 0.00 C ATOM 1155 OG1 THR A 76 9.369 1.498 -27.166 1.00 0.00 O ATOM 1156 CG2 THR A 76 9.962 -0.721 -27.591 1.00 0.00 C ATOM 0 H THR A 76 8.445 0.965 -24.258 1.00 0.00 H new ATOM 0 HA THR A 76 7.302 0.078 -26.834 1.00 0.00 H new ATOM 0 HB THR A 76 10.000 0.175 -25.618 1.00 0.00 H new ATOM 0 HG1 THR A 76 8.694 2.069 -26.743 1.00 0.00 H new ATOM 0 HG21 THR A 76 10.954 -0.377 -27.885 1.00 0.00 H new ATOM 0 HG22 THR A 76 10.033 -1.731 -27.186 1.00 0.00 H new ATOM 0 HG23 THR A 76 9.306 -0.724 -28.462 1.00 0.00 H new ATOM 1164 N THR A 77 6.675 -2.237 -26.281 1.00 0.00 N ATOM 1165 CA THR A 77 6.188 -3.614 -25.948 1.00 0.00 C ATOM 1166 C THR A 77 7.158 -4.771 -26.391 1.00 0.00 C ATOM 1167 O THR A 77 8.166 -4.545 -27.071 1.00 0.00 O ATOM 1168 CB THR A 77 4.729 -3.810 -26.500 1.00 0.00 C ATOM 1169 OG1 THR A 77 4.685 -3.764 -27.927 1.00 0.00 O ATOM 1170 CG2 THR A 77 3.677 -2.826 -25.956 1.00 0.00 C ATOM 0 H THR A 77 6.133 -1.778 -27.013 1.00 0.00 H new ATOM 0 HA THR A 77 6.171 -3.689 -24.861 1.00 0.00 H new ATOM 0 HB THR A 77 4.463 -4.801 -26.133 1.00 0.00 H new ATOM 0 HG1 THR A 77 3.762 -3.891 -28.230 1.00 0.00 H new ATOM 0 HG21 THR A 77 2.707 -3.048 -26.400 1.00 0.00 H new ATOM 0 HG22 THR A 77 3.612 -2.926 -24.873 1.00 0.00 H new ATOM 0 HG23 THR A 77 3.967 -1.806 -26.210 1.00 0.00 H new ATOM 1178 N ALA A 78 6.829 -6.040 -26.056 1.00 0.00 N ATOM 1179 CA ALA A 78 7.527 -7.240 -26.617 1.00 0.00 C ATOM 1180 C ALA A 78 7.735 -7.283 -28.175 1.00 0.00 C ATOM 1181 O ALA A 78 8.850 -7.550 -28.632 1.00 0.00 O ATOM 1182 CB ALA A 78 6.803 -8.492 -26.086 1.00 0.00 C ATOM 0 H ALA A 78 6.083 -6.269 -25.399 1.00 0.00 H new ATOM 0 HA ALA A 78 8.559 -7.191 -26.269 1.00 0.00 H new ATOM 0 HB1 ALA A 78 7.288 -9.386 -26.477 1.00 0.00 H new ATOM 0 HB2 ALA A 78 6.846 -8.503 -24.997 1.00 0.00 H new ATOM 0 HB3 ALA A 78 5.762 -8.474 -26.408 1.00 0.00 H new ATOM 1188 N ASP A 79 6.710 -6.912 -28.963 1.00 0.00 N ATOM 1189 CA ASP A 79 6.845 -6.594 -30.414 1.00 0.00 C ATOM 1190 C ASP A 79 7.791 -5.400 -30.805 1.00 0.00 C ATOM 1191 O ASP A 79 8.501 -5.487 -31.809 1.00 0.00 O ATOM 1192 CB ASP A 79 5.438 -6.258 -30.980 1.00 0.00 C ATOM 1193 CG ASP A 79 4.311 -7.269 -30.840 1.00 0.00 C ATOM 1194 OD1 ASP A 79 3.830 -7.497 -29.708 1.00 0.00 O ATOM 1195 OD2 ASP A 79 3.759 -7.664 -31.881 1.00 0.00 O ATOM 0 H ASP A 79 5.754 -6.821 -28.618 1.00 0.00 H new ATOM 0 HA ASP A 79 7.307 -7.487 -30.835 1.00 0.00 H new ATOM 0 HB2 ASP A 79 5.108 -5.334 -30.506 1.00 0.00 H new ATOM 0 HB3 ASP A 79 5.556 -6.046 -32.043 1.00 0.00 H new ATOM 1200 N GLY A 80 7.724 -4.269 -30.078 1.00 0.00 N ATOM 1201 CA GLY A 80 8.265 -2.961 -30.546 1.00 0.00 C ATOM 1202 C GLY A 80 7.293 -1.758 -30.718 1.00 0.00 C ATOM 1203 O GLY A 80 7.776 -0.703 -31.142 1.00 0.00 O ATOM 0 H GLY A 80 7.297 -4.227 -29.153 1.00 0.00 H new ATOM 0 HA2 GLY A 80 9.043 -2.657 -29.845 1.00 0.00 H new ATOM 0 HA3 GLY A 80 8.751 -3.131 -31.507 1.00 0.00 H new ATOM 1207 N ARG A 81 5.986 -1.867 -30.390 1.00 0.00 N ATOM 1208 CA ARG A 81 5.018 -0.726 -30.433 1.00 0.00 C ATOM 1209 C ARG A 81 5.298 0.328 -29.315 1.00 0.00 C ATOM 1210 O ARG A 81 5.368 -0.026 -28.135 1.00 0.00 O ATOM 1211 CB ARG A 81 3.556 -1.234 -30.242 1.00 0.00 C ATOM 1212 CG ARG A 81 2.898 -2.012 -31.410 1.00 0.00 C ATOM 1213 CD ARG A 81 1.444 -2.464 -31.099 1.00 0.00 C ATOM 1214 NE ARG A 81 1.370 -3.533 -30.059 1.00 0.00 N ATOM 1215 CZ ARG A 81 1.764 -4.795 -30.244 1.00 0.00 C ATOM 1216 NH1 ARG A 81 1.899 -5.345 -31.427 1.00 0.00 N ATOM 1217 NH2 ARG A 81 2.054 -5.511 -29.198 1.00 0.00 N ATOM 0 H ARG A 81 5.564 -2.745 -30.087 1.00 0.00 H new ATOM 0 HA ARG A 81 5.144 -0.260 -31.410 1.00 0.00 H new ATOM 0 HB2 ARG A 81 3.538 -1.876 -29.361 1.00 0.00 H new ATOM 0 HB3 ARG A 81 2.929 -0.371 -30.020 1.00 0.00 H new ATOM 0 HG2 ARG A 81 2.894 -1.384 -32.301 1.00 0.00 H new ATOM 0 HG3 ARG A 81 3.503 -2.889 -31.641 1.00 0.00 H new ATOM 0 HD2 ARG A 81 0.866 -1.602 -30.766 1.00 0.00 H new ATOM 0 HD3 ARG A 81 0.979 -2.825 -32.016 1.00 0.00 H new ATOM 0 HE ARG A 81 0.993 -3.282 -29.145 1.00 0.00 H new ATOM 0 HH11 ARG A 81 1.699 -4.803 -32.267 1.00 0.00 H new ATOM 0 HH12 ARG A 81 2.204 -6.315 -31.507 1.00 0.00 H new ATOM 0 HH21 ARG A 81 1.978 -5.105 -28.265 1.00 0.00 H new ATOM 0 HH22 ARG A 81 2.358 -6.478 -29.310 1.00 0.00 H new ATOM 1231 N LYS A 82 5.406 1.618 -29.685 1.00 0.00 N ATOM 1232 CA LYS A 82 5.685 2.721 -28.716 1.00 0.00 C ATOM 1233 C LYS A 82 4.338 3.215 -28.113 1.00 0.00 C ATOM 1234 O LYS A 82 3.632 4.048 -28.692 1.00 0.00 O ATOM 1235 CB LYS A 82 6.466 3.869 -29.422 1.00 0.00 C ATOM 1236 CG LYS A 82 7.994 3.688 -29.605 1.00 0.00 C ATOM 1237 CD LYS A 82 8.398 2.514 -30.512 1.00 0.00 C ATOM 1238 CE LYS A 82 9.910 2.274 -30.558 1.00 0.00 C ATOM 1239 NZ LYS A 82 10.135 1.073 -31.407 1.00 0.00 N ATOM 0 H LYS A 82 5.305 1.934 -30.650 1.00 0.00 H new ATOM 0 HA LYS A 82 6.313 2.360 -27.902 1.00 0.00 H new ATOM 0 HB2 LYS A 82 6.025 4.020 -30.407 1.00 0.00 H new ATOM 0 HB3 LYS A 82 6.301 4.786 -28.856 1.00 0.00 H new ATOM 0 HG2 LYS A 82 8.408 4.608 -30.018 1.00 0.00 H new ATOM 0 HG3 LYS A 82 8.449 3.546 -28.625 1.00 0.00 H new ATOM 0 HD2 LYS A 82 7.904 1.607 -30.162 1.00 0.00 H new ATOM 0 HD3 LYS A 82 8.037 2.704 -31.523 1.00 0.00 H new ATOM 0 HE2 LYS A 82 10.425 3.141 -30.972 1.00 0.00 H new ATOM 0 HE3 LYS A 82 10.306 2.117 -29.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 10.991 0.577 -31.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 9.317 0.436 -31.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 10.254 1.366 -32.398 1.00 0.00 H new ATOM 1253 N THR A 83 3.976 2.643 -26.960 1.00 0.00 N ATOM 1254 CA THR A 83 2.631 2.829 -26.350 1.00 0.00 C ATOM 1255 C THR A 83 2.707 3.906 -25.231 1.00 0.00 C ATOM 1256 O THR A 83 3.521 3.807 -24.313 1.00 0.00 O ATOM 1257 CB THR A 83 2.023 1.476 -25.862 1.00 0.00 C ATOM 1258 OG1 THR A 83 2.782 0.884 -24.815 1.00 0.00 O ATOM 1259 CG2 THR A 83 1.862 0.384 -26.932 1.00 0.00 C ATOM 0 H THR A 83 4.594 2.040 -26.417 1.00 0.00 H new ATOM 0 HA THR A 83 1.942 3.195 -27.111 1.00 0.00 H new ATOM 0 HB THR A 83 1.033 1.791 -25.532 1.00 0.00 H new ATOM 0 HG1 THR A 83 3.728 0.863 -25.069 1.00 0.00 H new ATOM 0 HG21 THR A 83 1.431 -0.509 -26.479 1.00 0.00 H new ATOM 0 HG22 THR A 83 1.203 0.744 -27.723 1.00 0.00 H new ATOM 0 HG23 THR A 83 2.837 0.142 -27.354 1.00 0.00 H new ATOM 1267 N GLN A 84 1.874 4.957 -25.297 1.00 0.00 N ATOM 1268 CA GLN A 84 1.829 6.002 -24.240 1.00 0.00 C ATOM 1269 C GLN A 84 0.988 5.500 -23.026 1.00 0.00 C ATOM 1270 O GLN A 84 -0.246 5.533 -23.044 1.00 0.00 O ATOM 1271 CB GLN A 84 1.317 7.342 -24.833 1.00 0.00 C ATOM 1272 CG GLN A 84 2.193 8.019 -25.919 1.00 0.00 C ATOM 1273 CD GLN A 84 3.610 8.406 -25.475 1.00 0.00 C ATOM 1274 OE1 GLN A 84 3.829 9.411 -24.809 1.00 0.00 O ATOM 1275 NE2 GLN A 84 4.605 7.620 -25.810 1.00 0.00 N ATOM 0 H GLN A 84 1.221 5.113 -26.065 1.00 0.00 H new ATOM 0 HA GLN A 84 2.833 6.195 -23.863 1.00 0.00 H new ATOM 0 HB2 GLN A 84 0.328 7.167 -25.257 1.00 0.00 H new ATOM 0 HB3 GLN A 84 1.191 8.048 -24.012 1.00 0.00 H new ATOM 0 HG2 GLN A 84 2.269 7.345 -26.772 1.00 0.00 H new ATOM 0 HG3 GLN A 84 1.682 8.917 -26.267 1.00 0.00 H new ATOM 0 HE21 GLN A 84 4.429 6.782 -26.364 1.00 0.00 H new ATOM 0 HE22 GLN A 84 5.555 7.847 -25.516 1.00 0.00 H new ATOM 1284 N THR A 85 1.674 4.988 -21.993 1.00 0.00 N ATOM 1285 CA THR A 85 1.027 4.203 -20.907 1.00 0.00 C ATOM 1286 C THR A 85 0.912 5.057 -19.617 1.00 0.00 C ATOM 1287 O THR A 85 1.929 5.414 -19.019 1.00 0.00 O ATOM 1288 CB THR A 85 1.770 2.847 -20.699 1.00 0.00 C ATOM 1289 OG1 THR A 85 1.730 2.078 -21.899 1.00 0.00 O ATOM 1290 CG2 THR A 85 1.164 1.953 -19.602 1.00 0.00 C ATOM 0 H THR A 85 2.681 5.099 -21.878 1.00 0.00 H new ATOM 0 HA THR A 85 0.007 3.948 -21.194 1.00 0.00 H new ATOM 0 HB THR A 85 2.781 3.129 -20.404 1.00 0.00 H new ATOM 0 HG1 THR A 85 1.809 1.126 -21.680 1.00 0.00 H new ATOM 0 HG21 THR A 85 1.741 1.031 -19.524 1.00 0.00 H new ATOM 0 HG22 THR A 85 1.190 2.480 -18.648 1.00 0.00 H new ATOM 0 HG23 THR A 85 0.131 1.714 -19.857 1.00 0.00 H new ATOM 1298 N VAL A 86 -0.323 5.342 -19.158 1.00 0.00 N ATOM 1299 CA VAL A 86 -0.556 5.906 -17.794 1.00 0.00 C ATOM 1300 C VAL A 86 -0.654 4.750 -16.744 1.00 0.00 C ATOM 1301 O VAL A 86 -1.519 3.870 -16.853 1.00 0.00 O ATOM 1302 CB VAL A 86 -1.713 6.964 -17.782 1.00 0.00 C ATOM 1303 CG1 VAL A 86 -3.131 6.437 -18.076 1.00 0.00 C ATOM 1304 CG2 VAL A 86 -1.761 7.775 -16.467 1.00 0.00 C ATOM 0 H VAL A 86 -1.175 5.196 -19.700 1.00 0.00 H new ATOM 0 HA VAL A 86 0.306 6.496 -17.481 1.00 0.00 H new ATOM 0 HB VAL A 86 -1.438 7.599 -18.624 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -3.841 7.263 -18.039 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -3.153 5.984 -19.067 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -3.404 5.690 -17.330 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -2.580 8.493 -16.512 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -1.918 7.098 -15.627 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -0.819 8.307 -16.333 1.00 0.00 H new ATOM 1314 N CYS A 87 0.261 4.734 -15.751 1.00 0.00 N ATOM 1315 CA CYS A 87 0.234 3.702 -14.674 1.00 0.00 C ATOM 1316 C CYS A 87 -0.409 4.253 -13.370 1.00 0.00 C ATOM 1317 O CYS A 87 -0.027 5.321 -12.882 1.00 0.00 O ATOM 1318 CB CYS A 87 1.658 3.179 -14.397 1.00 0.00 C ATOM 1319 SG CYS A 87 2.369 2.356 -15.856 1.00 0.00 S ATOM 0 H CYS A 87 1.020 5.410 -15.666 1.00 0.00 H new ATOM 0 HA CYS A 87 -0.384 2.874 -15.021 1.00 0.00 H new ATOM 0 HB2 CYS A 87 2.299 4.009 -14.099 1.00 0.00 H new ATOM 0 HB3 CYS A 87 1.633 2.480 -13.561 1.00 0.00 H new ATOM 0 HG CYS A 87 3.426 3.004 -16.247 1.00 0.00 H new ATOM 1325 N ASN A 88 -1.357 3.507 -12.775 1.00 0.00 N ATOM 1326 CA ASN A 88 -2.059 3.953 -11.537 1.00 0.00 C ATOM 1327 C ASN A 88 -2.302 2.739 -10.586 1.00 0.00 C ATOM 1328 O ASN A 88 -3.081 1.836 -10.906 1.00 0.00 O ATOM 1329 CB ASN A 88 -3.423 4.627 -11.895 1.00 0.00 C ATOM 1330 CG ASN A 88 -3.406 5.840 -12.836 1.00 0.00 C ATOM 1331 OD1 ASN A 88 -3.593 5.726 -14.042 1.00 0.00 O ATOM 1332 ND2 ASN A 88 -3.200 7.032 -12.334 1.00 0.00 N ATOM 0 H ASN A 88 -1.660 2.597 -13.121 1.00 0.00 H new ATOM 0 HA ASN A 88 -1.429 4.683 -11.028 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -4.063 3.867 -12.343 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -3.897 4.935 -10.963 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -3.197 7.849 -12.945 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -3.043 7.143 -11.332 1.00 0.00 H new ATOM 1339 N PHE A 89 -1.683 2.729 -9.390 1.00 0.00 N ATOM 1340 CA PHE A 89 -2.074 1.783 -8.308 1.00 0.00 C ATOM 1341 C PHE A 89 -3.366 2.265 -7.558 1.00 0.00 C ATOM 1342 O PHE A 89 -3.423 3.392 -7.057 1.00 0.00 O ATOM 1343 CB PHE A 89 -0.847 1.568 -7.370 1.00 0.00 C ATOM 1344 CG PHE A 89 -1.133 0.646 -6.168 1.00 0.00 C ATOM 1345 CD1 PHE A 89 -1.192 -0.742 -6.325 1.00 0.00 C ATOM 1346 CD2 PHE A 89 -1.519 1.216 -4.950 1.00 0.00 C ATOM 1347 CE1 PHE A 89 -1.652 -1.547 -5.283 1.00 0.00 C ATOM 1348 CE2 PHE A 89 -1.995 0.414 -3.920 1.00 0.00 C ATOM 1349 CZ PHE A 89 -2.063 -0.966 -4.085 1.00 0.00 C ATOM 0 H PHE A 89 -0.917 3.355 -9.142 1.00 0.00 H new ATOM 0 HA PHE A 89 -2.346 0.816 -8.732 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -0.027 1.147 -7.952 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -0.511 2.537 -7.000 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -0.880 -1.192 -7.256 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -1.447 2.284 -4.810 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -1.690 -2.619 -5.405 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -2.313 0.862 -2.990 1.00 0.00 H new ATOM 0 HZ PHE A 89 -2.435 -1.587 -3.284 1.00 0.00 H new ATOM 1359 N THR A 90 -4.357 1.367 -7.419 1.00 0.00 N ATOM 1360 CA THR A 90 -5.503 1.552 -6.482 1.00 0.00 C ATOM 1361 C THR A 90 -5.955 0.171 -5.902 1.00 0.00 C ATOM 1362 O THR A 90 -5.990 -0.840 -6.611 1.00 0.00 O ATOM 1363 CB THR A 90 -6.659 2.366 -7.145 1.00 0.00 C ATOM 1364 OG1 THR A 90 -7.558 2.845 -6.146 1.00 0.00 O ATOM 1365 CG2 THR A 90 -7.479 1.643 -8.227 1.00 0.00 C ATOM 0 H THR A 90 -4.396 0.494 -7.945 1.00 0.00 H new ATOM 0 HA THR A 90 -5.179 2.155 -5.634 1.00 0.00 H new ATOM 0 HB THR A 90 -6.139 3.172 -7.663 1.00 0.00 H new ATOM 0 HG1 THR A 90 -8.371 2.298 -6.148 1.00 0.00 H new ATOM 0 HG21 THR A 90 -8.249 2.313 -8.608 1.00 0.00 H new ATOM 0 HG22 THR A 90 -6.821 1.344 -9.043 1.00 0.00 H new ATOM 0 HG23 THR A 90 -7.949 0.758 -7.797 1.00 0.00 H new ATOM 1373 N ASP A 91 -6.350 0.136 -4.615 1.00 0.00 N ATOM 1374 CA ASP A 91 -7.203 -0.969 -4.048 1.00 0.00 C ATOM 1375 C ASP A 91 -6.623 -2.439 -4.096 1.00 0.00 C ATOM 1376 O ASP A 91 -7.353 -3.410 -4.322 1.00 0.00 O ATOM 1377 CB ASP A 91 -8.658 -0.875 -4.614 1.00 0.00 C ATOM 1378 CG ASP A 91 -9.359 0.479 -4.505 1.00 0.00 C ATOM 1379 OD1 ASP A 91 -9.221 1.295 -5.445 1.00 0.00 O ATOM 1380 OD2 ASP A 91 -10.017 0.743 -3.479 1.00 0.00 O ATOM 0 H ASP A 91 -6.101 0.853 -3.934 1.00 0.00 H new ATOM 0 HA ASP A 91 -7.207 -0.779 -2.975 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -8.631 -1.159 -5.666 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -9.270 -1.616 -4.100 1.00 0.00 H new ATOM 1385 N GLY A 92 -5.303 -2.615 -3.894 1.00 0.00 N ATOM 1386 CA GLY A 92 -4.614 -3.907 -4.210 1.00 0.00 C ATOM 1387 C GLY A 92 -4.384 -4.300 -5.699 1.00 0.00 C ATOM 1388 O GLY A 92 -4.175 -5.485 -5.979 1.00 0.00 O ATOM 0 H GLY A 92 -4.687 -1.894 -3.518 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -3.640 -3.888 -3.721 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -5.188 -4.708 -3.744 1.00 0.00 H new ATOM 1392 N ALA A 93 -4.400 -3.336 -6.639 1.00 0.00 N ATOM 1393 CA ALA A 93 -4.282 -3.603 -8.093 1.00 0.00 C ATOM 1394 C ALA A 93 -3.546 -2.456 -8.856 1.00 0.00 C ATOM 1395 O ALA A 93 -3.783 -1.266 -8.620 1.00 0.00 O ATOM 1396 CB ALA A 93 -5.705 -3.805 -8.656 1.00 0.00 C ATOM 0 H ALA A 93 -4.495 -2.345 -6.415 1.00 0.00 H new ATOM 0 HA ALA A 93 -3.677 -4.498 -8.238 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -5.648 -4.004 -9.726 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -6.178 -4.650 -8.155 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -6.295 -2.905 -8.485 1.00 0.00 H new ATOM 1402 N LEU A 94 -2.679 -2.821 -9.818 1.00 0.00 N ATOM 1403 CA LEU A 94 -2.043 -1.840 -10.743 1.00 0.00 C ATOM 1404 C LEU A 94 -2.827 -1.767 -12.090 1.00 0.00 C ATOM 1405 O LEU A 94 -2.844 -2.725 -12.869 1.00 0.00 O ATOM 1406 CB LEU A 94 -0.541 -2.208 -10.903 1.00 0.00 C ATOM 1407 CG LEU A 94 0.303 -1.359 -11.891 1.00 0.00 C ATOM 1408 CD1 LEU A 94 0.396 0.114 -11.468 1.00 0.00 C ATOM 1409 CD2 LEU A 94 1.719 -1.941 -12.017 1.00 0.00 C ATOM 0 H LEU A 94 -2.397 -3.787 -9.982 1.00 0.00 H new ATOM 0 HA LEU A 94 -2.087 -0.832 -10.332 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -0.073 -2.145 -9.921 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -0.482 -3.250 -11.219 1.00 0.00 H new ATOM 0 HG LEU A 94 -0.206 -1.398 -12.854 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.997 0.663 -12.193 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.605 0.544 -11.426 1.00 0.00 H new ATOM 0 HD13 LEU A 94 0.862 0.182 -10.485 1.00 0.00 H new ATOM 0 HD21 LEU A 94 2.300 -1.336 -12.713 1.00 0.00 H new ATOM 0 HD22 LEU A 94 2.203 -1.936 -11.040 1.00 0.00 H new ATOM 0 HD23 LEU A 94 1.660 -2.964 -12.387 1.00 0.00 H new ATOM 1421 N VAL A 95 -3.429 -0.601 -12.380 1.00 0.00 N ATOM 1422 CA VAL A 95 -4.063 -0.313 -13.699 1.00 0.00 C ATOM 1423 C VAL A 95 -2.966 0.306 -14.633 1.00 0.00 C ATOM 1424 O VAL A 95 -2.599 1.481 -14.521 1.00 0.00 O ATOM 1425 CB VAL A 95 -5.339 0.583 -13.521 1.00 0.00 C ATOM 1426 CG1 VAL A 95 -6.000 0.974 -14.866 1.00 0.00 C ATOM 1427 CG2 VAL A 95 -6.445 -0.076 -12.659 1.00 0.00 C ATOM 0 H VAL A 95 -3.495 0.172 -11.717 1.00 0.00 H new ATOM 0 HA VAL A 95 -4.430 -1.223 -14.173 1.00 0.00 H new ATOM 0 HB VAL A 95 -4.950 1.467 -13.015 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -6.876 1.593 -14.674 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -5.287 1.532 -15.473 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -6.302 0.072 -15.399 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -7.296 0.601 -12.579 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -6.765 -1.007 -13.127 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -6.054 -0.286 -11.663 1.00 0.00 H new ATOM 1437 N GLN A 96 -2.456 -0.516 -15.559 1.00 0.00 N ATOM 1438 CA GLN A 96 -1.479 -0.101 -16.601 1.00 0.00 C ATOM 1439 C GLN A 96 -2.275 0.167 -17.927 1.00 0.00 C ATOM 1440 O GLN A 96 -2.617 -0.754 -18.674 1.00 0.00 O ATOM 1441 CB GLN A 96 -0.405 -1.232 -16.591 1.00 0.00 C ATOM 1442 CG GLN A 96 0.623 -1.300 -17.751 1.00 0.00 C ATOM 1443 CD GLN A 96 1.406 -2.626 -17.832 1.00 0.00 C ATOM 1444 OE1 GLN A 96 1.352 -3.513 -16.980 1.00 0.00 O ATOM 1445 NE2 GLN A 96 2.160 -2.830 -18.881 1.00 0.00 N ATOM 0 H GLN A 96 -2.707 -1.503 -15.615 1.00 0.00 H new ATOM 0 HA GLN A 96 -0.944 0.836 -16.446 1.00 0.00 H new ATOM 0 HB2 GLN A 96 0.154 -1.147 -15.659 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -0.931 -2.186 -16.561 1.00 0.00 H new ATOM 0 HG2 GLN A 96 0.099 -1.143 -18.694 1.00 0.00 H new ATOM 0 HG3 GLN A 96 1.332 -0.480 -17.640 1.00 0.00 H new ATOM 0 HE21 GLN A 96 2.228 -2.116 -19.607 1.00 0.00 H new ATOM 0 HE22 GLN A 96 2.680 -3.703 -18.973 1.00 0.00 H new ATOM 1454 N HIS A 97 -2.633 1.441 -18.182 1.00 0.00 N ATOM 1455 CA HIS A 97 -3.529 1.834 -19.308 1.00 0.00 C ATOM 1456 C HIS A 97 -2.680 2.291 -20.534 1.00 0.00 C ATOM 1457 O HIS A 97 -2.189 3.422 -20.558 1.00 0.00 O ATOM 1458 CB HIS A 97 -4.443 2.951 -18.734 1.00 0.00 C ATOM 1459 CG HIS A 97 -5.581 3.416 -19.638 1.00 0.00 C ATOM 1460 ND1 HIS A 97 -5.533 4.493 -20.501 1.00 0.00 N ATOM 1461 CD2 HIS A 97 -6.781 2.719 -19.812 1.00 0.00 C ATOM 1462 CE1 HIS A 97 -6.705 4.316 -21.186 1.00 0.00 C ATOM 1463 NE2 HIS A 97 -7.544 3.305 -20.809 1.00 0.00 N ATOM 0 H HIS A 97 -2.315 2.231 -17.620 1.00 0.00 H new ATOM 0 HA HIS A 97 -4.140 1.012 -19.680 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -4.872 2.596 -17.797 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -3.821 3.813 -18.493 1.00 0.00 H new ATOM 0 HD1 HIS A 97 -4.823 5.218 -20.600 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -7.072 1.845 -19.248 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -6.962 4.964 -22.010 1.00 0.00 H new ATOM 1472 N GLN A 98 -2.498 1.400 -21.520 1.00 0.00 N ATOM 1473 CA GLN A 98 -1.545 1.613 -22.654 1.00 0.00 C ATOM 1474 C GLN A 98 -2.239 2.086 -23.967 1.00 0.00 C ATOM 1475 O GLN A 98 -3.194 1.452 -24.415 1.00 0.00 O ATOM 1476 CB GLN A 98 -0.632 0.369 -22.836 1.00 0.00 C ATOM 1477 CG GLN A 98 -1.264 -1.020 -23.114 1.00 0.00 C ATOM 1478 CD GLN A 98 -0.318 -2.123 -23.613 1.00 0.00 C ATOM 1479 OE1 GLN A 98 -0.625 -2.842 -24.559 1.00 0.00 O ATOM 1480 NE2 GLN A 98 0.833 -2.337 -23.014 1.00 0.00 N ATOM 0 H GLN A 98 -2.997 0.512 -21.567 1.00 0.00 H new ATOM 0 HA GLN A 98 -0.898 2.450 -22.390 1.00 0.00 H new ATOM 0 HB2 GLN A 98 0.051 0.585 -23.657 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -0.027 0.276 -21.934 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -1.737 -1.368 -22.196 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -2.056 -0.892 -23.852 1.00 0.00 H new ATOM 0 HE21 GLN A 98 1.113 -1.754 -22.225 1.00 0.00 H new ATOM 0 HE22 GLN A 98 1.445 -3.086 -23.338 1.00 0.00 H new ATOM 1489 N GLU A 99 -1.773 3.203 -24.565 1.00 0.00 N ATOM 1490 CA GLU A 99 -2.509 3.917 -25.656 1.00 0.00 C ATOM 1491 C GLU A 99 -1.581 4.192 -26.885 1.00 0.00 C ATOM 1492 O GLU A 99 -0.469 4.710 -26.743 1.00 0.00 O ATOM 1493 CB GLU A 99 -3.042 5.261 -25.085 1.00 0.00 C ATOM 1494 CG GLU A 99 -4.161 5.148 -24.012 1.00 0.00 C ATOM 1495 CD GLU A 99 -4.109 6.251 -22.974 1.00 0.00 C ATOM 1496 OE1 GLU A 99 -4.358 7.432 -23.294 1.00 0.00 O ATOM 1497 OE2 GLU A 99 -3.756 5.967 -21.808 1.00 0.00 O ATOM 0 H GLU A 99 -0.886 3.640 -24.316 1.00 0.00 H new ATOM 0 HA GLU A 99 -3.333 3.292 -26.001 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -2.204 5.807 -24.652 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -3.419 5.861 -25.913 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -5.132 5.169 -24.506 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -4.079 4.183 -23.511 1.00 0.00 H new ATOM 1504 N TRP A 100 -2.033 3.864 -28.109 1.00 0.00 N ATOM 1505 CA TRP A 100 -1.213 4.023 -29.346 1.00 0.00 C ATOM 1506 C TRP A 100 -2.112 4.239 -30.602 1.00 0.00 C ATOM 1507 O TRP A 100 -2.923 3.378 -30.951 1.00 0.00 O ATOM 1508 CB TRP A 100 -0.199 2.852 -29.526 1.00 0.00 C ATOM 1509 CG TRP A 100 -0.761 1.461 -29.865 1.00 0.00 C ATOM 1510 CD1 TRP A 100 -0.883 0.937 -31.168 1.00 0.00 C ATOM 1511 CD2 TRP A 100 -1.346 0.528 -29.031 1.00 0.00 C ATOM 1512 NE1 TRP A 100 -1.526 -0.317 -31.170 1.00 0.00 N ATOM 1513 CE2 TRP A 100 -1.806 -0.545 -29.832 1.00 0.00 C ATOM 1514 CE3 TRP A 100 -1.588 0.534 -27.633 1.00 0.00 C ATOM 1515 CZ2 TRP A 100 -2.503 -1.619 -29.241 1.00 0.00 C ATOM 1516 CZ3 TRP A 100 -2.292 -0.529 -27.075 1.00 0.00 C ATOM 1517 CH2 TRP A 100 -2.750 -1.586 -27.865 1.00 0.00 C ATOM 0 H TRP A 100 -2.965 3.485 -28.279 1.00 0.00 H new ATOM 0 HA TRP A 100 -0.615 4.927 -29.230 1.00 0.00 H new ATOM 0 HB2 TRP A 100 0.499 3.132 -30.315 1.00 0.00 H new ATOM 0 HB3 TRP A 100 0.378 2.765 -28.606 1.00 0.00 H new ATOM 0 HD1 TRP A 100 -0.527 1.436 -32.057 1.00 0.00 H new ATOM 0 HE1 TRP A 100 -1.736 -0.916 -31.968 1.00 0.00 H new ATOM 0 HE3 TRP A 100 -1.234 1.346 -27.015 1.00 0.00 H new ATOM 0 HZ2 TRP A 100 -2.840 -2.452 -29.840 1.00 0.00 H new ATOM 0 HZ3 TRP A 100 -2.488 -0.537 -26.013 1.00 0.00 H new ATOM 0 HH2 TRP A 100 -3.304 -2.391 -27.405 1.00 0.00 H new ATOM 1528 N ASP A 101 -1.931 5.378 -31.298 1.00 0.00 N ATOM 1529 CA ASP A 101 -2.543 5.660 -32.638 1.00 0.00 C ATOM 1530 C ASP A 101 -4.057 5.262 -32.847 1.00 0.00 C ATOM 1531 O ASP A 101 -4.410 4.480 -33.735 1.00 0.00 O ATOM 1532 CB ASP A 101 -1.534 5.124 -33.698 1.00 0.00 C ATOM 1533 CG ASP A 101 -1.604 5.789 -35.069 1.00 0.00 C ATOM 1534 OD1 ASP A 101 -1.547 7.036 -35.137 1.00 0.00 O ATOM 1535 OD2 ASP A 101 -1.683 5.066 -36.084 1.00 0.00 O ATOM 0 H ASP A 101 -1.352 6.144 -30.954 1.00 0.00 H new ATOM 0 HA ASP A 101 -2.676 6.736 -32.749 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -0.524 5.245 -33.306 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -1.701 4.054 -33.824 1.00 0.00 H new ATOM 1540 N GLY A 102 -4.944 5.750 -31.956 1.00 0.00 N ATOM 1541 CA GLY A 102 -6.356 5.270 -31.894 1.00 0.00 C ATOM 1542 C GLY A 102 -6.682 4.099 -30.934 1.00 0.00 C ATOM 1543 O GLY A 102 -7.708 4.139 -30.252 1.00 0.00 O ATOM 0 H GLY A 102 -4.718 6.471 -31.271 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -6.985 6.116 -31.615 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -6.652 4.970 -32.899 1.00 0.00 H new ATOM 1547 N LYS A 103 -5.861 3.041 -30.925 1.00 0.00 N ATOM 1548 CA LYS A 103 -6.118 1.806 -30.134 1.00 0.00 C ATOM 1549 C LYS A 103 -5.513 1.856 -28.693 1.00 0.00 C ATOM 1550 O LYS A 103 -4.397 2.338 -28.477 1.00 0.00 O ATOM 1551 CB LYS A 103 -5.572 0.581 -30.924 1.00 0.00 C ATOM 1552 CG LYS A 103 -6.319 0.269 -32.245 1.00 0.00 C ATOM 1553 CD LYS A 103 -5.972 -1.102 -32.875 1.00 0.00 C ATOM 1554 CE LYS A 103 -7.207 -2.016 -32.971 1.00 0.00 C ATOM 1555 NZ LYS A 103 -6.848 -3.371 -33.475 1.00 0.00 N ATOM 0 H LYS A 103 -4.995 3.006 -31.463 1.00 0.00 H new ATOM 0 HA LYS A 103 -7.196 1.718 -29.995 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -4.520 0.753 -31.151 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -5.619 -0.298 -30.281 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -7.392 0.306 -32.057 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -6.094 1.053 -32.968 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -5.554 -0.949 -33.870 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -5.203 -1.592 -32.278 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -7.673 -2.104 -31.989 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -7.944 -1.564 -33.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -7.706 -3.955 -33.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -6.411 -3.287 -34.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -6.176 -3.819 -32.819 1.00 0.00 H new ATOM 1569 N GLU A 104 -6.249 1.304 -27.712 1.00 0.00 N ATOM 1570 CA GLU A 104 -5.757 1.138 -26.316 1.00 0.00 C ATOM 1571 C GLU A 104 -5.914 -0.323 -25.783 1.00 0.00 C ATOM 1572 O GLU A 104 -6.754 -1.098 -26.252 1.00 0.00 O ATOM 1573 CB GLU A 104 -6.423 2.181 -25.370 1.00 0.00 C ATOM 1574 CG GLU A 104 -7.945 2.024 -25.091 1.00 0.00 C ATOM 1575 CD GLU A 104 -8.418 2.770 -23.858 1.00 0.00 C ATOM 1576 OE1 GLU A 104 -8.391 4.017 -23.851 1.00 0.00 O ATOM 1577 OE2 GLU A 104 -8.770 2.115 -22.852 1.00 0.00 O ATOM 0 H GLU A 104 -7.198 0.959 -27.855 1.00 0.00 H new ATOM 0 HA GLU A 104 -4.684 1.330 -26.330 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -5.900 2.151 -24.414 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -6.258 3.172 -25.792 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -8.503 2.380 -25.957 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -8.177 0.965 -24.976 1.00 0.00 H new ATOM 1584 N SER A 105 -5.144 -0.674 -24.738 1.00 0.00 N ATOM 1585 CA SER A 105 -5.435 -1.861 -23.890 1.00 0.00 C ATOM 1586 C SER A 105 -5.285 -1.544 -22.368 1.00 0.00 C ATOM 1587 O SER A 105 -4.390 -0.813 -21.928 1.00 0.00 O ATOM 1588 CB SER A 105 -4.580 -3.065 -24.349 1.00 0.00 C ATOM 1589 OG SER A 105 -4.932 -4.247 -23.626 1.00 0.00 O ATOM 0 H SER A 105 -4.312 -0.156 -24.454 1.00 0.00 H new ATOM 0 HA SER A 105 -6.481 -2.136 -24.023 1.00 0.00 H new ATOM 0 HB2 SER A 105 -4.723 -3.231 -25.417 1.00 0.00 H new ATOM 0 HB3 SER A 105 -3.523 -2.844 -24.199 1.00 0.00 H new ATOM 0 HG SER A 105 -5.792 -4.111 -23.176 1.00 0.00 H new ATOM 1595 N THR A 106 -6.191 -2.119 -21.560 1.00 0.00 N ATOM 1596 CA THR A 106 -6.271 -1.863 -20.095 1.00 0.00 C ATOM 1597 C THR A 106 -5.728 -3.113 -19.345 1.00 0.00 C ATOM 1598 O THR A 106 -6.379 -4.168 -19.357 1.00 0.00 O ATOM 1599 CB THR A 106 -7.720 -1.492 -19.638 1.00 0.00 C ATOM 1600 OG1 THR A 106 -8.564 -2.640 -19.607 1.00 0.00 O ATOM 1601 CG2 THR A 106 -8.435 -0.431 -20.492 1.00 0.00 C ATOM 0 H THR A 106 -6.894 -2.777 -21.896 1.00 0.00 H new ATOM 0 HA THR A 106 -5.657 -0.997 -19.849 1.00 0.00 H new ATOM 0 HB THR A 106 -7.563 -1.068 -18.646 1.00 0.00 H new ATOM 0 HG1 THR A 106 -8.018 -3.444 -19.483 1.00 0.00 H new ATOM 0 HG21 THR A 106 -9.431 -0.249 -20.088 1.00 0.00 H new ATOM 0 HG22 THR A 106 -7.862 0.496 -20.475 1.00 0.00 H new ATOM 0 HG23 THR A 106 -8.520 -0.787 -21.519 1.00 0.00 H new ATOM 1609 N ILE A 107 -4.552 -2.985 -18.712 1.00 0.00 N ATOM 1610 CA ILE A 107 -3.831 -4.131 -18.087 1.00 0.00 C ATOM 1611 C ILE A 107 -4.055 -4.044 -16.536 1.00 0.00 C ATOM 1612 O ILE A 107 -3.330 -3.330 -15.833 1.00 0.00 O ATOM 1613 CB ILE A 107 -2.315 -4.112 -18.519 1.00 0.00 C ATOM 1614 CG1 ILE A 107 -1.962 -3.845 -20.014 1.00 0.00 C ATOM 1615 CG2 ILE A 107 -1.532 -5.344 -18.006 1.00 0.00 C ATOM 1616 CD1 ILE A 107 -2.522 -4.815 -21.060 1.00 0.00 C ATOM 0 H ILE A 107 -4.067 -2.093 -18.613 1.00 0.00 H new ATOM 0 HA ILE A 107 -4.217 -5.092 -18.426 1.00 0.00 H new ATOM 0 HB ILE A 107 -1.988 -3.203 -18.015 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -2.307 -2.843 -20.267 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -0.876 -3.841 -20.107 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -0.494 -5.278 -18.333 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -1.568 -5.370 -16.917 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -1.981 -6.253 -18.406 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -2.196 -4.507 -22.053 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -2.158 -5.822 -20.855 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -3.611 -4.808 -21.017 1.00 0.00 H new ATOM 1628 N THR A 108 -5.067 -4.755 -16.005 1.00 0.00 N ATOM 1629 CA THR A 108 -5.483 -4.632 -14.573 1.00 0.00 C ATOM 1630 C THR A 108 -4.839 -5.784 -13.736 1.00 0.00 C ATOM 1631 O THR A 108 -5.255 -6.943 -13.817 1.00 0.00 O ATOM 1632 CB THR A 108 -7.040 -4.580 -14.495 1.00 0.00 C ATOM 1633 OG1 THR A 108 -7.524 -3.442 -15.203 1.00 0.00 O ATOM 1634 CG2 THR A 108 -7.615 -4.450 -13.074 1.00 0.00 C ATOM 0 H THR A 108 -5.620 -5.426 -16.538 1.00 0.00 H new ATOM 0 HA THR A 108 -5.119 -3.703 -14.134 1.00 0.00 H new ATOM 0 HB THR A 108 -7.359 -5.533 -14.917 1.00 0.00 H new ATOM 0 HG1 THR A 108 -8.502 -3.416 -15.151 1.00 0.00 H new ATOM 0 HG21 THR A 108 -8.704 -4.422 -13.123 1.00 0.00 H new ATOM 0 HG22 THR A 108 -7.301 -5.305 -12.475 1.00 0.00 H new ATOM 0 HG23 THR A 108 -7.249 -3.531 -12.616 1.00 0.00 H new ATOM 1642 N ARG A 109 -3.810 -5.455 -12.939 1.00 0.00 N ATOM 1643 CA ARG A 109 -2.924 -6.463 -12.291 1.00 0.00 C ATOM 1644 C ARG A 109 -3.287 -6.621 -10.779 1.00 0.00 C ATOM 1645 O ARG A 109 -2.745 -5.900 -9.934 1.00 0.00 O ATOM 1646 CB ARG A 109 -1.443 -6.017 -12.493 1.00 0.00 C ATOM 1647 CG ARG A 109 -0.962 -5.699 -13.935 1.00 0.00 C ATOM 1648 CD ARG A 109 0.557 -5.466 -14.063 1.00 0.00 C ATOM 1649 NE ARG A 109 1.265 -6.752 -14.331 1.00 0.00 N ATOM 1650 CZ ARG A 109 1.908 -7.075 -15.454 1.00 0.00 C ATOM 1651 NH1 ARG A 109 2.102 -6.257 -16.461 1.00 0.00 N ATOM 1652 NH2 ARG A 109 2.375 -8.286 -15.559 1.00 0.00 N ATOM 0 H ARG A 109 -3.561 -4.490 -12.720 1.00 0.00 H new ATOM 0 HA ARG A 109 -3.063 -7.442 -12.749 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -1.277 -5.129 -11.883 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -0.801 -6.803 -12.094 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -1.247 -6.522 -14.590 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -1.485 -4.812 -14.292 1.00 0.00 H new ATOM 0 HD2 ARG A 109 0.755 -4.760 -14.870 1.00 0.00 H new ATOM 0 HD3 ARG A 109 0.940 -5.018 -13.146 1.00 0.00 H new ATOM 0 HE ARG A 109 1.256 -7.449 -13.586 1.00 0.00 H new ATOM 0 HH11 ARG A 109 1.750 -5.301 -16.416 1.00 0.00 H new ATOM 0 HH12 ARG A 109 2.604 -6.577 -17.289 1.00 0.00 H new ATOM 0 HH21 ARG A 109 2.243 -8.951 -14.797 1.00 0.00 H new ATOM 0 HH22 ARG A 109 2.872 -8.569 -16.403 1.00 0.00 H new ATOM 1666 N LYS A 110 -4.218 -7.532 -10.437 1.00 0.00 N ATOM 1667 CA LYS A 110 -4.826 -7.606 -9.072 1.00 0.00 C ATOM 1668 C LYS A 110 -4.312 -8.805 -8.210 1.00 0.00 C ATOM 1669 O LYS A 110 -4.170 -9.930 -8.702 1.00 0.00 O ATOM 1670 CB LYS A 110 -6.374 -7.529 -9.211 1.00 0.00 C ATOM 1671 CG LYS A 110 -7.131 -8.775 -9.737 1.00 0.00 C ATOM 1672 CD LYS A 110 -8.583 -8.440 -10.139 1.00 0.00 C ATOM 1673 CE LYS A 110 -9.426 -9.688 -10.455 1.00 0.00 C ATOM 1674 NZ LYS A 110 -10.701 -9.263 -11.090 1.00 0.00 N ATOM 0 H LYS A 110 -4.575 -8.236 -11.084 1.00 0.00 H new ATOM 0 HA LYS A 110 -4.492 -6.746 -8.492 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -6.783 -7.281 -8.232 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -6.607 -6.695 -9.874 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -6.602 -9.185 -10.597 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -7.136 -9.548 -8.968 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -9.058 -7.883 -9.331 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -8.570 -7.787 -11.012 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -8.877 -10.354 -11.121 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -9.628 -10.247 -9.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -11.184 -10.093 -11.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -11.312 -8.817 -10.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -10.500 -8.581 -11.849 1.00 0.00 H new ATOM 1688 N LEU A 111 -4.048 -8.573 -6.910 1.00 0.00 N ATOM 1689 CA LEU A 111 -3.420 -9.593 -6.020 1.00 0.00 C ATOM 1690 C LEU A 111 -4.459 -10.532 -5.332 1.00 0.00 C ATOM 1691 O LEU A 111 -5.385 -10.081 -4.652 1.00 0.00 O ATOM 1692 CB LEU A 111 -2.497 -8.877 -4.988 1.00 0.00 C ATOM 1693 CG LEU A 111 -1.101 -9.501 -4.719 1.00 0.00 C ATOM 1694 CD1 LEU A 111 -1.146 -10.807 -3.910 1.00 0.00 C ATOM 1695 CD2 LEU A 111 -0.270 -9.714 -5.997 1.00 0.00 C ATOM 0 H LEU A 111 -4.257 -7.690 -6.444 1.00 0.00 H new ATOM 0 HA LEU A 111 -2.815 -10.255 -6.640 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -2.347 -7.852 -5.326 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -3.031 -8.825 -4.039 1.00 0.00 H new ATOM 0 HG LEU A 111 -0.603 -8.749 -4.107 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -0.132 -11.180 -3.764 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -1.606 -10.619 -2.940 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -1.732 -11.550 -4.451 1.00 0.00 H new ATOM 0 HD21 LEU A 111 0.693 -10.153 -5.736 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -0.804 -10.385 -6.670 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -0.110 -8.756 -6.491 1.00 0.00 H new ATOM 1707 N LYS A 112 -4.293 -11.849 -5.532 1.00 0.00 N ATOM 1708 CA LYS A 112 -5.298 -12.873 -5.138 1.00 0.00 C ATOM 1709 C LYS A 112 -4.567 -14.215 -4.815 1.00 0.00 C ATOM 1710 O LYS A 112 -3.877 -14.742 -5.687 1.00 0.00 O ATOM 1711 CB LYS A 112 -6.258 -13.003 -6.354 1.00 0.00 C ATOM 1712 CG LYS A 112 -7.472 -13.938 -6.178 1.00 0.00 C ATOM 1713 CD LYS A 112 -8.426 -13.784 -7.385 1.00 0.00 C ATOM 1714 CE LYS A 112 -9.555 -14.822 -7.500 1.00 0.00 C ATOM 1715 NZ LYS A 112 -9.040 -16.175 -7.857 1.00 0.00 N ATOM 0 H LYS A 112 -3.461 -12.243 -5.971 1.00 0.00 H new ATOM 0 HA LYS A 112 -5.858 -12.602 -4.243 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -6.627 -12.009 -6.604 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -5.680 -13.353 -7.209 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -7.138 -14.972 -6.096 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -7.997 -13.698 -5.254 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -8.877 -12.792 -7.340 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -7.831 -13.823 -8.298 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -10.093 -14.878 -6.554 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -10.271 -14.496 -8.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -9.835 -16.842 -7.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -8.549 -16.129 -8.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -8.377 -16.499 -7.124 1.00 0.00 H new ATOM 1729 N ASP A 113 -4.698 -14.790 -3.598 1.00 0.00 N ATOM 1730 CA ASP A 113 -3.988 -16.067 -3.201 1.00 0.00 C ATOM 1731 C ASP A 113 -2.401 -16.033 -3.218 1.00 0.00 C ATOM 1732 O ASP A 113 -1.738 -17.044 -3.487 1.00 0.00 O ATOM 1733 CB ASP A 113 -4.627 -17.261 -3.989 1.00 0.00 C ATOM 1734 CG ASP A 113 -4.218 -18.673 -3.566 1.00 0.00 C ATOM 1735 OD1 ASP A 113 -4.412 -19.024 -2.386 1.00 0.00 O ATOM 1736 OD2 ASP A 113 -3.688 -19.433 -4.413 1.00 0.00 O ATOM 0 H ASP A 113 -5.286 -14.403 -2.860 1.00 0.00 H new ATOM 0 HA ASP A 113 -4.157 -16.208 -2.134 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -5.711 -17.182 -3.902 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -4.382 -17.140 -5.044 1.00 0.00 H new ATOM 1741 N GLY A 114 -1.763 -14.863 -3.004 1.00 0.00 N ATOM 1742 CA GLY A 114 -0.349 -14.653 -3.452 1.00 0.00 C ATOM 1743 C GLY A 114 -0.036 -14.843 -4.968 1.00 0.00 C ATOM 1744 O GLY A 114 1.052 -15.299 -5.321 1.00 0.00 O ATOM 0 H GLY A 114 -2.183 -14.060 -2.536 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -0.055 -13.641 -3.172 1.00 0.00 H new ATOM 0 HA3 GLY A 114 0.287 -15.337 -2.889 1.00 0.00 H new ATOM 1748 N LYS A 115 -1.001 -14.508 -5.839 1.00 0.00 N ATOM 1749 CA LYS A 115 -0.942 -14.730 -7.306 1.00 0.00 C ATOM 1750 C LYS A 115 -1.394 -13.388 -7.982 1.00 0.00 C ATOM 1751 O LYS A 115 -2.429 -12.802 -7.634 1.00 0.00 O ATOM 1752 CB LYS A 115 -1.849 -15.920 -7.767 1.00 0.00 C ATOM 1753 CG LYS A 115 -1.887 -17.246 -6.958 1.00 0.00 C ATOM 1754 CD LYS A 115 -0.551 -18.020 -6.888 1.00 0.00 C ATOM 1755 CE LYS A 115 -0.638 -19.474 -6.374 1.00 0.00 C ATOM 1756 NZ LYS A 115 -1.110 -19.502 -4.958 1.00 0.00 N ATOM 0 H LYS A 115 -1.870 -14.063 -5.542 1.00 0.00 H new ATOM 0 HA LYS A 115 0.072 -15.003 -7.600 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -2.871 -15.544 -7.816 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -1.553 -16.173 -8.785 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -2.211 -17.022 -5.942 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -2.642 -17.898 -7.397 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -0.109 -18.033 -7.884 1.00 0.00 H new ATOM 0 HD3 LYS A 115 0.133 -17.468 -6.243 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -1.320 -20.047 -7.002 1.00 0.00 H new ATOM 0 HE3 LYS A 115 0.340 -19.951 -6.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -0.492 -20.123 -4.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -1.083 -18.540 -4.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -2.085 -19.863 -4.924 1.00 0.00 H new ATOM 1770 N LEU A 116 -0.625 -12.899 -8.962 1.00 0.00 N ATOM 1771 CA LEU A 116 -0.949 -11.656 -9.712 1.00 0.00 C ATOM 1772 C LEU A 116 -1.890 -11.992 -10.914 1.00 0.00 C ATOM 1773 O LEU A 116 -1.475 -12.569 -11.926 1.00 0.00 O ATOM 1774 CB LEU A 116 0.412 -11.023 -10.107 1.00 0.00 C ATOM 1775 CG LEU A 116 0.389 -9.625 -10.776 1.00 0.00 C ATOM 1776 CD1 LEU A 116 0.154 -8.506 -9.744 1.00 0.00 C ATOM 1777 CD2 LEU A 116 1.725 -9.382 -11.495 1.00 0.00 C ATOM 0 H LEU A 116 0.241 -13.345 -9.265 1.00 0.00 H new ATOM 0 HA LEU A 116 -1.507 -10.928 -9.124 1.00 0.00 H new ATOM 0 HB2 LEU A 116 1.024 -10.954 -9.207 1.00 0.00 H new ATOM 0 HB3 LEU A 116 0.918 -11.711 -10.785 1.00 0.00 H new ATOM 0 HG LEU A 116 -0.435 -9.606 -11.489 1.00 0.00 H new ATOM 0 HD11 LEU A 116 0.144 -7.541 -10.250 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -0.803 -8.665 -9.247 1.00 0.00 H new ATOM 0 HD13 LEU A 116 0.954 -8.520 -9.004 1.00 0.00 H new ATOM 0 HD21 LEU A 116 1.711 -8.399 -11.966 1.00 0.00 H new ATOM 0 HD22 LEU A 116 2.540 -9.427 -10.773 1.00 0.00 H new ATOM 0 HD23 LEU A 116 1.873 -10.148 -12.257 1.00 0.00 H new ATOM 1789 N VAL A 117 -3.178 -11.647 -10.769 1.00 0.00 N ATOM 1790 CA VAL A 117 -4.235 -11.951 -11.777 1.00 0.00 C ATOM 1791 C VAL A 117 -4.328 -10.726 -12.738 1.00 0.00 C ATOM 1792 O VAL A 117 -4.818 -9.652 -12.372 1.00 0.00 O ATOM 1793 CB VAL A 117 -5.569 -12.349 -11.049 1.00 0.00 C ATOM 1794 CG1 VAL A 117 -6.782 -12.506 -11.996 1.00 0.00 C ATOM 1795 CG2 VAL A 117 -5.418 -13.665 -10.249 1.00 0.00 C ATOM 0 H VAL A 117 -3.529 -11.148 -9.952 1.00 0.00 H new ATOM 0 HA VAL A 117 -3.999 -12.818 -12.393 1.00 0.00 H new ATOM 0 HB VAL A 117 -5.764 -11.511 -10.379 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -7.663 -12.781 -11.416 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -6.966 -11.563 -12.510 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -6.572 -13.284 -12.730 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -6.363 -13.905 -9.761 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -5.145 -14.474 -10.927 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -4.640 -13.545 -9.495 1.00 0.00 H new ATOM 1805 N VAL A 118 -3.811 -10.898 -13.961 1.00 0.00 N ATOM 1806 CA VAL A 118 -3.645 -9.795 -14.945 1.00 0.00 C ATOM 1807 C VAL A 118 -4.824 -9.892 -15.960 1.00 0.00 C ATOM 1808 O VAL A 118 -4.791 -10.677 -16.914 1.00 0.00 O ATOM 1809 CB VAL A 118 -2.214 -9.855 -15.584 1.00 0.00 C ATOM 1810 CG1 VAL A 118 -1.997 -8.806 -16.698 1.00 0.00 C ATOM 1811 CG2 VAL A 118 -1.058 -9.704 -14.570 1.00 0.00 C ATOM 0 H VAL A 118 -3.492 -11.803 -14.307 1.00 0.00 H new ATOM 0 HA VAL A 118 -3.697 -8.810 -14.481 1.00 0.00 H new ATOM 0 HB VAL A 118 -2.185 -10.859 -16.007 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -0.987 -8.902 -17.097 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -2.720 -8.969 -17.497 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -2.131 -7.805 -16.287 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -0.104 -9.757 -15.095 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -1.141 -8.742 -14.064 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -1.112 -10.506 -13.834 1.00 0.00 H new ATOM 1821 N GLU A 119 -5.855 -9.061 -15.751 1.00 0.00 N ATOM 1822 CA GLU A 119 -6.995 -8.930 -16.696 1.00 0.00 C ATOM 1823 C GLU A 119 -6.629 -7.858 -17.767 1.00 0.00 C ATOM 1824 O GLU A 119 -6.767 -6.646 -17.567 1.00 0.00 O ATOM 1825 CB GLU A 119 -8.289 -8.623 -15.900 1.00 0.00 C ATOM 1826 CG GLU A 119 -8.779 -9.805 -15.019 1.00 0.00 C ATOM 1827 CD GLU A 119 -9.928 -9.531 -14.069 1.00 0.00 C ATOM 1828 OE1 GLU A 119 -10.042 -8.420 -13.504 1.00 0.00 O ATOM 1829 OE2 GLU A 119 -10.671 -10.484 -13.760 1.00 0.00 O ATOM 0 H GLU A 119 -5.931 -8.460 -14.930 1.00 0.00 H new ATOM 0 HA GLU A 119 -7.189 -9.858 -17.234 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -8.116 -7.755 -15.264 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -9.079 -8.352 -16.600 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -9.074 -10.619 -15.680 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -7.933 -10.162 -14.432 1.00 0.00 H new ATOM 1836 N CYS A 120 -6.088 -8.351 -18.889 1.00 0.00 N ATOM 1837 CA CYS A 120 -5.589 -7.518 -20.002 1.00 0.00 C ATOM 1838 C CYS A 120 -6.597 -7.568 -21.188 1.00 0.00 C ATOM 1839 O CYS A 120 -6.619 -8.508 -21.986 1.00 0.00 O ATOM 1840 CB CYS A 120 -4.139 -7.965 -20.307 1.00 0.00 C ATOM 1841 SG CYS A 120 -3.859 -9.744 -20.145 1.00 0.00 S ATOM 0 H CYS A 120 -5.981 -9.352 -19.056 1.00 0.00 H new ATOM 0 HA CYS A 120 -5.531 -6.458 -19.756 1.00 0.00 H new ATOM 0 HB2 CYS A 120 -3.883 -7.660 -21.322 1.00 0.00 H new ATOM 0 HB3 CYS A 120 -3.460 -7.440 -19.635 1.00 0.00 H new ATOM 0 HG CYS A 120 -4.671 -10.385 -20.933 1.00 0.00 H new ATOM 1846 N VAL A 121 -7.464 -6.546 -21.270 1.00 0.00 N ATOM 1847 CA VAL A 121 -8.507 -6.423 -22.334 1.00 0.00 C ATOM 1848 C VAL A 121 -8.135 -5.260 -23.314 1.00 0.00 C ATOM 1849 O VAL A 121 -7.516 -4.253 -22.947 1.00 0.00 O ATOM 1850 CB VAL A 121 -9.946 -6.358 -21.700 1.00 0.00 C ATOM 1851 CG1 VAL A 121 -10.189 -5.188 -20.719 1.00 0.00 C ATOM 1852 CG2 VAL A 121 -11.095 -6.347 -22.735 1.00 0.00 C ATOM 0 H VAL A 121 -7.472 -5.773 -20.605 1.00 0.00 H new ATOM 0 HA VAL A 121 -8.534 -7.317 -22.957 1.00 0.00 H new ATOM 0 HB VAL A 121 -9.964 -7.290 -21.135 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -11.210 -5.237 -20.341 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -9.490 -5.260 -19.886 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -10.039 -4.241 -21.238 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -12.052 -6.301 -22.216 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -10.992 -5.477 -23.384 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -11.052 -7.255 -23.336 1.00 0.00 H new ATOM 1862 N MET A 122 -8.484 -5.430 -24.595 1.00 0.00 N ATOM 1863 CA MET A 122 -8.323 -4.379 -25.637 1.00 0.00 C ATOM 1864 C MET A 122 -9.640 -3.578 -25.905 1.00 0.00 C ATOM 1865 O MET A 122 -9.669 -2.360 -25.717 1.00 0.00 O ATOM 1866 CB MET A 122 -7.644 -5.057 -26.855 1.00 0.00 C ATOM 1867 CG MET A 122 -7.293 -4.077 -27.982 1.00 0.00 C ATOM 1868 SD MET A 122 -5.844 -4.645 -28.877 1.00 0.00 S ATOM 1869 CE MET A 122 -5.623 -3.156 -29.854 1.00 0.00 C ATOM 0 H MET A 122 -8.887 -6.297 -24.950 1.00 0.00 H new ATOM 0 HA MET A 122 -7.668 -3.572 -25.309 1.00 0.00 H new ATOM 0 HB2 MET A 122 -6.734 -5.557 -26.522 1.00 0.00 H new ATOM 0 HB3 MET A 122 -8.306 -5.828 -27.248 1.00 0.00 H new ATOM 0 HG2 MET A 122 -8.137 -3.982 -28.666 1.00 0.00 H new ATOM 0 HG3 MET A 122 -7.107 -3.087 -27.566 1.00 0.00 H new ATOM 0 HE1 MET A 122 -4.915 -3.351 -30.660 1.00 0.00 H new ATOM 0 HE2 MET A 122 -6.581 -2.853 -30.278 1.00 0.00 H new ATOM 0 HE3 MET A 122 -5.239 -2.358 -29.219 1.00 0.00 H new ATOM 1879 N ASN A 123 -10.719 -4.251 -26.332 1.00 0.00 N ATOM 1880 CA ASN A 123 -12.075 -3.638 -26.456 1.00 0.00 C ATOM 1881 C ASN A 123 -13.130 -4.680 -25.961 1.00 0.00 C ATOM 1882 O ASN A 123 -13.352 -4.799 -24.755 1.00 0.00 O ATOM 1883 CB ASN A 123 -12.270 -2.960 -27.853 1.00 0.00 C ATOM 1884 CG ASN A 123 -12.098 -3.832 -29.111 1.00 0.00 C ATOM 1885 OD1 ASN A 123 -12.973 -4.616 -29.466 1.00 0.00 O ATOM 1886 ND2 ASN A 123 -10.980 -3.743 -29.787 1.00 0.00 N ATOM 0 H ASN A 123 -10.690 -5.234 -26.604 1.00 0.00 H new ATOM 0 HA ASN A 123 -12.220 -2.780 -25.799 1.00 0.00 H new ATOM 0 HB2 ASN A 123 -13.272 -2.531 -27.879 1.00 0.00 H new ATOM 0 HB3 ASN A 123 -11.566 -2.131 -27.923 1.00 0.00 H new ATOM 0 HD21 ASN A 123 -10.835 -4.326 -30.611 1.00 0.00 H new ATOM 0 HD22 ASN A 123 -10.255 -3.090 -29.489 1.00 0.00 H new ATOM 1893 N ASN A 124 -13.703 -5.495 -26.859 1.00 0.00 N ATOM 1894 CA ASN A 124 -14.273 -6.832 -26.500 1.00 0.00 C ATOM 1895 C ASN A 124 -13.221 -8.002 -26.385 1.00 0.00 C ATOM 1896 O ASN A 124 -13.566 -9.070 -25.878 1.00 0.00 O ATOM 1897 CB ASN A 124 -15.359 -7.196 -27.553 1.00 0.00 C ATOM 1898 CG ASN A 124 -16.607 -6.303 -27.580 1.00 0.00 C ATOM 1899 OD1 ASN A 124 -17.524 -6.443 -26.779 1.00 0.00 O ATOM 1900 ND2 ASN A 124 -16.690 -5.365 -28.495 1.00 0.00 N ATOM 0 H ASN A 124 -13.791 -5.263 -27.848 1.00 0.00 H new ATOM 0 HA ASN A 124 -14.689 -6.734 -25.497 1.00 0.00 H new ATOM 0 HB2 ASN A 124 -14.899 -7.171 -28.541 1.00 0.00 H new ATOM 0 HB3 ASN A 124 -15.677 -8.223 -27.375 1.00 0.00 H new ATOM 0 HD21 ASN A 124 -17.512 -4.762 -28.534 1.00 0.00 H new ATOM 0 HD22 ASN A 124 -15.933 -5.239 -29.167 1.00 0.00 H new ATOM 1907 N VAL A 125 -11.974 -7.827 -26.869 1.00 0.00 N ATOM 1908 CA VAL A 125 -10.986 -8.919 -27.080 1.00 0.00 C ATOM 1909 C VAL A 125 -10.016 -9.000 -25.847 1.00 0.00 C ATOM 1910 O VAL A 125 -9.508 -7.991 -25.343 1.00 0.00 O ATOM 1911 CB VAL A 125 -10.251 -8.656 -28.441 1.00 0.00 C ATOM 1912 CG1 VAL A 125 -9.296 -9.809 -28.798 1.00 0.00 C ATOM 1913 CG2 VAL A 125 -11.175 -8.477 -29.676 1.00 0.00 C ATOM 0 H VAL A 125 -11.614 -6.909 -27.130 1.00 0.00 H new ATOM 0 HA VAL A 125 -11.470 -9.894 -27.148 1.00 0.00 H new ATOM 0 HB VAL A 125 -9.732 -7.716 -28.254 1.00 0.00 H new ATOM 0 HG11 VAL A 125 -8.804 -9.593 -29.746 1.00 0.00 H new ATOM 0 HG12 VAL A 125 -8.545 -9.915 -28.015 1.00 0.00 H new ATOM 0 HG13 VAL A 125 -9.862 -10.736 -28.885 1.00 0.00 H new ATOM 0 HG21 VAL A 125 -10.567 -8.301 -30.563 1.00 0.00 H new ATOM 0 HG22 VAL A 125 -11.771 -9.378 -29.818 1.00 0.00 H new ATOM 0 HG23 VAL A 125 -11.837 -7.626 -29.515 1.00 0.00 H new ATOM 1923 N THR A 126 -9.782 -10.222 -25.355 1.00 0.00 N ATOM 1924 CA THR A 126 -9.417 -10.478 -23.929 1.00 0.00 C ATOM 1925 C THR A 126 -8.203 -11.438 -23.744 1.00 0.00 C ATOM 1926 O THR A 126 -8.047 -12.427 -24.463 1.00 0.00 O ATOM 1927 CB THR A 126 -10.646 -11.086 -23.173 1.00 0.00 C ATOM 1928 OG1 THR A 126 -11.159 -12.268 -23.808 1.00 0.00 O ATOM 1929 CG2 THR A 126 -11.802 -10.103 -22.930 1.00 0.00 C ATOM 0 H THR A 126 -9.836 -11.069 -25.921 1.00 0.00 H new ATOM 0 HA THR A 126 -9.126 -9.511 -23.519 1.00 0.00 H new ATOM 0 HB THR A 126 -10.234 -11.347 -22.198 1.00 0.00 H new ATOM 0 HG1 THR A 126 -11.274 -12.101 -24.767 1.00 0.00 H new ATOM 0 HG21 THR A 126 -12.608 -10.612 -22.401 1.00 0.00 H new ATOM 0 HG22 THR A 126 -11.447 -9.265 -22.330 1.00 0.00 H new ATOM 0 HG23 THR A 126 -12.172 -9.733 -23.886 1.00 0.00 H new ATOM 1937 N CYS A 127 -7.406 -11.205 -22.685 1.00 0.00 N ATOM 1938 CA CYS A 127 -6.518 -12.236 -22.090 1.00 0.00 C ATOM 1939 C CYS A 127 -6.586 -12.190 -20.529 1.00 0.00 C ATOM 1940 O CYS A 127 -6.270 -11.174 -19.901 1.00 0.00 O ATOM 1941 CB CYS A 127 -5.089 -12.087 -22.650 1.00 0.00 C ATOM 1942 SG CYS A 127 -4.495 -10.398 -22.603 1.00 0.00 S ATOM 0 H CYS A 127 -7.355 -10.301 -22.215 1.00 0.00 H new ATOM 0 HA CYS A 127 -6.864 -13.230 -22.374 1.00 0.00 H new ATOM 0 HB2 CYS A 127 -4.412 -12.721 -22.078 1.00 0.00 H new ATOM 0 HB3 CYS A 127 -5.068 -12.446 -23.679 1.00 0.00 H new ATOM 0 HG CYS A 127 -3.665 -10.257 -21.612 1.00 0.00 H new ATOM 1947 N THR A 128 -6.979 -13.309 -19.894 1.00 0.00 N ATOM 1948 CA THR A 128 -6.949 -13.460 -18.407 1.00 0.00 C ATOM 1949 C THR A 128 -5.639 -14.223 -18.030 1.00 0.00 C ATOM 1950 O THR A 128 -5.543 -15.442 -18.204 1.00 0.00 O ATOM 1951 CB THR A 128 -8.244 -14.177 -17.912 1.00 0.00 C ATOM 1952 OG1 THR A 128 -9.416 -13.492 -18.343 1.00 0.00 O ATOM 1953 CG2 THR A 128 -8.359 -14.272 -16.381 1.00 0.00 C ATOM 0 H THR A 128 -7.326 -14.135 -20.382 1.00 0.00 H new ATOM 0 HA THR A 128 -6.936 -12.491 -17.908 1.00 0.00 H new ATOM 0 HB THR A 128 -8.167 -15.177 -18.339 1.00 0.00 H new ATOM 0 HG1 THR A 128 -10.210 -13.966 -18.019 1.00 0.00 H new ATOM 0 HG21 THR A 128 -9.285 -14.783 -16.117 1.00 0.00 H new ATOM 0 HG22 THR A 128 -7.511 -14.831 -15.986 1.00 0.00 H new ATOM 0 HG23 THR A 128 -8.363 -13.269 -15.954 1.00 0.00 H new ATOM 1961 N ARG A 129 -4.615 -13.495 -17.555 1.00 0.00 N ATOM 1962 CA ARG A 129 -3.243 -14.048 -17.397 1.00 0.00 C ATOM 1963 C ARG A 129 -2.906 -14.234 -15.889 1.00 0.00 C ATOM 1964 O ARG A 129 -2.741 -13.262 -15.146 1.00 0.00 O ATOM 1965 CB ARG A 129 -2.227 -13.134 -18.131 1.00 0.00 C ATOM 1966 CG ARG A 129 -2.392 -13.017 -19.668 1.00 0.00 C ATOM 1967 CD ARG A 129 -1.292 -12.188 -20.357 1.00 0.00 C ATOM 1968 NE ARG A 129 -0.041 -12.989 -20.440 1.00 0.00 N ATOM 1969 CZ ARG A 129 1.019 -12.687 -21.182 1.00 0.00 C ATOM 1970 NH1 ARG A 129 1.216 -11.502 -21.702 1.00 0.00 N ATOM 1971 NH2 ARG A 129 1.906 -13.614 -21.396 1.00 0.00 N ATOM 0 H ARG A 129 -4.703 -12.519 -17.271 1.00 0.00 H new ATOM 0 HA ARG A 129 -3.183 -15.036 -17.854 1.00 0.00 H new ATOM 0 HB2 ARG A 129 -2.295 -12.134 -17.703 1.00 0.00 H new ATOM 0 HB3 ARG A 129 -1.223 -13.502 -17.922 1.00 0.00 H new ATOM 0 HG2 ARG A 129 -2.401 -14.018 -20.099 1.00 0.00 H new ATOM 0 HG3 ARG A 129 -3.361 -12.567 -19.886 1.00 0.00 H new ATOM 0 HD2 ARG A 129 -1.615 -11.895 -21.356 1.00 0.00 H new ATOM 0 HD3 ARG A 129 -1.111 -11.270 -19.799 1.00 0.00 H new ATOM 0 HE ARG A 129 0.007 -13.841 -19.881 1.00 0.00 H new ATOM 0 HH11 ARG A 129 0.538 -10.757 -21.545 1.00 0.00 H new ATOM 0 HH12 ARG A 129 2.048 -11.324 -22.264 1.00 0.00 H new ATOM 0 HH21 ARG A 129 1.778 -14.544 -20.998 1.00 0.00 H new ATOM 0 HH22 ARG A 129 2.730 -13.411 -21.962 1.00 0.00 H new ATOM 1985 N ILE A 130 -2.809 -15.491 -15.432 1.00 0.00 N ATOM 1986 CA ILE A 130 -2.562 -15.820 -13.997 1.00 0.00 C ATOM 1987 C ILE A 130 -1.021 -16.015 -13.801 1.00 0.00 C ATOM 1988 O ILE A 130 -0.391 -16.837 -14.479 1.00 0.00 O ATOM 1989 CB ILE A 130 -3.403 -17.062 -13.525 1.00 0.00 C ATOM 1990 CG1 ILE A 130 -4.909 -17.096 -13.940 1.00 0.00 C ATOM 1991 CG2 ILE A 130 -3.281 -17.320 -12.000 1.00 0.00 C ATOM 1992 CD1 ILE A 130 -5.800 -15.945 -13.447 1.00 0.00 C ATOM 0 H ILE A 130 -2.897 -16.311 -16.032 1.00 0.00 H new ATOM 0 HA ILE A 130 -2.898 -14.999 -13.363 1.00 0.00 H new ATOM 0 HB ILE A 130 -2.933 -17.870 -14.085 1.00 0.00 H new ATOM 0 HG12 ILE A 130 -4.959 -17.119 -15.029 1.00 0.00 H new ATOM 0 HG13 ILE A 130 -5.337 -18.032 -13.581 1.00 0.00 H new ATOM 0 HG21 ILE A 130 -3.881 -18.188 -11.729 1.00 0.00 H new ATOM 0 HG22 ILE A 130 -2.238 -17.506 -11.745 1.00 0.00 H new ATOM 0 HG23 ILE A 130 -3.638 -16.447 -11.454 1.00 0.00 H new ATOM 0 HD11 ILE A 130 -6.818 -16.093 -13.807 1.00 0.00 H new ATOM 0 HD12 ILE A 130 -5.799 -15.925 -12.357 1.00 0.00 H new ATOM 0 HD13 ILE A 130 -5.415 -14.999 -13.827 1.00 0.00 H new ATOM 2004 N TYR A 131 -0.429 -15.262 -12.860 1.00 0.00 N ATOM 2005 CA TYR A 131 1.033 -15.307 -12.586 1.00 0.00 C ATOM 2006 C TYR A 131 1.296 -15.683 -11.088 1.00 0.00 C ATOM 2007 O TYR A 131 0.884 -14.947 -10.186 1.00 0.00 O ATOM 2008 CB TYR A 131 1.639 -13.916 -12.919 1.00 0.00 C ATOM 2009 CG TYR A 131 1.809 -13.508 -14.395 1.00 0.00 C ATOM 2010 CD1 TYR A 131 0.801 -12.824 -15.078 1.00 0.00 C ATOM 2011 CD2 TYR A 131 3.048 -13.693 -15.016 1.00 0.00 C ATOM 2012 CE1 TYR A 131 1.037 -12.310 -16.355 1.00 0.00 C ATOM 2013 CE2 TYR A 131 3.287 -13.177 -16.286 1.00 0.00 C ATOM 2014 CZ TYR A 131 2.287 -12.480 -16.951 1.00 0.00 C ATOM 2015 OH TYR A 131 2.534 -11.956 -18.191 1.00 0.00 O ATOM 0 H TYR A 131 -0.938 -14.607 -12.267 1.00 0.00 H new ATOM 0 HA TYR A 131 1.505 -16.069 -13.206 1.00 0.00 H new ATOM 0 HB2 TYR A 131 1.015 -13.162 -12.439 1.00 0.00 H new ATOM 0 HB3 TYR A 131 2.621 -13.864 -12.448 1.00 0.00 H new ATOM 0 HD1 TYR A 131 -0.166 -12.692 -14.616 1.00 0.00 H new ATOM 0 HD2 TYR A 131 3.826 -14.241 -14.506 1.00 0.00 H new ATOM 0 HE1 TYR A 131 0.254 -11.782 -16.880 1.00 0.00 H new ATOM 0 HE2 TYR A 131 4.250 -13.319 -16.754 1.00 0.00 H new ATOM 0 HH TYR A 131 3.454 -12.165 -18.457 1.00 0.00 H new ATOM 2025 N GLU A 132 2.009 -16.790 -10.803 1.00 0.00 N ATOM 2026 CA GLU A 132 2.402 -17.159 -9.405 1.00 0.00 C ATOM 2027 C GLU A 132 3.793 -16.580 -8.975 1.00 0.00 C ATOM 2028 O GLU A 132 4.693 -16.394 -9.800 1.00 0.00 O ATOM 2029 CB GLU A 132 2.266 -18.696 -9.194 1.00 0.00 C ATOM 2030 CG GLU A 132 3.374 -19.619 -9.764 1.00 0.00 C ATOM 2031 CD GLU A 132 3.238 -21.119 -9.523 1.00 0.00 C ATOM 2032 OE1 GLU A 132 2.328 -21.565 -8.791 1.00 0.00 O ATOM 2033 OE2 GLU A 132 4.058 -21.867 -10.101 1.00 0.00 O ATOM 0 H GLU A 132 2.330 -17.450 -11.511 1.00 0.00 H new ATOM 0 HA GLU A 132 1.701 -16.676 -8.724 1.00 0.00 H new ATOM 0 HB2 GLU A 132 2.200 -18.879 -8.122 1.00 0.00 H new ATOM 0 HB3 GLU A 132 1.317 -19.008 -9.630 1.00 0.00 H new ATOM 0 HG2 GLU A 132 3.427 -19.455 -10.840 1.00 0.00 H new ATOM 0 HG3 GLU A 132 4.328 -19.297 -9.346 1.00 0.00 H new ATOM 2040 N LYS A 133 3.984 -16.309 -7.670 1.00 0.00 N ATOM 2041 CA LYS A 133 5.276 -15.782 -7.148 1.00 0.00 C ATOM 2042 C LYS A 133 6.380 -16.879 -6.989 1.00 0.00 C ATOM 2043 O LYS A 133 6.188 -17.894 -6.314 1.00 0.00 O ATOM 2044 CB LYS A 133 5.012 -15.033 -5.814 1.00 0.00 C ATOM 2045 CG LYS A 133 6.205 -14.180 -5.318 1.00 0.00 C ATOM 2046 CD LYS A 133 5.775 -13.072 -4.337 1.00 0.00 C ATOM 2047 CE LYS A 133 6.969 -12.448 -3.598 1.00 0.00 C ATOM 2048 NZ LYS A 133 6.506 -11.279 -2.812 1.00 0.00 N ATOM 0 H LYS A 133 3.269 -16.443 -6.955 1.00 0.00 H new ATOM 0 HA LYS A 133 5.678 -15.089 -7.887 1.00 0.00 H new ATOM 0 HB2 LYS A 133 4.144 -14.385 -5.940 1.00 0.00 H new ATOM 0 HB3 LYS A 133 4.757 -15.762 -5.045 1.00 0.00 H new ATOM 0 HG2 LYS A 133 6.933 -14.829 -4.831 1.00 0.00 H new ATOM 0 HG3 LYS A 133 6.704 -13.728 -6.175 1.00 0.00 H new ATOM 0 HD2 LYS A 133 5.242 -12.294 -4.883 1.00 0.00 H new ATOM 0 HD3 LYS A 133 5.077 -13.486 -3.609 1.00 0.00 H new ATOM 0 HE2 LYS A 133 7.428 -13.185 -2.939 1.00 0.00 H new ATOM 0 HE3 LYS A 133 7.732 -12.140 -4.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 133 7.174 -11.096 -2.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 133 6.455 -10.444 -3.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 133 5.564 -11.476 -2.418 1.00 0.00 H new ATOM 2062 N VAL A 134 7.570 -16.613 -7.555 1.00 0.00 N ATOM 2063 CA VAL A 134 8.811 -17.385 -7.251 1.00 0.00 C ATOM 2064 C VAL A 134 9.476 -16.735 -5.986 1.00 0.00 C ATOM 2065 O VAL A 134 10.072 -15.653 -6.075 1.00 0.00 O ATOM 2066 CB VAL A 134 9.782 -17.427 -8.487 1.00 0.00 C ATOM 2067 CG1 VAL A 134 11.026 -18.310 -8.234 1.00 0.00 C ATOM 2068 CG2 VAL A 134 9.146 -17.907 -9.813 1.00 0.00 C ATOM 0 H VAL A 134 7.710 -15.864 -8.233 1.00 0.00 H new ATOM 0 HA VAL A 134 8.569 -18.427 -7.039 1.00 0.00 H new ATOM 0 HB VAL A 134 10.057 -16.378 -8.601 1.00 0.00 H new ATOM 0 HG11 VAL A 134 11.663 -18.304 -9.119 1.00 0.00 H new ATOM 0 HG12 VAL A 134 11.583 -17.918 -7.383 1.00 0.00 H new ATOM 0 HG13 VAL A 134 10.710 -19.331 -8.021 1.00 0.00 H new ATOM 0 HG21 VAL A 134 9.899 -17.899 -10.601 1.00 0.00 H new ATOM 0 HG22 VAL A 134 8.763 -18.920 -9.687 1.00 0.00 H new ATOM 0 HG23 VAL A 134 8.328 -17.241 -10.086 1.00 0.00 H new ATOM 2078 N GLU A 135 9.352 -17.391 -4.821 1.00 0.00 N ATOM 2079 CA GLU A 135 9.951 -16.926 -3.542 1.00 0.00 C ATOM 2080 C GLU A 135 10.439 -18.133 -2.699 1.00 0.00 C ATOM 2081 O GLU A 135 9.690 -19.123 -2.512 1.00 0.00 O ATOM 2082 CB GLU A 135 9.003 -15.957 -2.779 1.00 0.00 C ATOM 2083 CG GLU A 135 7.623 -16.487 -2.299 1.00 0.00 C ATOM 2084 CD GLU A 135 6.682 -15.429 -1.710 1.00 0.00 C ATOM 2085 OE1 GLU A 135 7.134 -14.539 -0.955 1.00 0.00 O ATOM 2086 OE2 GLU A 135 5.479 -15.456 -2.045 1.00 0.00 O ATOM 2087 OXT GLU A 135 11.597 -18.089 -2.223 1.00 0.00 O ATOM 0 H GLU A 135 8.832 -18.264 -4.731 1.00 0.00 H new ATOM 0 HA GLU A 135 10.837 -16.331 -3.763 1.00 0.00 H new ATOM 0 HB2 GLU A 135 9.539 -15.591 -1.903 1.00 0.00 H new ATOM 0 HB3 GLU A 135 8.821 -15.097 -3.424 1.00 0.00 H new ATOM 0 HG2 GLU A 135 7.123 -16.965 -3.141 1.00 0.00 H new ATOM 0 HG3 GLU A 135 7.790 -17.259 -1.548 1.00 0.00 H new