USER MOD reduce.3.24.130724 H: found=0, std=0, add=799, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 796 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 67 THR OG1 : rot 118:sc= 1.02 USER MOD Set 1.2: A 72 TYR OH : rot 120:sc= -0.667 USER MOD Set 2.1: A 35 SER OG : rot 42:sc= 0.972 USER MOD Set 2.2: A 55 ASN : amide:sc= -0.684 X(o=0.29,f=0.5) USER MOD Set 3.1: A 19 THR OG1 : rot 180:sc= 0.635 USER MOD Set 3.2: A 62 THR OG1 : rot -105:sc= 1.28 USER MOD Set 4.1: A 12 ASN : amide:sc= 0.0155 K(o=-0.84,f=-1.4) USER MOD Set 4.2: A 14 THR OG1 : rot 180:sc= 0.332 USER MOD Set 4.3: A 17 THR OG1 : rot 72:sc= -1.18 USER MOD Single : A 0 SER N :NH3+ -132:sc= 0.323 (180deg=0.012) USER MOD Single : A 0 SER OG : rot 180:sc= 0.184 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 HIS : no HE2:sc= -1.81 K(o=-1.8,f=-2.6!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot -67:sc= 0.875 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 70:sc= 0.314 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -3.97! C(o=-4!,f=-6.3!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -2.55 K(o=-2.6,f=-3.1!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -1.04! C(o=-1!,f=-2.5!) USER MOD Single : A 64 SER OG : rot 180:sc= -0.653 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= -9.31! C(o=-9.3!,f=-14!) USER MOD Single : A 86 SER OG : rot -83:sc= -0.411 USER MOD Single : A 89 SER OG : rot -170:sc= 0.686 USER MOD Single : A 92 SER OG : rot 67:sc= -1.88 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 CYS SG : rot -99:sc= -1.83 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 0 -25.145 -5.021 -4.263 1.00 2.05 N ATOM 2 CA SER A 0 -24.216 -3.864 -4.359 1.00 1.55 C ATOM 3 C SER A 0 -22.766 -4.332 -4.483 1.00 1.39 C ATOM 4 O SER A 0 -22.259 -5.036 -3.610 1.00 1.50 O ATOM 5 CB SER A 0 -24.386 -3.003 -3.106 1.00 2.08 C ATOM 6 OG SER A 0 -24.769 -3.792 -1.993 1.00 2.74 O ATOM 0 H1 SER A 0 -25.935 -4.887 -4.926 1.00 2.05 H new ATOM 0 H2 SER A 0 -24.636 -5.896 -4.503 1.00 2.05 H new ATOM 0 H3 SER A 0 -25.514 -5.090 -3.293 1.00 2.05 H new ATOM 0 HA SER A 0 -24.452 -3.284 -5.251 1.00 1.55 H new ATOM 0 HB2 SER A 0 -23.451 -2.487 -2.886 1.00 2.08 H new ATOM 0 HB3 SER A 0 -25.138 -2.235 -3.288 1.00 2.08 H new ATOM 0 HG SER A 0 -24.869 -3.219 -1.205 1.00 2.74 H new ATOM 12 N PRO A 1 -22.072 -3.949 -5.571 1.00 1.23 N ATOM 13 CA PRO A 1 -20.681 -4.340 -5.791 1.00 1.19 C ATOM 14 C PRO A 1 -19.703 -3.468 -5.008 1.00 1.24 C ATOM 15 O PRO A 1 -20.102 -2.718 -4.116 1.00 2.06 O ATOM 16 CB PRO A 1 -20.502 -4.132 -7.292 1.00 1.18 C ATOM 17 CG PRO A 1 -21.423 -3.010 -7.628 1.00 1.26 C ATOM 18 CD PRO A 1 -22.587 -3.109 -6.672 1.00 1.24 C ATOM 0 HA PRO A 1 -20.479 -5.358 -5.457 1.00 1.19 H new ATOM 0 HB2 PRO A 1 -19.469 -3.884 -7.538 1.00 1.18 H new ATOM 0 HB3 PRO A 1 -20.755 -5.033 -7.850 1.00 1.18 H new ATOM 0 HG2 PRO A 1 -20.918 -2.050 -7.526 1.00 1.26 H new ATOM 0 HG3 PRO A 1 -21.762 -3.083 -8.661 1.00 1.26 H new ATOM 0 HD2 PRO A 1 -22.895 -2.126 -6.314 1.00 1.24 H new ATOM 0 HD3 PRO A 1 -23.457 -3.562 -7.147 1.00 1.24 H new ATOM 26 N ILE A 2 -18.422 -3.572 -5.348 1.00 0.68 N ATOM 27 CA ILE A 2 -17.389 -2.793 -4.678 1.00 0.61 C ATOM 28 C ILE A 2 -16.140 -2.667 -5.548 1.00 0.57 C ATOM 29 O ILE A 2 -15.788 -3.587 -6.286 1.00 0.63 O ATOM 30 CB ILE A 2 -17.001 -3.423 -3.322 1.00 0.62 C ATOM 31 CG1 ILE A 2 -16.106 -2.455 -2.525 1.00 0.60 C ATOM 32 CG2 ILE A 2 -16.317 -4.770 -3.544 1.00 0.66 C ATOM 33 CD1 ILE A 2 -15.235 -3.114 -1.465 1.00 0.56 C ATOM 0 H ILE A 2 -18.076 -4.188 -6.083 1.00 0.68 H new ATOM 0 HA ILE A 2 -17.804 -1.801 -4.503 1.00 0.61 H new ATOM 0 HB ILE A 2 -17.902 -3.602 -2.736 1.00 0.62 H new ATOM 0 HG12 ILE A 2 -15.462 -1.921 -3.223 1.00 0.60 H new ATOM 0 HG13 ILE A 2 -16.740 -1.711 -2.043 1.00 0.60 H new ATOM 0 HG21 ILE A 2 -16.048 -5.205 -2.581 1.00 0.66 H new ATOM 0 HG22 ILE A 2 -16.997 -5.442 -4.068 1.00 0.66 H new ATOM 0 HG23 ILE A 2 -15.417 -4.627 -4.142 1.00 0.66 H new ATOM 0 HD11 ILE A 2 -14.641 -2.354 -0.958 1.00 0.56 H new ATOM 0 HD12 ILE A 2 -15.868 -3.624 -0.739 1.00 0.56 H new ATOM 0 HD13 ILE A 2 -14.570 -3.837 -1.938 1.00 0.56 H new ATOM 45 N ASP A 3 -15.473 -1.522 -5.447 1.00 0.55 N ATOM 46 CA ASP A 3 -14.258 -1.266 -6.213 1.00 0.54 C ATOM 47 C ASP A 3 -13.142 -0.788 -5.283 1.00 0.47 C ATOM 48 O ASP A 3 -13.354 0.097 -4.455 1.00 0.49 O ATOM 49 CB ASP A 3 -14.525 -0.219 -7.297 1.00 0.61 C ATOM 50 CG ASP A 3 -15.309 -0.785 -8.465 1.00 1.15 C ATOM 51 OD1 ASP A 3 -14.677 -1.325 -9.397 1.00 2.00 O ATOM 52 OD2 ASP A 3 -16.554 -0.688 -8.449 1.00 1.64 O ATOM 0 H ASP A 3 -15.755 -0.753 -4.839 1.00 0.55 H new ATOM 0 HA ASP A 3 -13.945 -2.193 -6.693 1.00 0.54 H new ATOM 0 HB2 ASP A 3 -15.075 0.616 -6.864 1.00 0.61 H new ATOM 0 HB3 ASP A 3 -13.576 0.177 -7.658 1.00 0.61 H new ATOM 57 N PRO A 4 -11.935 -1.370 -5.400 1.00 0.44 N ATOM 58 CA PRO A 4 -10.798 -0.995 -4.555 1.00 0.41 C ATOM 59 C PRO A 4 -10.234 0.378 -4.914 1.00 0.38 C ATOM 60 O PRO A 4 -10.435 0.872 -6.024 1.00 0.43 O ATOM 61 CB PRO A 4 -9.779 -2.104 -4.822 1.00 0.45 C ATOM 62 CG PRO A 4 -10.096 -2.582 -6.198 1.00 0.50 C ATOM 63 CD PRO A 4 -11.587 -2.439 -6.355 1.00 0.50 C ATOM 0 HA PRO A 4 -11.075 -0.908 -3.504 1.00 0.41 H new ATOM 0 HB2 PRO A 4 -8.758 -1.728 -4.758 1.00 0.45 H new ATOM 0 HB3 PRO A 4 -9.868 -2.909 -4.092 1.00 0.45 H new ATOM 0 HG2 PRO A 4 -9.567 -1.993 -6.947 1.00 0.50 H new ATOM 0 HG3 PRO A 4 -9.787 -3.619 -6.331 1.00 0.50 H new ATOM 0 HD2 PRO A 4 -11.859 -2.169 -7.376 1.00 0.50 H new ATOM 0 HD3 PRO A 4 -12.106 -3.369 -6.122 1.00 0.50 H new ATOM 71 N PRO A 5 -9.523 1.018 -3.967 1.00 0.37 N ATOM 72 CA PRO A 5 -8.933 2.345 -4.173 1.00 0.39 C ATOM 73 C PRO A 5 -8.086 2.424 -5.438 1.00 0.38 C ATOM 74 O PRO A 5 -7.887 1.425 -6.129 1.00 0.47 O ATOM 75 CB PRO A 5 -8.060 2.560 -2.925 1.00 0.46 C ATOM 76 CG PRO A 5 -7.985 1.231 -2.250 1.00 0.71 C ATOM 77 CD PRO A 5 -9.243 0.504 -2.620 1.00 0.43 C ATOM 0 HA PRO A 5 -9.702 3.106 -4.303 1.00 0.39 H new ATOM 0 HB2 PRO A 5 -7.067 2.917 -3.199 1.00 0.46 H new ATOM 0 HB3 PRO A 5 -8.497 3.310 -2.266 1.00 0.46 H new ATOM 0 HG2 PRO A 5 -7.105 0.677 -2.577 1.00 0.71 H new ATOM 0 HG3 PRO A 5 -7.906 1.347 -1.169 1.00 0.71 H new ATOM 0 HD2 PRO A 5 -9.102 -0.577 -2.619 1.00 0.43 H new ATOM 0 HD3 PRO A 5 -10.055 0.720 -1.926 1.00 0.43 H new ATOM 85 N GLY A 6 -7.595 3.623 -5.737 1.00 0.37 N ATOM 86 CA GLY A 6 -6.777 3.823 -6.920 1.00 0.39 C ATOM 87 C GLY A 6 -5.406 3.192 -6.795 1.00 0.42 C ATOM 88 O GLY A 6 -5.001 2.774 -5.709 1.00 0.66 O ATOM 0 H GLY A 6 -7.750 4.463 -5.179 1.00 0.37 H new ATOM 0 HA2 GLY A 6 -7.289 3.403 -7.786 1.00 0.39 H new ATOM 0 HA3 GLY A 6 -6.665 4.892 -7.103 1.00 0.39 H new ATOM 92 N LYS A 7 -4.686 3.125 -7.910 1.00 0.41 N ATOM 93 CA LYS A 7 -3.350 2.546 -7.927 1.00 0.44 C ATOM 94 C LYS A 7 -2.424 3.310 -6.979 1.00 0.37 C ATOM 95 O LYS A 7 -2.240 4.517 -7.126 1.00 0.42 O ATOM 96 CB LYS A 7 -2.778 2.577 -9.345 1.00 0.54 C ATOM 97 CG LYS A 7 -1.526 1.732 -9.512 1.00 0.64 C ATOM 98 CD LYS A 7 -0.494 2.430 -10.380 1.00 1.01 C ATOM 99 CE LYS A 7 0.901 2.313 -9.788 1.00 0.95 C ATOM 100 NZ LYS A 7 1.804 3.394 -10.272 1.00 1.52 N ATOM 0 H LYS A 7 -5.008 3.466 -8.816 1.00 0.41 H new ATOM 0 HA LYS A 7 -3.420 1.511 -7.593 1.00 0.44 H new ATOM 0 HB2 LYS A 7 -3.539 2.227 -10.043 1.00 0.54 H new ATOM 0 HB3 LYS A 7 -2.549 3.608 -9.614 1.00 0.54 H new ATOM 0 HG2 LYS A 7 -1.096 1.520 -8.533 1.00 0.64 H new ATOM 0 HG3 LYS A 7 -1.790 0.773 -9.959 1.00 0.64 H new ATOM 0 HD2 LYS A 7 -0.504 1.996 -11.380 1.00 1.01 H new ATOM 0 HD3 LYS A 7 -0.758 3.482 -10.487 1.00 1.01 H new ATOM 0 HE2 LYS A 7 0.838 2.353 -8.701 1.00 0.95 H new ATOM 0 HE3 LYS A 7 1.325 1.343 -10.047 1.00 0.95 H new ATOM 0 HZ1 LYS A 7 2.745 3.278 -9.845 1.00 1.52 H new ATOM 0 HZ2 LYS A 7 1.885 3.341 -11.307 1.00 1.52 H new ATOM 0 HZ3 LYS A 7 1.413 4.319 -10.002 1.00 1.52 H new ATOM 114 N PRO A 8 -1.826 2.623 -5.986 1.00 0.34 N ATOM 115 CA PRO A 8 -0.921 3.263 -5.017 1.00 0.32 C ATOM 116 C PRO A 8 0.317 3.858 -5.681 1.00 0.33 C ATOM 117 O PRO A 8 0.799 3.343 -6.690 1.00 0.44 O ATOM 118 CB PRO A 8 -0.537 2.115 -4.076 1.00 0.39 C ATOM 119 CG PRO A 8 -1.623 1.112 -4.260 1.00 0.44 C ATOM 120 CD PRO A 8 -1.974 1.183 -5.713 1.00 0.41 C ATOM 0 HA PRO A 8 -1.395 4.103 -4.509 1.00 0.32 H new ATOM 0 HB2 PRO A 8 0.437 1.699 -4.333 1.00 0.39 H new ATOM 0 HB3 PRO A 8 -0.477 2.452 -3.041 1.00 0.39 H new ATOM 0 HG2 PRO A 8 -1.288 0.112 -3.983 1.00 0.44 H new ATOM 0 HG3 PRO A 8 -2.485 1.344 -3.634 1.00 0.44 H new ATOM 0 HD2 PRO A 8 -1.305 0.579 -6.326 1.00 0.41 H new ATOM 0 HD3 PRO A 8 -2.987 0.832 -5.907 1.00 0.41 H new ATOM 128 N VAL A 9 0.823 4.952 -5.114 1.00 0.34 N ATOM 129 CA VAL A 9 2.001 5.617 -5.663 1.00 0.38 C ATOM 130 C VAL A 9 2.804 6.347 -4.580 1.00 0.34 C ATOM 131 O VAL A 9 2.350 7.354 -4.035 1.00 0.35 O ATOM 132 CB VAL A 9 1.601 6.633 -6.748 1.00 0.43 C ATOM 133 CG1 VAL A 9 0.663 7.683 -6.177 1.00 1.09 C ATOM 134 CG2 VAL A 9 2.836 7.282 -7.357 1.00 0.53 C ATOM 0 H VAL A 9 0.438 5.394 -4.279 1.00 0.34 H new ATOM 0 HA VAL A 9 2.625 4.835 -6.097 1.00 0.38 H new ATOM 0 HB VAL A 9 1.073 6.101 -7.540 1.00 0.43 H new ATOM 0 HG11 VAL A 9 0.391 8.392 -6.959 1.00 1.09 H new ATOM 0 HG12 VAL A 9 -0.237 7.199 -5.797 1.00 1.09 H new ATOM 0 HG13 VAL A 9 1.161 8.212 -5.364 1.00 1.09 H new ATOM 0 HG21 VAL A 9 2.532 7.997 -8.122 1.00 0.53 H new ATOM 0 HG22 VAL A 9 3.396 7.800 -6.578 1.00 0.53 H new ATOM 0 HG23 VAL A 9 3.466 6.515 -7.808 1.00 0.53 H new ATOM 144 N PRO A 10 4.013 5.842 -4.252 1.00 0.34 N ATOM 145 CA PRO A 10 4.871 6.448 -3.232 1.00 0.32 C ATOM 146 C PRO A 10 5.257 7.885 -3.540 1.00 0.37 C ATOM 147 O PRO A 10 5.782 8.189 -4.611 1.00 0.64 O ATOM 148 CB PRO A 10 6.128 5.577 -3.214 1.00 0.38 C ATOM 149 CG PRO A 10 5.758 4.313 -3.908 1.00 0.39 C ATOM 150 CD PRO A 10 4.620 4.640 -4.837 1.00 0.42 C ATOM 0 HA PRO A 10 4.345 6.488 -2.278 1.00 0.32 H new ATOM 0 HB2 PRO A 10 6.955 6.074 -3.722 1.00 0.38 H new ATOM 0 HB3 PRO A 10 6.453 5.381 -2.192 1.00 0.38 H new ATOM 0 HG2 PRO A 10 6.607 3.915 -4.463 1.00 0.39 H new ATOM 0 HG3 PRO A 10 5.462 3.550 -3.188 1.00 0.39 H new ATOM 0 HD2 PRO A 10 4.974 4.826 -5.851 1.00 0.42 H new ATOM 0 HD3 PRO A 10 3.904 3.820 -4.895 1.00 0.42 H new ATOM 158 N LEU A 11 5.014 8.758 -2.573 1.00 0.34 N ATOM 159 CA LEU A 11 5.357 10.163 -2.706 1.00 0.43 C ATOM 160 C LEU A 11 6.730 10.400 -2.094 1.00 0.43 C ATOM 161 O LEU A 11 7.446 11.324 -2.481 1.00 0.57 O ATOM 162 CB LEU A 11 4.318 11.044 -2.012 1.00 0.56 C ATOM 163 CG LEU A 11 2.863 10.733 -2.364 1.00 0.92 C ATOM 164 CD1 LEU A 11 2.705 10.531 -3.864 1.00 1.64 C ATOM 165 CD2 LEU A 11 2.386 9.506 -1.606 1.00 1.12 C ATOM 0 H LEU A 11 4.578 8.514 -1.684 1.00 0.34 H new ATOM 0 HA LEU A 11 5.372 10.426 -3.764 1.00 0.43 H new ATOM 0 HB2 LEU A 11 4.443 10.946 -0.934 1.00 0.56 H new ATOM 0 HB3 LEU A 11 4.522 12.085 -2.263 1.00 0.56 H new ATOM 0 HG LEU A 11 2.248 11.583 -2.068 1.00 0.92 H new ATOM 0 HD11 LEU A 11 1.662 10.311 -4.094 1.00 1.64 H new ATOM 0 HD12 LEU A 11 3.008 11.438 -4.387 1.00 1.64 H new ATOM 0 HD13 LEU A 11 3.331 9.699 -4.187 1.00 1.64 H new ATOM 0 HD21 LEU A 11 1.349 9.297 -1.867 1.00 1.12 H new ATOM 0 HD22 LEU A 11 3.006 8.650 -1.872 1.00 1.12 H new ATOM 0 HD23 LEU A 11 2.460 9.689 -0.534 1.00 1.12 H new ATOM 177 N ASN A 12 7.091 9.546 -1.135 1.00 0.34 N ATOM 178 CA ASN A 12 8.378 9.645 -0.467 1.00 0.36 C ATOM 179 C ASN A 12 8.888 8.256 -0.118 1.00 0.37 C ATOM 180 O ASN A 12 8.101 7.347 0.126 1.00 0.58 O ATOM 181 CB ASN A 12 8.260 10.493 0.802 1.00 0.42 C ATOM 182 CG ASN A 12 9.567 10.589 1.560 1.00 0.58 C ATOM 183 OD1 ASN A 12 10.382 11.477 1.309 1.00 0.72 O ATOM 184 ND2 ASN A 12 9.770 9.669 2.496 1.00 0.71 N ATOM 0 H ASN A 12 6.505 8.778 -0.807 1.00 0.34 H new ATOM 0 HA ASN A 12 9.085 10.127 -1.142 1.00 0.36 H new ATOM 0 HB2 ASN A 12 7.924 11.495 0.535 1.00 0.42 H new ATOM 0 HB3 ASN A 12 7.498 10.064 1.452 1.00 0.42 H new ATOM 0 HD21 ASN A 12 10.631 9.679 3.043 1.00 0.71 H new ATOM 0 HD22 ASN A 12 9.065 8.952 2.668 1.00 0.71 H new ATOM 191 N ILE A 13 10.202 8.090 -0.098 1.00 0.38 N ATOM 192 CA ILE A 13 10.788 6.801 0.224 1.00 0.43 C ATOM 193 C ILE A 13 12.165 6.966 0.857 1.00 0.53 C ATOM 194 O ILE A 13 13.147 7.254 0.172 1.00 0.75 O ATOM 195 CB ILE A 13 10.891 5.903 -1.022 1.00 0.48 C ATOM 196 CG1 ILE A 13 11.419 6.700 -2.227 1.00 0.49 C ATOM 197 CG2 ILE A 13 9.538 5.261 -1.317 1.00 0.53 C ATOM 198 CD1 ILE A 13 10.369 7.520 -2.953 1.00 0.96 C ATOM 0 H ILE A 13 10.877 8.827 -0.300 1.00 0.38 H new ATOM 0 HA ILE A 13 10.126 6.319 0.944 1.00 0.43 H new ATOM 0 HB ILE A 13 11.606 5.104 -0.826 1.00 0.48 H new ATOM 0 HG12 ILE A 13 12.210 7.368 -1.885 1.00 0.49 H new ATOM 0 HG13 ILE A 13 11.872 6.005 -2.935 1.00 0.49 H new ATOM 0 HG21 ILE A 13 9.621 4.628 -2.200 1.00 0.53 H new ATOM 0 HG22 ILE A 13 9.229 4.656 -0.464 1.00 0.53 H new ATOM 0 HG23 ILE A 13 8.797 6.040 -1.497 1.00 0.53 H new ATOM 0 HD11 ILE A 13 10.832 8.047 -3.787 1.00 0.96 H new ATOM 0 HD12 ILE A 13 9.588 6.860 -3.330 1.00 0.96 H new ATOM 0 HD13 ILE A 13 9.932 8.243 -2.264 1.00 0.96 H new ATOM 210 N THR A 14 12.224 6.787 2.174 1.00 0.59 N ATOM 211 CA THR A 14 13.472 6.918 2.914 1.00 0.71 C ATOM 212 C THR A 14 14.033 5.563 3.305 1.00 0.79 C ATOM 213 O THR A 14 14.209 5.282 4.489 1.00 1.46 O ATOM 214 CB THR A 14 13.263 7.773 4.164 1.00 0.75 C ATOM 215 OG1 THR A 14 12.222 8.713 3.960 1.00 0.69 O ATOM 216 CG2 THR A 14 14.499 8.541 4.577 1.00 0.94 C ATOM 0 H THR A 14 11.417 6.550 2.751 1.00 0.59 H new ATOM 0 HA THR A 14 14.193 7.407 2.259 1.00 0.71 H new ATOM 0 HB THR A 14 13.010 7.069 4.957 1.00 0.75 H new ATOM 0 HG1 THR A 14 12.102 9.249 4.771 1.00 0.69 H new ATOM 0 HG21 THR A 14 14.282 9.127 5.470 1.00 0.94 H new ATOM 0 HG22 THR A 14 15.308 7.842 4.789 1.00 0.94 H new ATOM 0 HG23 THR A 14 14.799 9.209 3.769 1.00 0.94 H new ATOM 224 N ARG A 15 14.324 4.740 2.300 1.00 0.66 N ATOM 225 CA ARG A 15 14.889 3.413 2.517 1.00 0.67 C ATOM 226 C ARG A 15 13.988 2.529 3.378 1.00 0.71 C ATOM 227 O ARG A 15 13.396 1.567 2.890 1.00 1.19 O ATOM 228 CB ARG A 15 16.263 3.547 3.172 1.00 0.80 C ATOM 229 CG ARG A 15 17.107 4.652 2.575 1.00 0.96 C ATOM 230 CD ARG A 15 17.369 5.761 3.587 1.00 1.13 C ATOM 231 NE ARG A 15 18.782 6.129 3.650 1.00 1.43 N ATOM 232 CZ ARG A 15 19.683 5.476 4.380 1.00 1.67 C ATOM 233 NH1 ARG A 15 19.323 4.425 5.104 1.00 2.42 N ATOM 234 NH2 ARG A 15 20.947 5.876 4.386 1.00 1.90 N ATOM 0 H ARG A 15 14.175 4.974 1.318 1.00 0.66 H new ATOM 0 HA ARG A 15 14.979 2.930 1.544 1.00 0.67 H new ATOM 0 HB2 ARG A 15 16.133 3.735 4.238 1.00 0.80 H new ATOM 0 HB3 ARG A 15 16.796 2.601 3.078 1.00 0.80 H new ATOM 0 HG2 ARG A 15 18.056 4.241 2.230 1.00 0.96 H new ATOM 0 HG3 ARG A 15 16.602 5.066 1.702 1.00 0.96 H new ATOM 0 HD2 ARG A 15 16.778 6.638 3.323 1.00 1.13 H new ATOM 0 HD3 ARG A 15 17.035 5.437 4.573 1.00 1.13 H new ATOM 0 HE ARG A 15 19.095 6.931 3.104 1.00 1.43 H new ATOM 0 HH11 ARG A 15 18.352 4.114 5.103 1.00 2.42 H new ATOM 0 HH12 ARG A 15 20.017 3.928 5.662 1.00 2.42 H new ATOM 0 HH21 ARG A 15 21.229 6.684 3.831 1.00 1.90 H new ATOM 0 HH22 ARG A 15 21.638 5.376 4.945 1.00 1.90 H new ATOM 248 N HIS A 16 13.901 2.855 4.659 1.00 0.50 N ATOM 249 CA HIS A 16 13.085 2.084 5.593 1.00 0.54 C ATOM 250 C HIS A 16 11.641 2.573 5.619 1.00 0.57 C ATOM 251 O HIS A 16 10.726 1.807 5.923 1.00 0.97 O ATOM 252 CB HIS A 16 13.679 2.154 7.003 1.00 0.67 C ATOM 253 CG HIS A 16 14.987 1.438 7.144 1.00 0.68 C ATOM 254 ND1 HIS A 16 15.352 0.718 8.260 1.00 0.97 N ATOM 255 CD2 HIS A 16 16.029 1.338 6.279 1.00 0.78 C ATOM 256 CE1 HIS A 16 16.576 0.218 8.045 1.00 1.02 C ATOM 257 NE2 HIS A 16 17.031 0.564 6.857 1.00 0.86 N ATOM 0 H HIS A 16 14.385 3.649 5.079 1.00 0.50 H new ATOM 0 HA HIS A 16 13.086 1.050 5.248 1.00 0.54 H new ATOM 0 HB2 HIS A 16 13.816 3.200 7.278 1.00 0.67 H new ATOM 0 HB3 HIS A 16 12.965 1.730 7.709 1.00 0.67 H new ATOM 0 HD1 HIS A 16 14.790 0.588 9.101 1.00 0.97 H new ATOM 0 HD2 HIS A 16 16.073 1.788 5.298 1.00 0.78 H new ATOM 0 HE1 HIS A 16 17.120 -0.390 8.753 1.00 1.02 H new ATOM 265 N THR A 17 11.434 3.848 5.306 1.00 0.43 N ATOM 266 CA THR A 17 10.086 4.413 5.307 1.00 0.42 C ATOM 267 C THR A 17 9.628 4.763 3.896 1.00 0.38 C ATOM 268 O THR A 17 10.046 5.771 3.330 1.00 0.56 O ATOM 269 CB THR A 17 10.028 5.657 6.194 1.00 0.56 C ATOM 270 OG1 THR A 17 11.090 6.541 5.887 1.00 0.65 O ATOM 271 CG2 THR A 17 10.107 5.341 7.673 1.00 0.68 C ATOM 0 H THR A 17 12.172 4.504 5.051 1.00 0.43 H new ATOM 0 HA THR A 17 9.412 3.655 5.707 1.00 0.42 H new ATOM 0 HB THR A 17 9.061 6.115 5.987 1.00 0.56 H new ATOM 0 HG1 THR A 17 10.921 6.966 5.020 1.00 0.65 H new ATOM 0 HG21 THR A 17 10.061 6.267 8.246 1.00 0.68 H new ATOM 0 HG22 THR A 17 9.272 4.699 7.953 1.00 0.68 H new ATOM 0 HG23 THR A 17 11.046 4.829 7.886 1.00 0.68 H new ATOM 279 N VAL A 18 8.764 3.926 3.334 1.00 0.27 N ATOM 280 CA VAL A 18 8.249 4.153 1.991 1.00 0.33 C ATOM 281 C VAL A 18 6.834 4.726 2.036 1.00 0.32 C ATOM 282 O VAL A 18 5.856 3.985 2.148 1.00 0.51 O ATOM 283 CB VAL A 18 8.255 2.852 1.161 1.00 0.44 C ATOM 284 CG1 VAL A 18 7.690 3.096 -0.231 1.00 0.80 C ATOM 285 CG2 VAL A 18 9.662 2.275 1.079 1.00 0.46 C ATOM 0 H VAL A 18 8.406 3.085 3.787 1.00 0.27 H new ATOM 0 HA VAL A 18 8.909 4.876 1.511 1.00 0.33 H new ATOM 0 HB VAL A 18 7.616 2.125 1.662 1.00 0.44 H new ATOM 0 HG11 VAL A 18 7.704 2.165 -0.798 1.00 0.80 H new ATOM 0 HG12 VAL A 18 6.664 3.456 -0.149 1.00 0.80 H new ATOM 0 HG13 VAL A 18 8.296 3.842 -0.744 1.00 0.80 H new ATOM 0 HG21 VAL A 18 9.645 1.358 0.490 1.00 0.46 H new ATOM 0 HG22 VAL A 18 10.325 2.999 0.605 1.00 0.46 H new ATOM 0 HG23 VAL A 18 10.024 2.054 2.083 1.00 0.46 H new ATOM 295 N THR A 19 6.732 6.052 1.949 1.00 0.27 N ATOM 296 CA THR A 19 5.439 6.729 1.982 1.00 0.24 C ATOM 297 C THR A 19 4.753 6.695 0.624 1.00 0.22 C ATOM 298 O THR A 19 5.408 6.817 -0.414 1.00 0.34 O ATOM 299 CB THR A 19 5.591 8.180 2.416 1.00 0.28 C ATOM 300 OG1 THR A 19 6.098 8.268 3.737 1.00 0.35 O ATOM 301 CG2 THR A 19 4.281 8.933 2.365 1.00 0.32 C ATOM 0 H THR A 19 7.532 6.678 1.855 1.00 0.27 H new ATOM 0 HA THR A 19 4.825 6.192 2.705 1.00 0.24 H new ATOM 0 HB THR A 19 6.290 8.632 1.712 1.00 0.28 H new ATOM 0 HG1 THR A 19 6.187 9.210 3.991 1.00 0.35 H new ATOM 0 HG21 THR A 19 4.441 9.963 2.683 1.00 0.32 H new ATOM 0 HG22 THR A 19 3.896 8.924 1.345 1.00 0.32 H new ATOM 0 HG23 THR A 19 3.561 8.455 3.029 1.00 0.32 H new ATOM 309 N LEU A 20 3.427 6.536 0.655 1.00 0.28 N ATOM 310 CA LEU A 20 2.627 6.477 -0.562 1.00 0.26 C ATOM 311 C LEU A 20 1.183 6.903 -0.318 1.00 0.28 C ATOM 312 O LEU A 20 0.712 6.955 0.822 1.00 0.40 O ATOM 313 CB LEU A 20 2.623 5.054 -1.144 1.00 0.33 C ATOM 314 CG LEU A 20 3.265 3.973 -0.268 1.00 0.39 C ATOM 315 CD1 LEU A 20 2.308 2.823 -0.051 1.00 0.52 C ATOM 316 CD2 LEU A 20 4.557 3.519 -0.901 1.00 0.50 C ATOM 0 H LEU A 20 2.887 6.446 1.516 1.00 0.28 H new ATOM 0 HA LEU A 20 3.085 7.170 -1.267 1.00 0.26 H new ATOM 0 HB2 LEU A 20 1.591 4.767 -1.345 1.00 0.33 H new ATOM 0 HB3 LEU A 20 3.141 5.073 -2.103 1.00 0.33 H new ATOM 0 HG LEU A 20 3.492 4.386 0.715 1.00 0.39 H new ATOM 0 HD11 LEU A 20 2.784 2.067 0.573 1.00 0.52 H new ATOM 0 HD12 LEU A 20 1.407 3.187 0.443 1.00 0.52 H new ATOM 0 HD13 LEU A 20 2.042 2.385 -1.013 1.00 0.52 H new ATOM 0 HD21 LEU A 20 5.016 2.750 -0.280 1.00 0.50 H new ATOM 0 HD22 LEU A 20 4.354 3.112 -1.891 1.00 0.50 H new ATOM 0 HD23 LEU A 20 5.236 4.367 -0.990 1.00 0.50 H new ATOM 328 N LYS A 21 0.484 7.178 -1.413 1.00 0.25 N ATOM 329 CA LYS A 21 -0.921 7.568 -1.361 1.00 0.31 C ATOM 330 C LYS A 21 -1.639 7.031 -2.594 1.00 0.31 C ATOM 331 O LYS A 21 -1.014 6.429 -3.468 1.00 0.51 O ATOM 332 CB LYS A 21 -1.083 9.091 -1.258 1.00 0.40 C ATOM 333 CG LYS A 21 -0.890 9.822 -2.575 1.00 0.81 C ATOM 334 CD LYS A 21 -2.145 9.749 -3.425 1.00 0.95 C ATOM 335 CE LYS A 21 -2.341 11.009 -4.254 1.00 1.26 C ATOM 336 NZ LYS A 21 -3.667 11.033 -4.928 1.00 1.84 N ATOM 0 H LYS A 21 0.871 7.138 -2.356 1.00 0.25 H new ATOM 0 HA LYS A 21 -1.367 7.138 -0.464 1.00 0.31 H new ATOM 0 HB2 LYS A 21 -2.077 9.315 -0.872 1.00 0.40 H new ATOM 0 HB3 LYS A 21 -0.365 9.474 -0.533 1.00 0.40 H new ATOM 0 HG2 LYS A 21 -0.636 10.865 -2.383 1.00 0.81 H new ATOM 0 HG3 LYS A 21 -0.052 9.385 -3.118 1.00 0.81 H new ATOM 0 HD2 LYS A 21 -2.086 8.885 -4.086 1.00 0.95 H new ATOM 0 HD3 LYS A 21 -3.012 9.599 -2.781 1.00 0.95 H new ATOM 0 HE2 LYS A 21 -2.245 11.884 -3.611 1.00 1.26 H new ATOM 0 HE3 LYS A 21 -1.552 11.076 -5.003 1.00 1.26 H new ATOM 0 HZ1 LYS A 21 -3.759 11.908 -5.482 1.00 1.84 H new ATOM 0 HZ2 LYS A 21 -3.749 10.212 -5.561 1.00 1.84 H new ATOM 0 HZ3 LYS A 21 -4.421 10.995 -4.213 1.00 1.84 H new ATOM 350 N TRP A 22 -2.946 7.231 -2.663 1.00 0.25 N ATOM 351 CA TRP A 22 -3.717 6.741 -3.800 1.00 0.24 C ATOM 352 C TRP A 22 -5.030 7.494 -3.976 1.00 0.24 C ATOM 353 O TRP A 22 -5.333 8.431 -3.238 1.00 0.40 O ATOM 354 CB TRP A 22 -4.005 5.254 -3.625 1.00 0.27 C ATOM 355 CG TRP A 22 -4.498 4.902 -2.256 1.00 0.26 C ATOM 356 CD1 TRP A 22 -5.796 4.731 -1.873 1.00 0.32 C ATOM 357 CD2 TRP A 22 -3.700 4.681 -1.088 1.00 0.25 C ATOM 358 NE1 TRP A 22 -5.854 4.416 -0.538 1.00 0.33 N ATOM 359 CE2 TRP A 22 -4.581 4.380 -0.035 1.00 0.28 C ATOM 360 CE3 TRP A 22 -2.328 4.707 -0.831 1.00 0.27 C ATOM 361 CZ2 TRP A 22 -4.136 4.109 1.254 1.00 0.31 C ATOM 362 CZ3 TRP A 22 -1.884 4.436 0.452 1.00 0.31 C ATOM 363 CH2 TRP A 22 -2.790 4.140 1.480 1.00 0.32 C ATOM 0 H TRP A 22 -3.492 7.723 -1.956 1.00 0.25 H new ATOM 0 HA TRP A 22 -3.117 6.908 -4.695 1.00 0.24 H new ATOM 0 HB2 TRP A 22 -4.748 4.946 -4.361 1.00 0.27 H new ATOM 0 HB3 TRP A 22 -3.097 4.688 -3.833 1.00 0.27 H new ATOM 0 HD1 TRP A 22 -6.652 4.829 -2.524 1.00 0.32 H new ATOM 0 HE1 TRP A 22 -6.707 4.238 -0.007 1.00 0.33 H new ATOM 0 HE3 TRP A 22 -1.625 4.934 -1.619 1.00 0.27 H new ATOM 0 HZ2 TRP A 22 -4.831 3.882 2.049 1.00 0.31 H new ATOM 0 HZ3 TRP A 22 -0.825 4.453 0.664 1.00 0.31 H new ATOM 0 HH2 TRP A 22 -2.415 3.932 2.471 1.00 0.32 H new ATOM 374 N ALA A 23 -5.802 7.059 -4.966 1.00 0.31 N ATOM 375 CA ALA A 23 -7.092 7.663 -5.268 1.00 0.33 C ATOM 376 C ALA A 23 -8.228 6.777 -4.776 1.00 0.36 C ATOM 377 O ALA A 23 -7.994 5.692 -4.242 1.00 0.83 O ATOM 378 CB ALA A 23 -7.220 7.889 -6.766 1.00 0.36 C ATOM 0 H ALA A 23 -5.552 6.282 -5.578 1.00 0.31 H new ATOM 0 HA ALA A 23 -7.155 8.622 -4.754 1.00 0.33 H new ATOM 0 HB1 ALA A 23 -8.187 8.341 -6.984 1.00 0.36 H new ATOM 0 HB2 ALA A 23 -6.425 8.554 -7.103 1.00 0.36 H new ATOM 0 HB3 ALA A 23 -7.140 6.934 -7.286 1.00 0.36 H new ATOM 384 N LYS A 24 -9.461 7.235 -4.969 1.00 0.59 N ATOM 385 CA LYS A 24 -10.626 6.469 -4.552 1.00 0.61 C ATOM 386 C LYS A 24 -11.123 5.597 -5.702 1.00 0.59 C ATOM 387 O LYS A 24 -10.853 5.884 -6.869 1.00 0.69 O ATOM 388 CB LYS A 24 -11.743 7.399 -4.072 1.00 0.74 C ATOM 389 CG LYS A 24 -12.428 8.161 -5.195 1.00 1.21 C ATOM 390 CD LYS A 24 -13.650 7.418 -5.711 1.00 1.22 C ATOM 391 CE LYS A 24 -14.939 8.031 -5.186 1.00 1.55 C ATOM 392 NZ LYS A 24 -15.753 8.635 -6.279 1.00 2.11 N ATOM 0 H LYS A 24 -9.677 8.129 -5.410 1.00 0.59 H new ATOM 0 HA LYS A 24 -10.335 5.826 -3.722 1.00 0.61 H new ATOM 0 HB2 LYS A 24 -12.488 6.811 -3.536 1.00 0.74 H new ATOM 0 HB3 LYS A 24 -11.329 8.113 -3.360 1.00 0.74 H new ATOM 0 HG2 LYS A 24 -12.725 9.147 -4.838 1.00 1.21 H new ATOM 0 HG3 LYS A 24 -11.724 8.316 -6.012 1.00 1.21 H new ATOM 0 HD2 LYS A 24 -13.655 7.436 -6.801 1.00 1.22 H new ATOM 0 HD3 LYS A 24 -13.595 6.372 -5.410 1.00 1.22 H new ATOM 0 HE2 LYS A 24 -15.525 7.265 -4.678 1.00 1.55 H new ATOM 0 HE3 LYS A 24 -14.702 8.795 -4.445 1.00 1.55 H new ATOM 0 HZ1 LYS A 24 -16.623 9.042 -5.880 1.00 2.11 H new ATOM 0 HZ2 LYS A 24 -15.204 9.384 -6.748 1.00 2.11 H new ATOM 0 HZ3 LYS A 24 -16.001 7.901 -6.973 1.00 2.11 H new ATOM 406 N PRO A 25 -11.852 4.514 -5.390 1.00 0.56 N ATOM 407 CA PRO A 25 -12.380 3.599 -6.408 1.00 0.63 C ATOM 408 C PRO A 25 -13.247 4.312 -7.437 1.00 0.75 C ATOM 409 O PRO A 25 -13.122 5.519 -7.643 1.00 0.89 O ATOM 410 CB PRO A 25 -13.218 2.603 -5.604 1.00 0.63 C ATOM 411 CG PRO A 25 -12.685 2.680 -4.214 1.00 0.71 C ATOM 412 CD PRO A 25 -12.216 4.094 -4.026 1.00 0.58 C ATOM 0 HA PRO A 25 -11.580 3.133 -6.983 1.00 0.63 H new ATOM 0 HB2 PRO A 25 -14.276 2.862 -5.635 1.00 0.63 H new ATOM 0 HB3 PRO A 25 -13.125 1.594 -6.007 1.00 0.63 H new ATOM 0 HG2 PRO A 25 -13.455 2.425 -3.486 1.00 0.71 H new ATOM 0 HG3 PRO A 25 -11.866 1.975 -4.071 1.00 0.71 H new ATOM 0 HD2 PRO A 25 -12.999 4.725 -3.606 1.00 0.58 H new ATOM 0 HD3 PRO A 25 -11.365 4.149 -3.348 1.00 0.58 H new ATOM 420 N GLU A 26 -14.124 3.556 -8.089 1.00 0.85 N ATOM 421 CA GLU A 26 -15.007 4.115 -9.104 1.00 1.05 C ATOM 422 C GLU A 26 -16.473 3.989 -8.695 1.00 0.95 C ATOM 423 O GLU A 26 -17.315 4.771 -9.135 1.00 1.12 O ATOM 424 CB GLU A 26 -14.790 3.432 -10.466 1.00 1.29 C ATOM 425 CG GLU A 26 -13.744 2.322 -10.471 1.00 1.83 C ATOM 426 CD GLU A 26 -13.437 1.817 -11.867 1.00 2.18 C ATOM 427 OE1 GLU A 26 -14.371 1.341 -12.546 1.00 2.77 O ATOM 428 OE2 GLU A 26 -12.261 1.899 -12.283 1.00 2.53 O ATOM 0 H GLU A 26 -14.242 2.555 -7.932 1.00 0.85 H new ATOM 0 HA GLU A 26 -14.760 5.173 -9.196 1.00 1.05 H new ATOM 0 HB2 GLU A 26 -15.740 3.017 -10.803 1.00 1.29 H new ATOM 0 HB3 GLU A 26 -14.497 4.190 -11.193 1.00 1.29 H new ATOM 0 HG2 GLU A 26 -12.827 2.690 -10.012 1.00 1.83 H new ATOM 0 HG3 GLU A 26 -14.097 1.493 -9.858 1.00 1.83 H new ATOM 435 N TYR A 27 -16.781 2.997 -7.860 1.00 0.85 N ATOM 436 CA TYR A 27 -18.155 2.783 -7.415 1.00 0.84 C ATOM 437 C TYR A 27 -18.234 2.543 -5.908 1.00 0.86 C ATOM 438 O TYR A 27 -18.781 3.363 -5.172 1.00 1.37 O ATOM 439 CB TYR A 27 -18.772 1.599 -8.162 1.00 0.86 C ATOM 440 CG TYR A 27 -20.284 1.598 -8.156 1.00 0.94 C ATOM 441 CD1 TYR A 27 -21.001 2.624 -8.760 1.00 1.15 C ATOM 442 CD2 TYR A 27 -20.994 0.571 -7.549 1.00 0.93 C ATOM 443 CE1 TYR A 27 -22.383 2.627 -8.756 1.00 1.28 C ATOM 444 CE2 TYR A 27 -22.377 0.568 -7.541 1.00 1.04 C ATOM 445 CZ TYR A 27 -23.066 1.597 -8.146 1.00 1.19 C ATOM 446 OH TYR A 27 -24.442 1.596 -8.139 1.00 1.35 O ATOM 0 H TYR A 27 -16.104 2.335 -7.482 1.00 0.85 H new ATOM 0 HA TYR A 27 -18.717 3.690 -7.638 1.00 0.84 H new ATOM 0 HB2 TYR A 27 -18.422 1.609 -9.194 1.00 0.86 H new ATOM 0 HB3 TYR A 27 -18.415 0.672 -7.714 1.00 0.86 H new ATOM 0 HD1 TYR A 27 -20.469 3.432 -9.240 1.00 1.15 H new ATOM 0 HD2 TYR A 27 -20.458 -0.238 -7.076 1.00 0.93 H new ATOM 0 HE1 TYR A 27 -22.925 3.433 -9.229 1.00 1.28 H new ATOM 0 HE2 TYR A 27 -22.915 -0.237 -7.063 1.00 1.04 H new ATOM 0 HH TYR A 27 -24.766 0.799 -7.669 1.00 1.35 H new ATOM 456 N THR A 28 -17.702 1.410 -5.459 1.00 0.65 N ATOM 457 CA THR A 28 -17.726 1.055 -4.040 1.00 0.61 C ATOM 458 C THR A 28 -19.156 0.833 -3.570 1.00 0.66 C ATOM 459 O THR A 28 -19.502 1.148 -2.432 1.00 0.81 O ATOM 460 CB THR A 28 -17.069 2.140 -3.182 1.00 0.64 C ATOM 461 OG1 THR A 28 -17.984 3.183 -2.893 1.00 0.91 O ATOM 462 CG2 THR A 28 -15.851 2.759 -3.823 1.00 0.79 C ATOM 0 H THR A 28 -17.248 0.720 -6.057 1.00 0.65 H new ATOM 0 HA THR A 28 -17.159 0.131 -3.924 1.00 0.61 H new ATOM 0 HB THR A 28 -16.757 1.630 -2.271 1.00 0.64 H new ATOM 0 HG1 THR A 28 -18.202 3.665 -3.718 1.00 0.91 H new ATOM 0 HG21 THR A 28 -15.437 3.519 -3.160 1.00 0.79 H new ATOM 0 HG22 THR A 28 -15.102 1.987 -4.002 1.00 0.79 H new ATOM 0 HG23 THR A 28 -16.132 3.219 -4.770 1.00 0.79 H new ATOM 470 N GLY A 29 -19.987 0.292 -4.455 1.00 0.75 N ATOM 471 CA GLY A 29 -21.373 0.041 -4.107 1.00 0.80 C ATOM 472 C GLY A 29 -22.034 1.267 -3.504 1.00 0.85 C ATOM 473 O GLY A 29 -22.515 2.144 -4.222 1.00 1.01 O ATOM 0 H GLY A 29 -19.726 0.024 -5.404 1.00 0.75 H new ATOM 0 HA2 GLY A 29 -21.921 -0.267 -4.997 1.00 0.80 H new ATOM 0 HA3 GLY A 29 -21.426 -0.786 -3.399 1.00 0.80 H new ATOM 477 N GLY A 30 -22.039 1.326 -2.181 1.00 0.83 N ATOM 478 CA GLY A 30 -22.622 2.451 -1.474 1.00 0.89 C ATOM 479 C GLY A 30 -21.876 2.711 -0.184 1.00 0.85 C ATOM 480 O GLY A 30 -22.446 3.190 0.797 1.00 0.98 O ATOM 0 H GLY A 30 -21.645 0.605 -1.576 1.00 0.83 H new ATOM 0 HA2 GLY A 30 -22.591 3.340 -2.104 1.00 0.89 H new ATOM 0 HA3 GLY A 30 -23.671 2.249 -1.260 1.00 0.89 H new ATOM 484 N PHE A 31 -20.592 2.365 -0.193 1.00 0.73 N ATOM 485 CA PHE A 31 -19.727 2.523 0.969 1.00 0.69 C ATOM 486 C PHE A 31 -18.744 3.672 0.784 1.00 0.67 C ATOM 487 O PHE A 31 -18.727 4.331 -0.255 1.00 0.74 O ATOM 488 CB PHE A 31 -18.948 1.225 1.207 1.00 0.63 C ATOM 489 CG PHE A 31 -19.669 -0.011 0.736 1.00 0.67 C ATOM 490 CD1 PHE A 31 -20.710 -0.546 1.478 1.00 0.79 C ATOM 491 CD2 PHE A 31 -19.297 -0.640 -0.441 1.00 0.64 C ATOM 492 CE1 PHE A 31 -21.369 -1.684 1.052 1.00 0.87 C ATOM 493 CE2 PHE A 31 -19.952 -1.778 -0.870 1.00 0.73 C ATOM 494 CZ PHE A 31 -21.010 -2.280 -0.143 1.00 0.83 C ATOM 0 H PHE A 31 -20.123 1.967 -1.007 1.00 0.73 H new ATOM 0 HA PHE A 31 -20.358 2.750 1.829 1.00 0.69 H new ATOM 0 HB2 PHE A 31 -17.987 1.290 0.697 1.00 0.63 H new ATOM 0 HB3 PHE A 31 -18.738 1.128 2.272 1.00 0.63 H new ATOM 0 HD1 PHE A 31 -21.010 -0.069 2.399 1.00 0.79 H new ATOM 0 HD2 PHE A 31 -18.486 -0.236 -1.029 1.00 0.64 H new ATOM 0 HE1 PHE A 31 -22.162 -2.107 1.651 1.00 0.87 H new ATOM 0 HE2 PHE A 31 -19.635 -2.275 -1.775 1.00 0.73 H new ATOM 0 HZ PHE A 31 -21.558 -3.137 -0.506 1.00 0.83 H new ATOM 504 N LYS A 32 -17.925 3.899 1.806 1.00 0.68 N ATOM 505 CA LYS A 32 -16.929 4.966 1.773 1.00 0.72 C ATOM 506 C LYS A 32 -15.553 4.475 2.255 1.00 0.66 C ATOM 507 O LYS A 32 -14.596 5.248 2.285 1.00 0.74 O ATOM 508 CB LYS A 32 -17.413 6.144 2.631 1.00 0.86 C ATOM 509 CG LYS A 32 -16.334 7.164 2.971 1.00 1.38 C ATOM 510 CD LYS A 32 -15.633 6.819 4.276 1.00 1.38 C ATOM 511 CE LYS A 32 -14.273 7.490 4.370 1.00 1.50 C ATOM 512 NZ LYS A 32 -14.389 8.928 4.737 1.00 2.26 N ATOM 0 H LYS A 32 -17.931 3.357 2.670 1.00 0.68 H new ATOM 0 HA LYS A 32 -16.810 5.293 0.740 1.00 0.72 H new ATOM 0 HB2 LYS A 32 -18.222 6.651 2.105 1.00 0.86 H new ATOM 0 HB3 LYS A 32 -17.831 5.753 3.559 1.00 0.86 H new ATOM 0 HG2 LYS A 32 -15.603 7.205 2.164 1.00 1.38 H new ATOM 0 HG3 LYS A 32 -16.780 8.156 3.047 1.00 1.38 H new ATOM 0 HD2 LYS A 32 -16.253 7.130 5.117 1.00 1.38 H new ATOM 0 HD3 LYS A 32 -15.513 5.738 4.351 1.00 1.38 H new ATOM 0 HE2 LYS A 32 -13.664 6.974 5.112 1.00 1.50 H new ATOM 0 HE3 LYS A 32 -13.756 7.399 3.414 1.00 1.50 H new ATOM 0 HZ1 LYS A 32 -13.440 9.350 4.791 1.00 2.26 H new ATOM 0 HZ2 LYS A 32 -14.949 9.426 4.016 1.00 2.26 H new ATOM 0 HZ3 LYS A 32 -14.859 9.014 5.661 1.00 2.26 H new ATOM 526 N ILE A 33 -15.454 3.198 2.632 1.00 0.67 N ATOM 527 CA ILE A 33 -14.194 2.634 3.111 1.00 0.66 C ATOM 528 C ILE A 33 -13.715 3.359 4.365 1.00 0.80 C ATOM 529 O ILE A 33 -13.640 4.587 4.396 1.00 1.71 O ATOM 530 CB ILE A 33 -13.089 2.700 2.038 1.00 0.59 C ATOM 531 CG1 ILE A 33 -13.544 1.992 0.761 1.00 0.79 C ATOM 532 CG2 ILE A 33 -11.803 2.076 2.563 1.00 0.58 C ATOM 533 CD1 ILE A 33 -13.549 2.887 -0.459 1.00 0.91 C ATOM 0 H ILE A 33 -16.231 2.538 2.614 1.00 0.67 H new ATOM 0 HA ILE A 33 -14.389 1.587 3.345 1.00 0.66 H new ATOM 0 HB ILE A 33 -12.895 3.746 1.803 1.00 0.59 H new ATOM 0 HG12 ILE A 33 -12.889 1.141 0.574 1.00 0.79 H new ATOM 0 HG13 ILE A 33 -14.547 1.594 0.914 1.00 0.79 H new ATOM 0 HG21 ILE A 33 -11.032 2.130 1.794 1.00 0.58 H new ATOM 0 HG22 ILE A 33 -11.471 2.618 3.449 1.00 0.58 H new ATOM 0 HG23 ILE A 33 -11.984 1.033 2.822 1.00 0.58 H new ATOM 0 HD11 ILE A 33 -13.882 2.318 -1.327 1.00 0.91 H new ATOM 0 HD12 ILE A 33 -14.226 3.725 -0.293 1.00 0.91 H new ATOM 0 HD13 ILE A 33 -12.542 3.264 -0.638 1.00 0.91 H new ATOM 545 N THR A 34 -13.396 2.595 5.405 1.00 0.72 N ATOM 546 CA THR A 34 -12.934 3.175 6.662 1.00 0.73 C ATOM 547 C THR A 34 -11.502 2.753 6.984 1.00 0.59 C ATOM 548 O THR A 34 -11.108 2.722 8.150 1.00 0.76 O ATOM 549 CB THR A 34 -13.865 2.766 7.807 1.00 0.99 C ATOM 550 OG1 THR A 34 -13.484 1.510 8.338 1.00 1.09 O ATOM 551 CG2 THR A 34 -15.319 2.669 7.396 1.00 1.15 C ATOM 0 H THR A 34 -13.448 1.576 5.403 1.00 0.72 H new ATOM 0 HA THR A 34 -12.949 4.259 6.550 1.00 0.73 H new ATOM 0 HB THR A 34 -13.769 3.556 8.551 1.00 0.99 H new ATOM 0 HG1 THR A 34 -12.637 1.603 8.822 1.00 1.09 H new ATOM 0 HG21 THR A 34 -15.921 2.375 8.256 1.00 1.15 H new ATOM 0 HG22 THR A 34 -15.659 3.637 7.029 1.00 1.15 H new ATOM 0 HG23 THR A 34 -15.425 1.924 6.607 1.00 1.15 H new ATOM 559 N SER A 35 -10.727 2.429 5.952 1.00 0.49 N ATOM 560 CA SER A 35 -9.340 2.011 6.142 1.00 0.47 C ATOM 561 C SER A 35 -8.732 1.512 4.837 1.00 0.45 C ATOM 562 O SER A 35 -9.449 1.225 3.878 1.00 0.72 O ATOM 563 CB SER A 35 -9.258 0.904 7.197 1.00 0.64 C ATOM 564 OG SER A 35 -9.080 1.443 8.496 1.00 1.58 O ATOM 0 H SER A 35 -11.034 2.448 4.979 1.00 0.49 H new ATOM 0 HA SER A 35 -8.775 2.880 6.480 1.00 0.47 H new ATOM 0 HB2 SER A 35 -10.169 0.306 7.171 1.00 0.64 H new ATOM 0 HB3 SER A 35 -8.430 0.235 6.962 1.00 0.64 H new ATOM 0 HG SER A 35 -9.653 2.231 8.605 1.00 1.58 H new ATOM 570 N TYR A 36 -7.406 1.406 4.810 1.00 0.27 N ATOM 571 CA TYR A 36 -6.698 0.933 3.629 1.00 0.28 C ATOM 572 C TYR A 36 -5.513 0.062 4.030 1.00 0.33 C ATOM 573 O TYR A 36 -4.495 0.558 4.512 1.00 0.68 O ATOM 574 CB TYR A 36 -6.227 2.107 2.779 1.00 0.29 C ATOM 575 CG TYR A 36 -7.344 2.815 2.045 1.00 0.33 C ATOM 576 CD1 TYR A 36 -8.151 2.134 1.140 1.00 0.53 C ATOM 577 CD2 TYR A 36 -7.592 4.164 2.255 1.00 0.57 C ATOM 578 CE1 TYR A 36 -9.172 2.780 0.469 1.00 0.64 C ATOM 579 CE2 TYR A 36 -8.610 4.817 1.588 1.00 0.67 C ATOM 580 CZ TYR A 36 -9.397 4.120 0.696 1.00 0.60 C ATOM 581 OH TYR A 36 -10.413 4.766 0.029 1.00 0.76 O ATOM 0 H TYR A 36 -6.801 1.643 5.596 1.00 0.27 H new ATOM 0 HA TYR A 36 -7.387 0.332 3.036 1.00 0.28 H new ATOM 0 HB2 TYR A 36 -5.713 2.824 3.419 1.00 0.29 H new ATOM 0 HB3 TYR A 36 -5.497 1.748 2.053 1.00 0.29 H new ATOM 0 HD1 TYR A 36 -7.977 1.084 0.959 1.00 0.53 H new ATOM 0 HD2 TYR A 36 -6.978 4.713 2.953 1.00 0.57 H new ATOM 0 HE1 TYR A 36 -9.791 2.237 -0.230 1.00 0.64 H new ATOM 0 HE2 TYR A 36 -8.788 5.867 1.764 1.00 0.67 H new ATOM 0 HH TYR A 36 -10.438 5.706 0.303 1.00 0.76 H new ATOM 591 N ILE A 37 -5.660 -1.243 3.830 1.00 0.24 N ATOM 592 CA ILE A 37 -4.613 -2.199 4.171 1.00 0.26 C ATOM 593 C ILE A 37 -3.631 -2.371 3.016 1.00 0.33 C ATOM 594 O ILE A 37 -3.863 -3.172 2.111 1.00 0.70 O ATOM 595 CB ILE A 37 -5.187 -3.591 4.525 1.00 0.36 C ATOM 596 CG1 ILE A 37 -6.535 -3.489 5.256 1.00 0.41 C ATOM 597 CG2 ILE A 37 -4.184 -4.367 5.368 1.00 0.46 C ATOM 598 CD1 ILE A 37 -7.521 -4.557 4.837 1.00 1.14 C ATOM 0 H ILE A 37 -6.499 -1.665 3.431 1.00 0.24 H new ATOM 0 HA ILE A 37 -4.103 -1.790 5.043 1.00 0.26 H new ATOM 0 HB ILE A 37 -5.365 -4.124 3.591 1.00 0.36 H new ATOM 0 HG12 ILE A 37 -6.365 -3.561 6.330 1.00 0.41 H new ATOM 0 HG13 ILE A 37 -6.970 -2.508 5.068 1.00 0.41 H new ATOM 0 HG21 ILE A 37 -4.595 -5.346 5.613 1.00 0.46 H new ATOM 0 HG22 ILE A 37 -3.258 -4.493 4.807 1.00 0.46 H new ATOM 0 HG23 ILE A 37 -3.980 -3.818 6.288 1.00 0.46 H new ATOM 0 HD11 ILE A 37 -8.452 -4.430 5.389 1.00 1.14 H new ATOM 0 HD12 ILE A 37 -7.718 -4.471 3.768 1.00 1.14 H new ATOM 0 HD13 ILE A 37 -7.104 -5.541 5.051 1.00 1.14 H new ATOM 610 N VAL A 38 -2.537 -1.622 3.050 1.00 0.36 N ATOM 611 CA VAL A 38 -1.529 -1.706 1.997 1.00 0.42 C ATOM 612 C VAL A 38 -0.528 -2.820 2.294 1.00 0.35 C ATOM 613 O VAL A 38 0.221 -2.760 3.270 1.00 0.48 O ATOM 614 CB VAL A 38 -0.811 -0.343 1.787 1.00 0.63 C ATOM 615 CG1 VAL A 38 -0.511 0.320 3.117 1.00 0.46 C ATOM 616 CG2 VAL A 38 0.456 -0.475 0.944 1.00 0.51 C ATOM 0 H VAL A 38 -2.324 -0.953 3.790 1.00 0.36 H new ATOM 0 HA VAL A 38 -2.039 -1.950 1.065 1.00 0.42 H new ATOM 0 HB VAL A 38 -1.497 0.294 1.229 1.00 0.63 H new ATOM 0 HG11 VAL A 38 -0.009 1.272 2.944 1.00 0.46 H new ATOM 0 HG12 VAL A 38 -1.443 0.494 3.655 1.00 0.46 H new ATOM 0 HG13 VAL A 38 0.134 -0.328 3.709 1.00 0.46 H new ATOM 0 HG21 VAL A 38 0.919 0.505 0.827 1.00 0.51 H new ATOM 0 HG22 VAL A 38 1.154 -1.150 1.440 1.00 0.51 H new ATOM 0 HG23 VAL A 38 0.200 -0.875 -0.037 1.00 0.51 H new ATOM 626 N GLU A 39 -0.533 -3.843 1.439 1.00 0.30 N ATOM 627 CA GLU A 39 0.363 -4.983 1.597 1.00 0.33 C ATOM 628 C GLU A 39 1.712 -4.709 0.945 1.00 0.32 C ATOM 629 O GLU A 39 1.822 -3.871 0.048 1.00 0.43 O ATOM 630 CB GLU A 39 -0.270 -6.238 0.989 1.00 0.42 C ATOM 631 CG GLU A 39 -1.712 -6.459 1.417 1.00 0.51 C ATOM 632 CD GLU A 39 -1.887 -7.711 2.255 1.00 0.92 C ATOM 633 OE1 GLU A 39 -1.153 -7.864 3.254 1.00 1.67 O ATOM 634 OE2 GLU A 39 -2.758 -8.538 1.913 1.00 1.52 O ATOM 0 H GLU A 39 -1.150 -3.903 0.629 1.00 0.30 H new ATOM 0 HA GLU A 39 0.525 -5.145 2.663 1.00 0.33 H new ATOM 0 HB2 GLU A 39 -0.229 -6.166 -0.098 1.00 0.42 H new ATOM 0 HB3 GLU A 39 0.322 -7.108 1.273 1.00 0.42 H new ATOM 0 HG2 GLU A 39 -2.055 -5.595 1.986 1.00 0.51 H new ATOM 0 HG3 GLU A 39 -2.343 -6.528 0.531 1.00 0.51 H new ATOM 641 N LYS A 40 2.739 -5.416 1.405 1.00 0.28 N ATOM 642 CA LYS A 40 4.085 -5.243 0.869 1.00 0.31 C ATOM 643 C LYS A 40 4.641 -6.558 0.331 1.00 0.29 C ATOM 644 O LYS A 40 4.407 -7.623 0.903 1.00 0.35 O ATOM 645 CB LYS A 40 5.012 -4.691 1.952 1.00 0.43 C ATOM 646 CG LYS A 40 4.809 -5.335 3.315 1.00 0.92 C ATOM 647 CD LYS A 40 6.120 -5.459 4.075 1.00 1.14 C ATOM 648 CE LYS A 40 6.585 -6.904 4.154 1.00 1.65 C ATOM 649 NZ LYS A 40 7.657 -7.088 5.171 1.00 1.97 N ATOM 0 H LYS A 40 2.666 -6.113 2.146 1.00 0.28 H new ATOM 0 HA LYS A 40 4.030 -4.535 0.042 1.00 0.31 H new ATOM 0 HB2 LYS A 40 6.047 -4.837 1.641 1.00 0.43 H new ATOM 0 HB3 LYS A 40 4.854 -3.616 2.040 1.00 0.43 H new ATOM 0 HG2 LYS A 40 4.105 -4.741 3.898 1.00 0.92 H new ATOM 0 HG3 LYS A 40 4.366 -6.323 3.189 1.00 0.92 H new ATOM 0 HD2 LYS A 40 6.884 -4.856 3.584 1.00 1.14 H new ATOM 0 HD3 LYS A 40 5.997 -5.060 5.082 1.00 1.14 H new ATOM 0 HE2 LYS A 40 5.738 -7.545 4.399 1.00 1.65 H new ATOM 0 HE3 LYS A 40 6.952 -7.221 3.178 1.00 1.65 H new ATOM 0 HZ1 LYS A 40 7.946 -8.087 5.194 1.00 1.97 H new ATOM 0 HZ2 LYS A 40 8.475 -6.496 4.924 1.00 1.97 H new ATOM 0 HZ3 LYS A 40 7.299 -6.810 6.107 1.00 1.97 H new ATOM 663 N ARG A 41 5.386 -6.471 -0.767 1.00 0.36 N ATOM 664 CA ARG A 41 5.985 -7.651 -1.382 1.00 0.40 C ATOM 665 C ARG A 41 7.504 -7.535 -1.396 1.00 0.41 C ATOM 666 O ARG A 41 8.065 -6.673 -2.080 1.00 0.43 O ATOM 667 CB ARG A 41 5.468 -7.838 -2.811 1.00 0.46 C ATOM 668 CG ARG A 41 6.055 -9.045 -3.525 1.00 0.58 C ATOM 669 CD ARG A 41 5.705 -9.041 -5.006 1.00 0.88 C ATOM 670 NE ARG A 41 4.694 -10.041 -5.343 1.00 0.95 N ATOM 671 CZ ARG A 41 4.149 -10.155 -6.551 1.00 1.13 C ATOM 672 NH1 ARG A 41 4.514 -9.336 -7.528 1.00 1.44 N ATOM 673 NH2 ARG A 41 3.239 -11.092 -6.783 1.00 1.44 N ATOM 0 H ARG A 41 5.589 -5.595 -1.249 1.00 0.36 H new ATOM 0 HA ARG A 41 5.701 -8.520 -0.788 1.00 0.40 H new ATOM 0 HB2 ARG A 41 4.383 -7.936 -2.784 1.00 0.46 H new ATOM 0 HB3 ARG A 41 5.693 -6.941 -3.389 1.00 0.46 H new ATOM 0 HG2 ARG A 41 7.138 -9.048 -3.406 1.00 0.58 H new ATOM 0 HG3 ARG A 41 5.681 -9.959 -3.064 1.00 0.58 H new ATOM 0 HD2 ARG A 41 5.342 -8.053 -5.288 1.00 0.88 H new ATOM 0 HD3 ARG A 41 6.606 -9.228 -5.590 1.00 0.88 H new ATOM 0 HE ARG A 41 4.390 -10.686 -4.613 1.00 0.95 H new ATOM 0 HH11 ARG A 41 5.215 -8.616 -7.354 1.00 1.44 H new ATOM 0 HH12 ARG A 41 4.094 -9.426 -8.453 1.00 1.44 H new ATOM 0 HH21 ARG A 41 2.957 -11.725 -6.035 1.00 1.44 H new ATOM 0 HH22 ARG A 41 2.821 -11.179 -7.709 1.00 1.44 H new ATOM 687 N ASP A 42 8.162 -8.410 -0.642 1.00 0.50 N ATOM 688 CA ASP A 42 9.616 -8.417 -0.564 1.00 0.57 C ATOM 689 C ASP A 42 10.212 -9.115 -1.780 1.00 0.62 C ATOM 690 O ASP A 42 10.222 -10.343 -1.863 1.00 0.91 O ATOM 691 CB ASP A 42 10.080 -9.111 0.717 1.00 0.71 C ATOM 692 CG ASP A 42 8.985 -9.945 1.352 1.00 0.93 C ATOM 693 OD1 ASP A 42 7.889 -10.035 0.758 1.00 1.49 O ATOM 694 OD2 ASP A 42 9.221 -10.510 2.440 1.00 1.59 O ATOM 0 H ASP A 42 7.708 -9.126 -0.075 1.00 0.50 H new ATOM 0 HA ASP A 42 9.962 -7.384 -0.548 1.00 0.57 H new ATOM 0 HB2 ASP A 42 10.935 -9.749 0.492 1.00 0.71 H new ATOM 0 HB3 ASP A 42 10.421 -8.361 1.430 1.00 0.71 H new ATOM 699 N LEU A 43 10.703 -8.323 -2.720 1.00 0.63 N ATOM 700 CA LEU A 43 11.300 -8.857 -3.938 1.00 0.68 C ATOM 701 C LEU A 43 12.736 -9.315 -3.677 1.00 0.81 C ATOM 702 O LEU A 43 13.378 -8.847 -2.736 1.00 0.90 O ATOM 703 CB LEU A 43 11.263 -7.792 -5.036 1.00 0.62 C ATOM 704 CG LEU A 43 9.886 -7.162 -5.258 1.00 0.64 C ATOM 705 CD1 LEU A 43 9.927 -6.141 -6.382 1.00 0.80 C ATOM 706 CD2 LEU A 43 8.851 -8.238 -5.553 1.00 0.70 C ATOM 0 H LEU A 43 10.701 -7.305 -2.664 1.00 0.63 H new ATOM 0 HA LEU A 43 10.726 -9.724 -4.266 1.00 0.68 H new ATOM 0 HB2 LEU A 43 11.974 -7.004 -4.786 1.00 0.62 H new ATOM 0 HB3 LEU A 43 11.600 -8.240 -5.971 1.00 0.62 H new ATOM 0 HG LEU A 43 9.600 -6.644 -4.343 1.00 0.64 H new ATOM 0 HD11 LEU A 43 8.935 -5.709 -6.518 1.00 0.80 H new ATOM 0 HD12 LEU A 43 10.635 -5.351 -6.131 1.00 0.80 H new ATOM 0 HD13 LEU A 43 10.240 -6.629 -7.305 1.00 0.80 H new ATOM 0 HD21 LEU A 43 7.877 -7.773 -5.708 1.00 0.70 H new ATOM 0 HD22 LEU A 43 9.140 -8.784 -6.451 1.00 0.70 H new ATOM 0 HD23 LEU A 43 8.794 -8.928 -4.711 1.00 0.70 H new ATOM 718 N PRO A 44 13.265 -10.249 -4.496 1.00 0.92 N ATOM 719 CA PRO A 44 12.549 -10.841 -5.632 1.00 0.99 C ATOM 720 C PRO A 44 11.688 -12.046 -5.249 1.00 1.15 C ATOM 721 O PRO A 44 11.458 -12.934 -6.069 1.00 1.43 O ATOM 722 CB PRO A 44 13.691 -11.280 -6.540 1.00 1.15 C ATOM 723 CG PRO A 44 14.787 -11.660 -5.602 1.00 1.25 C ATOM 724 CD PRO A 44 14.630 -10.791 -4.378 1.00 1.08 C ATOM 0 HA PRO A 44 11.845 -10.139 -6.079 1.00 0.99 H new ATOM 0 HB2 PRO A 44 13.398 -12.120 -7.169 1.00 1.15 H new ATOM 0 HB3 PRO A 44 14.000 -10.475 -7.207 1.00 1.15 H new ATOM 0 HG2 PRO A 44 14.722 -12.716 -5.338 1.00 1.25 H new ATOM 0 HG3 PRO A 44 15.762 -11.506 -6.064 1.00 1.25 H new ATOM 0 HD2 PRO A 44 14.752 -11.368 -3.461 1.00 1.08 H new ATOM 0 HD3 PRO A 44 15.375 -9.995 -4.356 1.00 1.08 H new ATOM 732 N ASN A 45 11.208 -12.073 -4.010 1.00 1.14 N ATOM 733 CA ASN A 45 10.367 -13.175 -3.545 1.00 1.33 C ATOM 734 C ASN A 45 8.906 -12.743 -3.480 1.00 1.43 C ATOM 735 O ASN A 45 8.150 -12.941 -4.432 1.00 2.42 O ATOM 736 CB ASN A 45 10.829 -13.688 -2.173 1.00 1.66 C ATOM 737 CG ASN A 45 11.515 -12.622 -1.339 1.00 1.93 C ATOM 738 OD1 ASN A 45 10.952 -12.124 -0.363 1.00 2.66 O ATOM 739 ND2 ASN A 45 12.736 -12.269 -1.721 1.00 1.89 N ATOM 0 H ASN A 45 11.384 -11.350 -3.312 1.00 1.14 H new ATOM 0 HA ASN A 45 10.462 -13.991 -4.262 1.00 1.33 H new ATOM 0 HB2 ASN A 45 9.967 -14.070 -1.626 1.00 1.66 H new ATOM 0 HB3 ASN A 45 11.513 -14.525 -2.316 1.00 1.66 H new ATOM 0 HD21 ASN A 45 13.248 -11.558 -1.199 1.00 1.89 H new ATOM 0 HD22 ASN A 45 13.162 -12.709 -2.536 1.00 1.89 H new ATOM 746 N GLY A 46 8.510 -12.147 -2.359 1.00 0.90 N ATOM 747 CA GLY A 46 7.139 -11.695 -2.211 1.00 1.12 C ATOM 748 C GLY A 46 6.398 -12.392 -1.086 1.00 0.76 C ATOM 749 O GLY A 46 6.890 -13.363 -0.511 1.00 0.96 O ATOM 0 H GLY A 46 9.111 -11.970 -1.554 1.00 0.90 H new ATOM 0 HA2 GLY A 46 7.135 -10.620 -2.029 1.00 1.12 H new ATOM 0 HA3 GLY A 46 6.605 -11.861 -3.147 1.00 1.12 H new ATOM 753 N ARG A 47 5.206 -11.888 -0.777 1.00 0.80 N ATOM 754 CA ARG A 47 4.379 -12.453 0.282 1.00 0.76 C ATOM 755 C ARG A 47 3.109 -11.627 0.469 1.00 0.85 C ATOM 756 O ARG A 47 2.039 -12.166 0.752 1.00 1.71 O ATOM 757 CB ARG A 47 5.161 -12.505 1.593 1.00 0.99 C ATOM 758 CG ARG A 47 6.059 -11.298 1.806 1.00 1.31 C ATOM 759 CD ARG A 47 6.208 -10.971 3.281 1.00 1.11 C ATOM 760 NE ARG A 47 7.271 -11.750 3.909 1.00 1.41 N ATOM 761 CZ ARG A 47 7.342 -11.984 5.215 1.00 1.71 C ATOM 762 NH1 ARG A 47 6.416 -11.501 6.033 1.00 2.41 N ATOM 763 NH2 ARG A 47 8.343 -12.704 5.706 1.00 2.03 N ATOM 0 H ARG A 47 4.791 -11.085 -1.249 1.00 0.80 H new ATOM 0 HA ARG A 47 4.099 -13.466 -0.006 1.00 0.76 H new ATOM 0 HB2 ARG A 47 4.459 -12.578 2.424 1.00 0.99 H new ATOM 0 HB3 ARG A 47 5.770 -13.409 1.609 1.00 0.99 H new ATOM 0 HG2 ARG A 47 7.041 -11.492 1.374 1.00 1.31 H new ATOM 0 HG3 ARG A 47 5.645 -10.437 1.281 1.00 1.31 H new ATOM 0 HD2 ARG A 47 6.420 -9.908 3.397 1.00 1.11 H new ATOM 0 HD3 ARG A 47 5.265 -11.165 3.793 1.00 1.11 H new ATOM 0 HE ARG A 47 8.001 -12.137 3.311 1.00 1.41 H new ATOM 0 HH11 ARG A 47 5.645 -10.947 5.660 1.00 2.41 H new ATOM 0 HH12 ARG A 47 6.475 -11.684 7.035 1.00 2.41 H new ATOM 0 HH21 ARG A 47 9.057 -13.077 5.081 1.00 2.03 H new ATOM 0 HH22 ARG A 47 8.398 -12.884 6.708 1.00 2.03 H new ATOM 777 N TRP A 48 3.239 -10.315 0.303 1.00 0.50 N ATOM 778 CA TRP A 48 2.112 -9.405 0.444 1.00 0.43 C ATOM 779 C TRP A 48 1.554 -9.427 1.860 1.00 0.45 C ATOM 780 O TRP A 48 0.560 -10.097 2.141 1.00 0.65 O ATOM 781 CB TRP A 48 1.028 -9.764 -0.564 1.00 0.47 C ATOM 782 CG TRP A 48 1.471 -9.547 -1.973 1.00 0.45 C ATOM 783 CD1 TRP A 48 1.452 -10.456 -2.991 1.00 0.52 C ATOM 784 CD2 TRP A 48 2.018 -8.342 -2.519 1.00 0.39 C ATOM 785 NE1 TRP A 48 1.952 -9.887 -4.137 1.00 0.50 N ATOM 786 CE2 TRP A 48 2.304 -8.592 -3.874 1.00 0.42 C ATOM 787 CE3 TRP A 48 2.291 -7.074 -1.995 1.00 0.36 C ATOM 788 CZ2 TRP A 48 2.850 -7.627 -4.709 1.00 0.41 C ATOM 789 CZ3 TRP A 48 2.834 -6.114 -2.829 1.00 0.36 C ATOM 790 CH2 TRP A 48 3.107 -6.397 -4.173 1.00 0.38 C ATOM 0 H TRP A 48 4.120 -9.858 0.069 1.00 0.50 H new ATOM 0 HA TRP A 48 2.463 -8.392 0.246 1.00 0.43 H new ATOM 0 HB2 TRP A 48 0.743 -10.808 -0.432 1.00 0.47 H new ATOM 0 HB3 TRP A 48 0.140 -9.164 -0.368 1.00 0.47 H new ATOM 0 HD1 TRP A 48 1.096 -11.472 -2.908 1.00 0.52 H new ATOM 0 HE1 TRP A 48 2.046 -10.355 -5.039 1.00 0.50 H new ATOM 0 HE3 TRP A 48 2.082 -6.849 -0.960 1.00 0.36 H new ATOM 0 HZ2 TRP A 48 3.064 -7.841 -5.746 1.00 0.41 H new ATOM 0 HZ3 TRP A 48 3.051 -5.131 -2.438 1.00 0.36 H new ATOM 0 HH2 TRP A 48 3.530 -5.626 -4.800 1.00 0.38 H new ATOM 801 N LEU A 49 2.202 -8.682 2.747 1.00 0.38 N ATOM 802 CA LEU A 49 1.780 -8.602 4.137 1.00 0.42 C ATOM 803 C LEU A 49 1.499 -7.154 4.520 1.00 0.36 C ATOM 804 O LEU A 49 2.329 -6.274 4.297 1.00 0.39 O ATOM 805 CB LEU A 49 2.859 -9.186 5.051 1.00 0.52 C ATOM 806 CG LEU A 49 2.450 -10.448 5.811 1.00 0.67 C ATOM 807 CD1 LEU A 49 1.245 -10.171 6.697 1.00 1.28 C ATOM 808 CD2 LEU A 49 2.154 -11.584 4.842 1.00 0.84 C ATOM 0 H LEU A 49 3.026 -8.123 2.525 1.00 0.38 H new ATOM 0 HA LEU A 49 0.865 -9.182 4.257 1.00 0.42 H new ATOM 0 HB2 LEU A 49 3.740 -9.412 4.450 1.00 0.52 H new ATOM 0 HB3 LEU A 49 3.153 -8.424 5.773 1.00 0.52 H new ATOM 0 HG LEU A 49 3.281 -10.750 6.448 1.00 0.67 H new ATOM 0 HD11 LEU A 49 0.968 -11.081 7.230 1.00 1.28 H new ATOM 0 HD12 LEU A 49 1.494 -9.391 7.416 1.00 1.28 H new ATOM 0 HD13 LEU A 49 0.408 -9.843 6.081 1.00 1.28 H new ATOM 0 HD21 LEU A 49 1.865 -12.474 5.402 1.00 0.84 H new ATOM 0 HD22 LEU A 49 1.340 -11.293 4.178 1.00 0.84 H new ATOM 0 HD23 LEU A 49 3.045 -11.800 4.252 1.00 0.84 H new ATOM 820 N LYS A 50 0.325 -6.912 5.094 1.00 0.40 N ATOM 821 CA LYS A 50 -0.063 -5.568 5.505 1.00 0.40 C ATOM 822 C LYS A 50 0.984 -4.964 6.439 1.00 0.47 C ATOM 823 O LYS A 50 0.877 -5.074 7.660 1.00 0.85 O ATOM 824 CB LYS A 50 -1.426 -5.598 6.197 1.00 0.59 C ATOM 825 CG LYS A 50 -1.470 -6.508 7.412 1.00 0.72 C ATOM 826 CD LYS A 50 -2.026 -5.783 8.626 1.00 1.03 C ATOM 827 CE LYS A 50 -3.529 -5.584 8.522 1.00 0.86 C ATOM 828 NZ LYS A 50 -4.223 -5.928 9.795 1.00 1.30 N ATOM 0 H LYS A 50 -0.374 -7.630 5.285 1.00 0.40 H new ATOM 0 HA LYS A 50 -0.131 -4.945 4.613 1.00 0.40 H new ATOM 0 HB2 LYS A 50 -1.692 -4.586 6.502 1.00 0.59 H new ATOM 0 HB3 LYS A 50 -2.181 -5.924 5.481 1.00 0.59 H new ATOM 0 HG2 LYS A 50 -2.086 -7.380 7.193 1.00 0.72 H new ATOM 0 HG3 LYS A 50 -0.467 -6.873 7.632 1.00 0.72 H new ATOM 0 HD2 LYS A 50 -1.796 -6.352 9.527 1.00 1.03 H new ATOM 0 HD3 LYS A 50 -1.537 -4.814 8.727 1.00 1.03 H new ATOM 0 HE2 LYS A 50 -3.741 -4.547 8.261 1.00 0.86 H new ATOM 0 HE3 LYS A 50 -3.922 -6.202 7.715 1.00 0.86 H new ATOM 0 HZ1 LYS A 50 -5.246 -5.779 9.684 1.00 1.30 H new ATOM 0 HZ2 LYS A 50 -4.042 -6.925 10.031 1.00 1.30 H new ATOM 0 HZ3 LYS A 50 -3.866 -5.321 10.560 1.00 1.30 H new ATOM 842 N ALA A 51 1.996 -4.330 5.853 1.00 0.45 N ATOM 843 CA ALA A 51 3.065 -3.710 6.627 1.00 0.63 C ATOM 844 C ALA A 51 2.504 -2.790 7.704 1.00 0.55 C ATOM 845 O ALA A 51 2.918 -2.845 8.862 1.00 0.72 O ATOM 846 CB ALA A 51 3.999 -2.936 5.708 1.00 0.86 C ATOM 0 H ALA A 51 2.097 -4.233 4.843 1.00 0.45 H new ATOM 0 HA ALA A 51 3.627 -4.503 7.120 1.00 0.63 H new ATOM 0 HB1 ALA A 51 4.793 -2.478 6.298 1.00 0.86 H new ATOM 0 HB2 ALA A 51 4.437 -3.616 4.977 1.00 0.86 H new ATOM 0 HB3 ALA A 51 3.438 -2.159 5.190 1.00 0.86 H new ATOM 852 N ASN A 52 1.558 -1.941 7.311 1.00 0.42 N ATOM 853 CA ASN A 52 0.929 -1.000 8.237 1.00 0.43 C ATOM 854 C ASN A 52 0.565 -1.690 9.559 1.00 0.59 C ATOM 855 O ASN A 52 1.283 -1.557 10.550 1.00 1.60 O ATOM 856 CB ASN A 52 -0.303 -0.368 7.565 1.00 0.38 C ATOM 857 CG ASN A 52 -1.330 0.186 8.537 1.00 0.96 C ATOM 858 OD1 ASN A 52 -1.047 1.102 9.308 1.00 2.01 O ATOM 859 ND2 ASN A 52 -2.534 -0.376 8.499 1.00 0.62 N ATOM 0 H ASN A 52 1.208 -1.885 6.354 1.00 0.42 H new ATOM 0 HA ASN A 52 1.636 -0.206 8.480 1.00 0.43 H new ATOM 0 HB2 ASN A 52 0.029 0.436 6.908 1.00 0.38 H new ATOM 0 HB3 ASN A 52 -0.783 -1.117 6.935 1.00 0.38 H new ATOM 0 HD21 ASN A 52 -3.269 -0.050 9.126 1.00 0.62 H new ATOM 0 HD22 ASN A 52 -2.723 -1.133 7.842 1.00 0.62 H new ATOM 866 N PHE A 53 -0.549 -2.429 9.561 1.00 0.81 N ATOM 867 CA PHE A 53 -1.013 -3.152 10.755 1.00 0.82 C ATOM 868 C PHE A 53 -1.835 -2.261 11.686 1.00 0.84 C ATOM 869 O PHE A 53 -2.866 -2.689 12.208 1.00 1.20 O ATOM 870 CB PHE A 53 0.166 -3.758 11.527 1.00 0.96 C ATOM 871 CG PHE A 53 -0.049 -5.188 11.932 1.00 1.15 C ATOM 872 CD1 PHE A 53 -1.321 -5.660 12.213 1.00 1.32 C ATOM 873 CD2 PHE A 53 1.023 -6.060 12.033 1.00 1.68 C ATOM 874 CE1 PHE A 53 -1.521 -6.974 12.585 1.00 1.66 C ATOM 875 CE2 PHE A 53 0.830 -7.375 12.405 1.00 2.08 C ATOM 876 CZ PHE A 53 -0.443 -7.834 12.681 1.00 1.96 C ATOM 0 H PHE A 53 -1.151 -2.544 8.745 1.00 0.81 H new ATOM 0 HA PHE A 53 -1.659 -3.955 10.400 1.00 0.82 H new ATOM 0 HB2 PHE A 53 1.063 -3.695 10.911 1.00 0.96 H new ATOM 0 HB3 PHE A 53 0.350 -3.160 12.420 1.00 0.96 H new ATOM 0 HD1 PHE A 53 -2.166 -4.992 12.140 1.00 1.32 H new ATOM 0 HD2 PHE A 53 2.021 -5.707 11.818 1.00 1.68 H new ATOM 0 HE1 PHE A 53 -2.518 -7.330 12.801 1.00 1.66 H new ATOM 0 HE2 PHE A 53 1.674 -8.045 12.480 1.00 2.08 H new ATOM 0 HZ PHE A 53 -0.596 -8.863 12.971 1.00 1.96 H new ATOM 886 N SER A 54 -1.380 -1.031 11.903 1.00 0.79 N ATOM 887 CA SER A 54 -2.087 -0.106 12.784 1.00 0.89 C ATOM 888 C SER A 54 -3.438 0.295 12.197 1.00 0.95 C ATOM 889 O SER A 54 -4.462 -0.318 12.501 1.00 1.89 O ATOM 890 CB SER A 54 -1.235 1.138 13.048 1.00 1.00 C ATOM 891 OG SER A 54 -0.208 0.864 13.984 1.00 1.71 O ATOM 0 H SER A 54 -0.530 -0.653 11.484 1.00 0.79 H new ATOM 0 HA SER A 54 -2.268 -0.618 13.729 1.00 0.89 H new ATOM 0 HB2 SER A 54 -0.796 1.487 12.113 1.00 1.00 H new ATOM 0 HB3 SER A 54 -1.867 1.943 13.423 1.00 1.00 H new ATOM 0 HG SER A 54 0.323 1.674 14.134 1.00 1.71 H new ATOM 897 N ASN A 55 -3.437 1.327 11.356 1.00 0.75 N ATOM 898 CA ASN A 55 -4.667 1.803 10.734 1.00 0.69 C ATOM 899 C ASN A 55 -4.366 2.864 9.682 1.00 0.66 C ATOM 900 O ASN A 55 -3.502 3.719 9.877 1.00 1.05 O ATOM 901 CB ASN A 55 -5.612 2.377 11.792 1.00 0.84 C ATOM 902 CG ASN A 55 -7.062 2.024 11.525 1.00 1.11 C ATOM 903 OD1 ASN A 55 -7.707 1.352 12.331 1.00 1.87 O ATOM 904 ND2 ASN A 55 -7.582 2.474 10.389 1.00 0.83 N ATOM 0 H ASN A 55 -2.600 1.847 11.091 1.00 0.75 H new ATOM 0 HA ASN A 55 -5.149 0.955 10.247 1.00 0.69 H new ATOM 0 HB2 ASN A 55 -5.324 2.001 12.774 1.00 0.84 H new ATOM 0 HB3 ASN A 55 -5.504 3.461 11.821 1.00 0.84 H new ATOM 0 HD21 ASN A 55 -8.553 2.266 10.155 1.00 0.83 H new ATOM 0 HD22 ASN A 55 -7.011 3.027 9.751 1.00 0.83 H new ATOM 911 N ILE A 56 -5.086 2.804 8.568 1.00 0.40 N ATOM 912 CA ILE A 56 -4.896 3.759 7.485 1.00 0.33 C ATOM 913 C ILE A 56 -6.228 4.353 7.041 1.00 0.31 C ATOM 914 O ILE A 56 -6.689 4.103 5.927 1.00 0.53 O ATOM 915 CB ILE A 56 -4.205 3.107 6.273 1.00 0.32 C ATOM 916 CG1 ILE A 56 -2.921 2.404 6.713 1.00 0.43 C ATOM 917 CG2 ILE A 56 -3.905 4.148 5.203 1.00 0.28 C ATOM 918 CD1 ILE A 56 -2.211 1.679 5.590 1.00 0.69 C ATOM 0 H ILE A 56 -5.806 2.104 8.392 1.00 0.40 H new ATOM 0 HA ILE A 56 -4.256 4.553 7.870 1.00 0.33 H new ATOM 0 HB ILE A 56 -4.880 2.365 5.846 1.00 0.32 H new ATOM 0 HG12 ILE A 56 -2.243 3.141 7.144 1.00 0.43 H new ATOM 0 HG13 ILE A 56 -3.160 1.690 7.501 1.00 0.43 H new ATOM 0 HG21 ILE A 56 -3.417 3.668 4.355 1.00 0.28 H new ATOM 0 HG22 ILE A 56 -4.836 4.609 4.873 1.00 0.28 H new ATOM 0 HG23 ILE A 56 -3.247 4.914 5.614 1.00 0.28 H new ATOM 0 HD11 ILE A 56 -1.309 1.204 5.976 1.00 0.69 H new ATOM 0 HD12 ILE A 56 -2.871 0.919 5.173 1.00 0.69 H new ATOM 0 HD13 ILE A 56 -1.941 2.391 4.811 1.00 0.69 H new ATOM 930 N LEU A 57 -6.841 5.143 7.920 1.00 0.44 N ATOM 931 CA LEU A 57 -8.123 5.778 7.621 1.00 0.45 C ATOM 932 C LEU A 57 -8.097 6.424 6.239 1.00 0.42 C ATOM 933 O LEU A 57 -8.813 6.002 5.331 1.00 0.60 O ATOM 934 CB LEU A 57 -8.457 6.829 8.683 1.00 0.48 C ATOM 935 CG LEU A 57 -9.785 6.613 9.411 1.00 0.85 C ATOM 936 CD1 LEU A 57 -10.887 6.261 8.422 1.00 0.72 C ATOM 937 CD2 LEU A 57 -9.641 5.526 10.464 1.00 1.60 C ATOM 0 H LEU A 57 -6.471 5.359 8.846 1.00 0.44 H new ATOM 0 HA LEU A 57 -8.894 5.008 7.630 1.00 0.45 H new ATOM 0 HB2 LEU A 57 -7.654 6.847 9.420 1.00 0.48 H new ATOM 0 HB3 LEU A 57 -8.475 7.810 8.208 1.00 0.48 H new ATOM 0 HG LEU A 57 -10.060 7.542 9.911 1.00 0.85 H new ATOM 0 HD11 LEU A 57 -11.824 6.111 8.959 1.00 0.72 H new ATOM 0 HD12 LEU A 57 -11.006 7.073 7.705 1.00 0.72 H new ATOM 0 HD13 LEU A 57 -10.622 5.346 7.893 1.00 0.72 H new ATOM 0 HD21 LEU A 57 -10.594 5.384 10.973 1.00 1.60 H new ATOM 0 HD22 LEU A 57 -9.343 4.593 9.986 1.00 1.60 H new ATOM 0 HD23 LEU A 57 -8.883 5.820 11.189 1.00 1.60 H new ATOM 949 N GLU A 58 -7.260 7.444 6.089 1.00 0.39 N ATOM 950 CA GLU A 58 -7.132 8.141 4.820 1.00 0.43 C ATOM 951 C GLU A 58 -6.353 7.286 3.829 1.00 0.51 C ATOM 952 O GLU A 58 -5.920 6.182 4.157 1.00 1.09 O ATOM 953 CB GLU A 58 -6.428 9.485 5.020 1.00 0.44 C ATOM 954 CG GLU A 58 -5.057 9.365 5.664 1.00 0.44 C ATOM 955 CD GLU A 58 -4.870 10.326 6.822 1.00 0.75 C ATOM 956 OE1 GLU A 58 -5.309 9.996 7.944 1.00 1.54 O ATOM 957 OE2 GLU A 58 -4.283 11.407 6.607 1.00 1.29 O ATOM 0 H GLU A 58 -6.661 7.805 6.832 1.00 0.39 H new ATOM 0 HA GLU A 58 -8.130 8.325 4.421 1.00 0.43 H new ATOM 0 HB2 GLU A 58 -6.324 9.978 4.054 1.00 0.44 H new ATOM 0 HB3 GLU A 58 -7.056 10.126 5.639 1.00 0.44 H new ATOM 0 HG2 GLU A 58 -4.914 8.344 6.017 1.00 0.44 H new ATOM 0 HG3 GLU A 58 -4.289 9.553 4.913 1.00 0.44 H new ATOM 964 N ASN A 59 -6.176 7.800 2.620 1.00 0.31 N ATOM 965 CA ASN A 59 -5.446 7.076 1.588 1.00 0.28 C ATOM 966 C ASN A 59 -3.970 7.471 1.568 1.00 0.28 C ATOM 967 O ASN A 59 -3.247 7.149 0.625 1.00 0.49 O ATOM 968 CB ASN A 59 -6.073 7.327 0.217 1.00 0.32 C ATOM 969 CG ASN A 59 -6.335 8.799 -0.041 1.00 0.86 C ATOM 970 OD1 ASN A 59 -7.253 9.387 0.530 1.00 1.75 O ATOM 971 ND2 ASN A 59 -5.528 9.404 -0.906 1.00 0.91 N ATOM 0 H ASN A 59 -6.527 8.713 2.330 1.00 0.31 H new ATOM 0 HA ASN A 59 -5.509 6.013 1.821 1.00 0.28 H new ATOM 0 HB2 ASN A 59 -5.413 6.938 -0.558 1.00 0.32 H new ATOM 0 HB3 ASN A 59 -7.011 6.776 0.143 1.00 0.32 H new ATOM 0 HD21 ASN A 59 -5.658 10.393 -1.119 1.00 0.91 H new ATOM 0 HD22 ASN A 59 -4.779 8.879 -1.357 1.00 0.91 H new ATOM 978 N GLU A 60 -3.523 8.163 2.615 1.00 0.29 N ATOM 979 CA GLU A 60 -2.133 8.590 2.713 1.00 0.29 C ATOM 980 C GLU A 60 -1.474 7.944 3.926 1.00 0.27 C ATOM 981 O GLU A 60 -1.735 8.333 5.063 1.00 0.35 O ATOM 982 CB GLU A 60 -2.047 10.114 2.819 1.00 0.34 C ATOM 983 CG GLU A 60 -0.669 10.668 2.497 1.00 0.49 C ATOM 984 CD GLU A 60 -0.340 10.596 1.020 1.00 1.26 C ATOM 985 OE1 GLU A 60 -1.196 10.994 0.201 1.00 1.91 O ATOM 986 OE2 GLU A 60 0.773 10.142 0.681 1.00 2.05 O ATOM 0 H GLU A 60 -4.105 8.439 3.406 1.00 0.29 H new ATOM 0 HA GLU A 60 -1.608 8.275 1.812 1.00 0.29 H new ATOM 0 HB2 GLU A 60 -2.776 10.559 2.142 1.00 0.34 H new ATOM 0 HB3 GLU A 60 -2.324 10.416 3.829 1.00 0.34 H new ATOM 0 HG2 GLU A 60 -0.613 11.705 2.827 1.00 0.49 H new ATOM 0 HG3 GLU A 60 0.082 10.113 3.060 1.00 0.49 H new ATOM 993 N PHE A 61 -0.626 6.950 3.681 1.00 0.24 N ATOM 994 CA PHE A 61 0.053 6.254 4.768 1.00 0.24 C ATOM 995 C PHE A 61 1.520 6.007 4.432 1.00 0.24 C ATOM 996 O PHE A 61 1.937 6.139 3.282 1.00 0.25 O ATOM 997 CB PHE A 61 -0.661 4.929 5.072 1.00 0.28 C ATOM 998 CG PHE A 61 0.114 4.004 5.971 1.00 0.33 C ATOM 999 CD1 PHE A 61 -0.030 4.076 7.347 1.00 0.41 C ATOM 1000 CD2 PHE A 61 0.982 3.064 5.440 1.00 0.37 C ATOM 1001 CE1 PHE A 61 0.675 3.228 8.175 1.00 0.48 C ATOM 1002 CE2 PHE A 61 1.692 2.213 6.265 1.00 0.44 C ATOM 1003 CZ PHE A 61 1.550 2.299 7.628 1.00 0.48 C ATOM 0 H PHE A 61 -0.394 6.611 2.748 1.00 0.24 H new ATOM 0 HA PHE A 61 0.017 6.887 5.655 1.00 0.24 H new ATOM 0 HB2 PHE A 61 -1.624 5.146 5.535 1.00 0.28 H new ATOM 0 HB3 PHE A 61 -0.867 4.416 4.133 1.00 0.28 H new ATOM 0 HD1 PHE A 61 -0.702 4.804 7.776 1.00 0.41 H new ATOM 0 HD2 PHE A 61 1.105 2.996 4.369 1.00 0.37 H new ATOM 0 HE1 PHE A 61 0.547 3.286 9.246 1.00 0.48 H new ATOM 0 HE2 PHE A 61 2.359 1.479 5.837 1.00 0.44 H new ATOM 0 HZ PHE A 61 2.118 1.645 8.273 1.00 0.48 H new ATOM 1013 N THR A 62 2.297 5.646 5.450 1.00 0.25 N ATOM 1014 CA THR A 62 3.714 5.382 5.270 1.00 0.27 C ATOM 1015 C THR A 62 4.078 3.974 5.722 1.00 0.29 C ATOM 1016 O THR A 62 3.888 3.611 6.884 1.00 0.35 O ATOM 1017 CB THR A 62 4.554 6.408 6.033 1.00 0.33 C ATOM 1018 OG1 THR A 62 4.305 7.717 5.553 1.00 0.42 O ATOM 1019 CG2 THR A 62 6.043 6.157 5.931 1.00 0.37 C ATOM 0 H THR A 62 1.965 5.531 6.407 1.00 0.25 H new ATOM 0 HA THR A 62 3.931 5.466 4.205 1.00 0.27 H new ATOM 0 HB THR A 62 4.255 6.307 7.076 1.00 0.33 H new ATOM 0 HG1 THR A 62 5.061 8.014 5.004 1.00 0.42 H new ATOM 0 HG21 THR A 62 6.580 6.920 6.494 1.00 0.37 H new ATOM 0 HG22 THR A 62 6.275 5.174 6.340 1.00 0.37 H new ATOM 0 HG23 THR A 62 6.348 6.196 4.885 1.00 0.37 H new ATOM 1027 N VAL A 63 4.608 3.185 4.792 1.00 0.31 N ATOM 1028 CA VAL A 63 5.006 1.816 5.082 1.00 0.36 C ATOM 1029 C VAL A 63 6.394 1.771 5.704 1.00 0.38 C ATOM 1030 O VAL A 63 7.395 1.598 5.011 1.00 0.50 O ATOM 1031 CB VAL A 63 4.993 0.950 3.813 1.00 0.44 C ATOM 1032 CG1 VAL A 63 5.062 -0.526 4.172 1.00 1.08 C ATOM 1033 CG2 VAL A 63 3.752 1.249 2.993 1.00 0.58 C ATOM 0 H VAL A 63 4.771 3.474 3.828 1.00 0.31 H new ATOM 0 HA VAL A 63 4.281 1.416 5.791 1.00 0.36 H new ATOM 0 HB VAL A 63 5.871 1.191 3.214 1.00 0.44 H new ATOM 0 HG11 VAL A 63 5.052 -1.123 3.260 1.00 1.08 H new ATOM 0 HG12 VAL A 63 5.980 -0.723 4.725 1.00 1.08 H new ATOM 0 HG13 VAL A 63 4.203 -0.791 4.789 1.00 1.08 H new ATOM 0 HG21 VAL A 63 3.751 0.631 2.095 1.00 0.58 H new ATOM 0 HG22 VAL A 63 2.863 1.030 3.585 1.00 0.58 H new ATOM 0 HG23 VAL A 63 3.749 2.301 2.709 1.00 0.58 H new ATOM 1043 N SER A 64 6.438 1.929 7.020 1.00 0.49 N ATOM 1044 CA SER A 64 7.699 1.910 7.753 1.00 0.55 C ATOM 1045 C SER A 64 8.079 0.482 8.132 1.00 0.63 C ATOM 1046 O SER A 64 7.467 -0.478 7.664 1.00 0.99 O ATOM 1047 CB SER A 64 7.597 2.775 9.010 1.00 0.63 C ATOM 1048 OG SER A 64 8.881 3.116 9.501 1.00 1.33 O ATOM 0 H SER A 64 5.614 2.072 7.604 1.00 0.49 H new ATOM 0 HA SER A 64 8.476 2.317 7.106 1.00 0.55 H new ATOM 0 HB2 SER A 64 7.037 3.683 8.786 1.00 0.63 H new ATOM 0 HB3 SER A 64 7.041 2.240 9.779 1.00 0.63 H new ATOM 0 HG SER A 64 8.788 3.670 10.304 1.00 1.33 H new ATOM 1054 N GLY A 65 9.093 0.350 8.980 1.00 0.71 N ATOM 1055 CA GLY A 65 9.535 -0.966 9.405 1.00 0.78 C ATOM 1056 C GLY A 65 9.904 -1.857 8.236 1.00 0.72 C ATOM 1057 O GLY A 65 9.852 -3.082 8.340 1.00 0.90 O ATOM 0 H GLY A 65 9.616 1.129 9.380 1.00 0.71 H new ATOM 0 HA2 GLY A 65 10.396 -0.861 10.065 1.00 0.78 H new ATOM 0 HA3 GLY A 65 8.745 -1.442 9.986 1.00 0.78 H new ATOM 1061 N LEU A 66 10.277 -1.240 7.119 1.00 0.64 N ATOM 1062 CA LEU A 66 10.656 -1.984 5.923 1.00 0.65 C ATOM 1063 C LEU A 66 12.067 -2.545 6.050 1.00 0.59 C ATOM 1064 O LEU A 66 12.725 -2.377 7.078 1.00 0.65 O ATOM 1065 CB LEU A 66 10.568 -1.085 4.689 1.00 0.74 C ATOM 1066 CG LEU A 66 9.148 -0.725 4.251 1.00 0.89 C ATOM 1067 CD1 LEU A 66 9.167 0.490 3.337 1.00 0.89 C ATOM 1068 CD2 LEU A 66 8.486 -1.908 3.559 1.00 1.47 C ATOM 0 H LEU A 66 10.325 -0.226 7.017 1.00 0.64 H new ATOM 0 HA LEU A 66 9.961 -2.817 5.813 1.00 0.65 H new ATOM 0 HB2 LEU A 66 11.115 -0.164 4.890 1.00 0.74 H new ATOM 0 HB3 LEU A 66 11.073 -1.581 3.860 1.00 0.74 H new ATOM 0 HG LEU A 66 8.564 -0.479 5.138 1.00 0.89 H new ATOM 0 HD11 LEU A 66 8.149 0.733 3.034 1.00 0.89 H new ATOM 0 HD12 LEU A 66 9.600 1.338 3.868 1.00 0.89 H new ATOM 0 HD13 LEU A 66 9.766 0.271 2.453 1.00 0.89 H new ATOM 0 HD21 LEU A 66 7.476 -1.633 3.254 1.00 1.47 H new ATOM 0 HD22 LEU A 66 9.067 -2.187 2.680 1.00 1.47 H new ATOM 0 HD23 LEU A 66 8.440 -2.753 4.246 1.00 1.47 H new ATOM 1080 N THR A 67 12.528 -3.208 4.996 1.00 0.65 N ATOM 1081 CA THR A 67 13.864 -3.793 4.982 1.00 0.69 C ATOM 1082 C THR A 67 14.746 -3.085 3.960 1.00 0.72 C ATOM 1083 O THR A 67 14.327 -2.837 2.828 1.00 1.06 O ATOM 1084 CB THR A 67 13.791 -5.287 4.666 1.00 0.75 C ATOM 1085 OG1 THR A 67 12.527 -5.815 5.027 1.00 0.96 O ATOM 1086 CG2 THR A 67 14.849 -6.100 5.381 1.00 0.99 C ATOM 0 H THR A 67 11.996 -3.354 4.138 1.00 0.65 H new ATOM 0 HA THR A 67 14.303 -3.666 5.971 1.00 0.69 H new ATOM 0 HB THR A 67 13.959 -5.365 3.592 1.00 0.75 H new ATOM 0 HG1 THR A 67 12.071 -6.149 4.226 1.00 0.96 H new ATOM 0 HG21 THR A 67 14.742 -7.151 5.114 1.00 0.99 H new ATOM 0 HG22 THR A 67 15.838 -5.749 5.086 1.00 0.99 H new ATOM 0 HG23 THR A 67 14.730 -5.985 6.458 1.00 0.99 H new ATOM 1094 N GLU A 68 15.966 -2.757 4.367 1.00 0.66 N ATOM 1095 CA GLU A 68 16.905 -2.072 3.489 1.00 0.67 C ATOM 1096 C GLU A 68 17.586 -3.050 2.539 1.00 0.60 C ATOM 1097 O GLU A 68 17.749 -4.229 2.853 1.00 0.69 O ATOM 1098 CB GLU A 68 17.956 -1.333 4.318 1.00 0.76 C ATOM 1099 CG GLU A 68 18.260 0.064 3.806 1.00 0.96 C ATOM 1100 CD GLU A 68 19.712 0.454 4.004 1.00 1.32 C ATOM 1101 OE1 GLU A 68 20.545 0.098 3.144 1.00 1.89 O ATOM 1102 OE2 GLU A 68 20.016 1.117 5.018 1.00 1.91 O ATOM 0 H GLU A 68 16.328 -2.955 5.300 1.00 0.66 H new ATOM 0 HA GLU A 68 16.345 -1.352 2.892 1.00 0.67 H new ATOM 0 HB2 GLU A 68 17.612 -1.266 5.350 1.00 0.76 H new ATOM 0 HB3 GLU A 68 18.877 -1.917 4.326 1.00 0.76 H new ATOM 0 HG2 GLU A 68 18.014 0.120 2.746 1.00 0.96 H new ATOM 0 HG3 GLU A 68 17.621 0.782 4.320 1.00 0.96 H new ATOM 1109 N ASP A 69 17.985 -2.548 1.375 1.00 0.52 N ATOM 1110 CA ASP A 69 18.653 -3.371 0.375 1.00 0.49 C ATOM 1111 C ASP A 69 17.705 -4.426 -0.186 1.00 0.44 C ATOM 1112 O ASP A 69 17.952 -5.625 -0.060 1.00 0.54 O ATOM 1113 CB ASP A 69 19.883 -4.046 0.982 1.00 0.59 C ATOM 1114 CG ASP A 69 21.049 -4.103 0.016 1.00 1.06 C ATOM 1115 OD1 ASP A 69 20.981 -4.893 -0.950 1.00 1.66 O ATOM 1116 OD2 ASP A 69 22.030 -3.359 0.224 1.00 1.87 O ATOM 0 H ASP A 69 17.857 -1.574 1.101 1.00 0.52 H new ATOM 0 HA ASP A 69 18.967 -2.722 -0.442 1.00 0.49 H new ATOM 0 HB2 ASP A 69 20.185 -3.505 1.879 1.00 0.59 H new ATOM 0 HB3 ASP A 69 19.622 -5.058 1.292 1.00 0.59 H new ATOM 1121 N ALA A 70 16.620 -3.973 -0.804 1.00 0.40 N ATOM 1122 CA ALA A 70 15.636 -4.881 -1.383 1.00 0.40 C ATOM 1123 C ALA A 70 14.468 -4.118 -1.991 1.00 0.35 C ATOM 1124 O ALA A 70 13.887 -3.241 -1.352 1.00 0.36 O ATOM 1125 CB ALA A 70 15.128 -5.844 -0.324 1.00 0.49 C ATOM 0 H ALA A 70 16.399 -2.984 -0.917 1.00 0.40 H new ATOM 0 HA ALA A 70 16.126 -5.442 -2.179 1.00 0.40 H new ATOM 0 HB1 ALA A 70 14.394 -6.517 -0.767 1.00 0.49 H new ATOM 0 HB2 ALA A 70 15.962 -6.425 0.070 1.00 0.49 H new ATOM 0 HB3 ALA A 70 14.663 -5.282 0.486 1.00 0.49 H new ATOM 1131 N ALA A 71 14.118 -4.462 -3.227 1.00 0.33 N ATOM 1132 CA ALA A 71 13.008 -3.810 -3.907 1.00 0.30 C ATOM 1133 C ALA A 71 11.685 -4.247 -3.292 1.00 0.27 C ATOM 1134 O ALA A 71 11.432 -5.440 -3.132 1.00 0.36 O ATOM 1135 CB ALA A 71 13.043 -4.112 -5.395 1.00 0.34 C ATOM 0 H ALA A 71 14.585 -5.185 -3.774 1.00 0.33 H new ATOM 0 HA ALA A 71 13.104 -2.732 -3.781 1.00 0.30 H new ATOM 0 HB1 ALA A 71 12.206 -3.616 -5.887 1.00 0.34 H new ATOM 0 HB2 ALA A 71 13.979 -3.748 -5.818 1.00 0.34 H new ATOM 0 HB3 ALA A 71 12.969 -5.188 -5.550 1.00 0.34 H new ATOM 1141 N TYR A 72 10.851 -3.278 -2.931 1.00 0.24 N ATOM 1142 CA TYR A 72 9.568 -3.584 -2.311 1.00 0.24 C ATOM 1143 C TYR A 72 8.388 -2.974 -3.060 1.00 0.21 C ATOM 1144 O TYR A 72 8.329 -1.761 -3.269 1.00 0.23 O ATOM 1145 CB TYR A 72 9.563 -3.083 -0.870 1.00 0.30 C ATOM 1146 CG TYR A 72 10.284 -4.001 0.086 1.00 0.31 C ATOM 1147 CD1 TYR A 72 9.629 -5.077 0.670 1.00 0.49 C ATOM 1148 CD2 TYR A 72 11.620 -3.793 0.405 1.00 0.36 C ATOM 1149 CE1 TYR A 72 10.284 -5.920 1.544 1.00 0.56 C ATOM 1150 CE2 TYR A 72 12.282 -4.633 1.279 1.00 0.42 C ATOM 1151 CZ TYR A 72 11.610 -5.695 1.846 1.00 0.46 C ATOM 1152 OH TYR A 72 12.266 -6.534 2.715 1.00 0.56 O ATOM 0 H TYR A 72 11.038 -2.283 -3.056 1.00 0.24 H new ATOM 0 HA TYR A 72 9.449 -4.667 -2.343 1.00 0.24 H new ATOM 0 HB2 TYR A 72 10.026 -2.097 -0.834 1.00 0.30 H new ATOM 0 HB3 TYR A 72 8.532 -2.963 -0.539 1.00 0.30 H new ATOM 0 HD1 TYR A 72 8.590 -5.257 0.436 1.00 0.49 H new ATOM 0 HD2 TYR A 72 12.149 -2.962 -0.037 1.00 0.36 H new ATOM 0 HE1 TYR A 72 9.760 -6.753 1.990 1.00 0.56 H new ATOM 0 HE2 TYR A 72 13.321 -4.459 1.517 1.00 0.42 H new ATOM 0 HH TYR A 72 13.026 -6.950 2.257 1.00 0.56 H new ATOM 1162 N GLU A 73 7.437 -3.828 -3.434 1.00 0.21 N ATOM 1163 CA GLU A 73 6.232 -3.387 -4.129 1.00 0.21 C ATOM 1164 C GLU A 73 5.093 -3.295 -3.125 1.00 0.23 C ATOM 1165 O GLU A 73 4.993 -4.131 -2.228 1.00 0.32 O ATOM 1166 CB GLU A 73 5.862 -4.355 -5.254 1.00 0.25 C ATOM 1167 CG GLU A 73 6.535 -4.039 -6.577 1.00 0.65 C ATOM 1168 CD GLU A 73 6.720 -5.269 -7.443 1.00 0.68 C ATOM 1169 OE1 GLU A 73 6.512 -6.391 -6.934 1.00 1.50 O ATOM 1170 OE2 GLU A 73 7.074 -5.111 -8.631 1.00 1.32 O ATOM 0 H GLU A 73 7.479 -4.833 -3.266 1.00 0.21 H new ATOM 0 HA GLU A 73 6.416 -2.410 -4.577 1.00 0.21 H new ATOM 0 HB2 GLU A 73 6.130 -5.368 -4.953 1.00 0.25 H new ATOM 0 HB3 GLU A 73 4.781 -4.340 -5.394 1.00 0.25 H new ATOM 0 HG2 GLU A 73 5.939 -3.304 -7.118 1.00 0.65 H new ATOM 0 HG3 GLU A 73 7.507 -3.583 -6.387 1.00 0.65 H new ATOM 1177 N PHE A 74 4.245 -2.281 -3.248 1.00 0.22 N ATOM 1178 CA PHE A 74 3.141 -2.138 -2.276 1.00 0.28 C ATOM 1179 C PHE A 74 1.767 -1.919 -2.910 1.00 0.25 C ATOM 1180 O PHE A 74 1.541 -0.938 -3.615 1.00 0.30 O ATOM 1181 CB PHE A 74 3.425 -0.995 -1.297 1.00 0.39 C ATOM 1182 CG PHE A 74 4.882 -0.688 -1.118 1.00 0.36 C ATOM 1183 CD1 PHE A 74 5.558 0.112 -2.025 1.00 0.52 C ATOM 1184 CD2 PHE A 74 5.571 -1.201 -0.037 1.00 0.42 C ATOM 1185 CE1 PHE A 74 6.900 0.390 -1.853 1.00 0.60 C ATOM 1186 CE2 PHE A 74 6.909 -0.926 0.140 1.00 0.49 C ATOM 1187 CZ PHE A 74 7.577 -0.109 -0.805 1.00 0.53 C ATOM 0 H PHE A 74 4.285 -1.567 -3.975 1.00 0.22 H new ATOM 0 HA PHE A 74 3.100 -3.094 -1.754 1.00 0.28 H new ATOM 0 HB2 PHE A 74 2.916 -0.097 -1.647 1.00 0.39 H new ATOM 0 HB3 PHE A 74 2.996 -1.247 -0.327 1.00 0.39 H new ATOM 0 HD1 PHE A 74 5.031 0.522 -2.874 1.00 0.52 H new ATOM 0 HD2 PHE A 74 5.055 -1.825 0.678 1.00 0.42 H new ATOM 0 HE1 PHE A 74 7.411 1.016 -2.569 1.00 0.60 H new ATOM 0 HE2 PHE A 74 7.442 -1.328 0.989 1.00 0.49 H new ATOM 0 HZ PHE A 74 8.627 0.112 -0.684 1.00 0.53 H new ATOM 1197 N ARG A 75 0.839 -2.832 -2.613 1.00 0.27 N ATOM 1198 CA ARG A 75 -0.534 -2.744 -3.116 1.00 0.34 C ATOM 1199 C ARG A 75 -1.467 -2.306 -1.994 1.00 0.31 C ATOM 1200 O ARG A 75 -1.061 -2.265 -0.834 1.00 0.45 O ATOM 1201 CB ARG A 75 -0.995 -4.093 -3.667 1.00 0.46 C ATOM 1202 CG ARG A 75 -0.489 -5.280 -2.867 1.00 0.94 C ATOM 1203 CD ARG A 75 -1.331 -6.518 -3.120 1.00 1.08 C ATOM 1204 NE ARG A 75 -0.685 -7.445 -4.043 1.00 0.87 N ATOM 1205 CZ ARG A 75 -1.106 -8.688 -4.253 1.00 1.39 C ATOM 1206 NH1 ARG A 75 -2.169 -9.148 -3.605 1.00 2.11 N ATOM 1207 NH2 ARG A 75 -0.466 -9.471 -5.110 1.00 1.87 N ATOM 0 H ARG A 75 1.015 -3.645 -2.023 1.00 0.27 H new ATOM 0 HA ARG A 75 -0.560 -2.010 -3.922 1.00 0.34 H new ATOM 0 HB2 ARG A 75 -2.085 -4.116 -3.685 1.00 0.46 H new ATOM 0 HB3 ARG A 75 -0.657 -4.190 -4.699 1.00 0.46 H new ATOM 0 HG2 ARG A 75 0.549 -5.483 -3.132 1.00 0.94 H new ATOM 0 HG3 ARG A 75 -0.505 -5.038 -1.804 1.00 0.94 H new ATOM 0 HD2 ARG A 75 -1.523 -7.024 -2.174 1.00 1.08 H new ATOM 0 HD3 ARG A 75 -2.299 -6.221 -3.524 1.00 1.08 H new ATOM 0 HE ARG A 75 0.135 -7.121 -4.556 1.00 0.87 H new ATOM 0 HH11 ARG A 75 -2.663 -8.547 -2.945 1.00 2.11 H new ATOM 0 HH12 ARG A 75 -2.491 -10.102 -3.767 1.00 2.11 H new ATOM 0 HH21 ARG A 75 0.351 -9.120 -5.610 1.00 1.87 H new ATOM 0 HH22 ARG A 75 -0.791 -10.425 -5.270 1.00 1.87 H new ATOM 1221 N VAL A 76 -2.714 -1.976 -2.325 1.00 0.32 N ATOM 1222 CA VAL A 76 -3.656 -1.543 -1.295 1.00 0.39 C ATOM 1223 C VAL A 76 -4.952 -2.351 -1.279 1.00 0.31 C ATOM 1224 O VAL A 76 -5.833 -2.163 -2.117 1.00 0.43 O ATOM 1225 CB VAL A 76 -4.002 -0.041 -1.415 1.00 0.60 C ATOM 1226 CG1 VAL A 76 -4.959 0.378 -0.307 1.00 0.47 C ATOM 1227 CG2 VAL A 76 -2.745 0.810 -1.361 1.00 0.54 C ATOM 0 H VAL A 76 -3.089 -1.999 -3.273 1.00 0.32 H new ATOM 0 HA VAL A 76 -3.135 -1.721 -0.354 1.00 0.39 H new ATOM 0 HB VAL A 76 -4.487 0.115 -2.379 1.00 0.60 H new ATOM 0 HG11 VAL A 76 -5.191 1.438 -0.408 1.00 0.47 H new ATOM 0 HG12 VAL A 76 -5.878 -0.203 -0.381 1.00 0.47 H new ATOM 0 HG13 VAL A 76 -4.494 0.199 0.662 1.00 0.47 H new ATOM 0 HG21 VAL A 76 -3.014 1.863 -1.447 1.00 0.54 H new ATOM 0 HG22 VAL A 76 -2.233 0.643 -0.413 1.00 0.54 H new ATOM 0 HG23 VAL A 76 -2.084 0.536 -2.184 1.00 0.54 H new ATOM 1237 N ILE A 77 -5.065 -3.225 -0.281 1.00 0.33 N ATOM 1238 CA ILE A 77 -6.245 -4.040 -0.080 1.00 0.31 C ATOM 1239 C ILE A 77 -7.058 -3.379 1.029 1.00 0.30 C ATOM 1240 O ILE A 77 -6.505 -3.036 2.070 1.00 0.42 O ATOM 1241 CB ILE A 77 -5.858 -5.487 0.325 1.00 0.40 C ATOM 1242 CG1 ILE A 77 -5.352 -6.264 -0.889 1.00 0.45 C ATOM 1243 CG2 ILE A 77 -7.030 -6.218 0.959 1.00 0.70 C ATOM 1244 CD1 ILE A 77 -4.813 -7.635 -0.546 1.00 0.42 C ATOM 0 H ILE A 77 -4.332 -3.383 0.411 1.00 0.33 H new ATOM 0 HA ILE A 77 -6.822 -4.109 -1.002 1.00 0.31 H new ATOM 0 HB ILE A 77 -5.060 -5.421 1.064 1.00 0.40 H new ATOM 0 HG12 ILE A 77 -6.165 -6.371 -1.607 1.00 0.45 H new ATOM 0 HG13 ILE A 77 -4.568 -5.686 -1.379 1.00 0.45 H new ATOM 0 HG21 ILE A 77 -6.725 -7.228 1.231 1.00 0.70 H new ATOM 0 HG22 ILE A 77 -7.352 -5.683 1.853 1.00 0.70 H new ATOM 0 HG23 ILE A 77 -7.855 -6.267 0.249 1.00 0.70 H new ATOM 0 HD11 ILE A 77 -4.471 -8.130 -1.455 1.00 0.42 H new ATOM 0 HD12 ILE A 77 -3.978 -7.535 0.148 1.00 0.42 H new ATOM 0 HD13 ILE A 77 -5.600 -8.230 -0.083 1.00 0.42 H new ATOM 1256 N ALA A 78 -8.351 -3.174 0.821 1.00 0.27 N ATOM 1257 CA ALA A 78 -9.149 -2.519 1.853 1.00 0.30 C ATOM 1258 C ALA A 78 -10.627 -2.837 1.751 1.00 0.34 C ATOM 1259 O ALA A 78 -11.163 -3.024 0.663 1.00 0.60 O ATOM 1260 CB ALA A 78 -8.942 -1.017 1.784 1.00 0.39 C ATOM 0 H ALA A 78 -8.859 -3.441 -0.023 1.00 0.27 H new ATOM 0 HA ALA A 78 -8.807 -2.907 2.813 1.00 0.30 H new ATOM 0 HB1 ALA A 78 -9.539 -0.532 2.556 1.00 0.39 H new ATOM 0 HB2 ALA A 78 -7.888 -0.787 1.942 1.00 0.39 H new ATOM 0 HB3 ALA A 78 -9.250 -0.652 0.804 1.00 0.39 H new ATOM 1266 N LYS A 79 -11.283 -2.877 2.905 1.00 0.38 N ATOM 1267 CA LYS A 79 -12.709 -3.154 2.963 1.00 0.43 C ATOM 1268 C LYS A 79 -13.505 -1.918 2.566 1.00 0.59 C ATOM 1269 O LYS A 79 -12.950 -0.953 2.041 1.00 1.31 O ATOM 1270 CB LYS A 79 -13.117 -3.602 4.370 1.00 0.56 C ATOM 1271 CG LYS A 79 -12.294 -4.756 4.913 1.00 1.07 C ATOM 1272 CD LYS A 79 -13.121 -5.628 5.845 1.00 1.50 C ATOM 1273 CE LYS A 79 -12.667 -7.078 5.803 1.00 1.71 C ATOM 1274 NZ LYS A 79 -12.621 -7.686 7.163 1.00 1.98 N ATOM 0 H LYS A 79 -10.847 -2.720 3.814 1.00 0.38 H new ATOM 0 HA LYS A 79 -12.927 -3.960 2.262 1.00 0.43 H new ATOM 0 HB2 LYS A 79 -13.029 -2.755 5.050 1.00 0.56 H new ATOM 0 HB3 LYS A 79 -14.167 -3.893 4.357 1.00 0.56 H new ATOM 0 HG2 LYS A 79 -11.917 -5.358 4.086 1.00 1.07 H new ATOM 0 HG3 LYS A 79 -11.427 -4.368 5.447 1.00 1.07 H new ATOM 0 HD2 LYS A 79 -13.041 -5.250 6.864 1.00 1.50 H new ATOM 0 HD3 LYS A 79 -14.172 -5.567 5.564 1.00 1.50 H new ATOM 0 HE2 LYS A 79 -13.345 -7.652 5.171 1.00 1.71 H new ATOM 0 HE3 LYS A 79 -11.679 -7.136 5.346 1.00 1.71 H new ATOM 0 HZ1 LYS A 79 -12.307 -8.675 7.091 1.00 1.98 H new ATOM 0 HZ2 LYS A 79 -11.955 -7.154 7.759 1.00 1.98 H new ATOM 0 HZ3 LYS A 79 -13.569 -7.654 7.590 1.00 1.98 H new ATOM 1288 N ASN A 80 -14.804 -1.953 2.820 1.00 0.65 N ATOM 1289 CA ASN A 80 -15.679 -0.841 2.495 1.00 0.70 C ATOM 1290 C ASN A 80 -16.530 -0.478 3.730 1.00 0.87 C ATOM 1291 O ASN A 80 -15.965 -0.130 4.766 1.00 1.55 O ATOM 1292 CB ASN A 80 -16.505 -1.206 1.251 1.00 0.67 C ATOM 1293 CG ASN A 80 -17.333 -2.464 1.439 1.00 1.39 C ATOM 1294 OD1 ASN A 80 -17.524 -2.933 2.562 1.00 2.19 O ATOM 1295 ND2 ASN A 80 -17.828 -3.017 0.340 1.00 2.05 N ATOM 0 H ASN A 80 -15.277 -2.746 3.253 1.00 0.65 H new ATOM 0 HA ASN A 80 -15.112 0.055 2.244 1.00 0.70 H new ATOM 0 HB2 ASN A 80 -17.166 -0.376 1.004 1.00 0.67 H new ATOM 0 HB3 ASN A 80 -15.834 -1.342 0.403 1.00 0.67 H new ATOM 0 HD21 ASN A 80 -18.392 -3.864 0.405 1.00 2.05 H new ATOM 0 HD22 ASN A 80 -17.645 -2.595 -0.570 1.00 2.05 H new ATOM 1302 N ALA A 81 -17.862 -0.556 3.657 1.00 0.76 N ATOM 1303 CA ALA A 81 -18.691 -0.230 4.808 1.00 0.82 C ATOM 1304 C ALA A 81 -19.704 -1.336 5.107 1.00 0.88 C ATOM 1305 O ALA A 81 -20.501 -1.217 6.039 1.00 1.08 O ATOM 1306 CB ALA A 81 -19.409 1.088 4.586 1.00 0.83 C ATOM 0 H ALA A 81 -18.378 -0.838 2.824 1.00 0.76 H new ATOM 0 HA ALA A 81 -18.032 -0.139 5.671 1.00 0.82 H new ATOM 0 HB1 ALA A 81 -20.025 1.318 5.456 1.00 0.83 H new ATOM 0 HB2 ALA A 81 -18.676 1.882 4.440 1.00 0.83 H new ATOM 0 HB3 ALA A 81 -20.043 1.013 3.702 1.00 0.83 H new ATOM 1312 N ALA A 82 -19.674 -2.412 4.321 1.00 0.81 N ATOM 1313 CA ALA A 82 -20.593 -3.522 4.517 1.00 0.90 C ATOM 1314 C ALA A 82 -19.865 -4.777 4.995 1.00 0.88 C ATOM 1315 O ALA A 82 -20.475 -5.836 5.137 1.00 1.06 O ATOM 1316 CB ALA A 82 -21.346 -3.811 3.228 1.00 0.94 C ATOM 0 H ALA A 82 -19.023 -2.534 3.545 1.00 0.81 H new ATOM 0 HA ALA A 82 -21.303 -3.234 5.292 1.00 0.90 H new ATOM 0 HB1 ALA A 82 -22.031 -4.644 3.386 1.00 0.94 H new ATOM 0 HB2 ALA A 82 -21.911 -2.927 2.931 1.00 0.94 H new ATOM 0 HB3 ALA A 82 -20.636 -4.069 2.442 1.00 0.94 H new ATOM 1322 N GLY A 83 -18.560 -4.660 5.244 1.00 0.82 N ATOM 1323 CA GLY A 83 -17.797 -5.803 5.701 1.00 0.86 C ATOM 1324 C GLY A 83 -17.047 -6.500 4.580 1.00 0.78 C ATOM 1325 O GLY A 83 -16.190 -7.346 4.837 1.00 0.93 O ATOM 0 H GLY A 83 -18.025 -3.798 5.137 1.00 0.82 H new ATOM 0 HA2 GLY A 83 -17.085 -5.478 6.460 1.00 0.86 H new ATOM 0 HA3 GLY A 83 -18.470 -6.515 6.179 1.00 0.86 H new ATOM 1329 N ALA A 84 -17.362 -6.150 3.335 1.00 0.72 N ATOM 1330 CA ALA A 84 -16.700 -6.757 2.190 1.00 0.78 C ATOM 1331 C ALA A 84 -15.228 -6.372 2.163 1.00 0.76 C ATOM 1332 O ALA A 84 -14.766 -5.601 3.004 1.00 1.38 O ATOM 1333 CB ALA A 84 -17.387 -6.338 0.901 1.00 0.92 C ATOM 0 H ALA A 84 -18.068 -5.453 3.097 1.00 0.72 H new ATOM 0 HA ALA A 84 -16.769 -7.841 2.281 1.00 0.78 H new ATOM 0 HB1 ALA A 84 -16.881 -6.799 0.053 1.00 0.92 H new ATOM 0 HB2 ALA A 84 -18.428 -6.660 0.922 1.00 0.92 H new ATOM 0 HB3 ALA A 84 -17.345 -5.253 0.802 1.00 0.92 H new ATOM 1339 N ILE A 85 -14.489 -6.909 1.200 1.00 0.50 N ATOM 1340 CA ILE A 85 -13.071 -6.604 1.092 1.00 0.40 C ATOM 1341 C ILE A 85 -12.680 -6.208 -0.323 1.00 0.38 C ATOM 1342 O ILE A 85 -12.500 -7.060 -1.193 1.00 0.48 O ATOM 1343 CB ILE A 85 -12.191 -7.791 1.538 1.00 0.48 C ATOM 1344 CG1 ILE A 85 -10.715 -7.378 1.555 1.00 0.54 C ATOM 1345 CG2 ILE A 85 -12.405 -8.990 0.624 1.00 0.57 C ATOM 1346 CD1 ILE A 85 -10.146 -7.225 2.949 1.00 0.79 C ATOM 0 H ILE A 85 -14.844 -7.550 0.491 1.00 0.50 H new ATOM 0 HA ILE A 85 -12.897 -5.760 1.759 1.00 0.40 H new ATOM 0 HB ILE A 85 -12.481 -8.080 2.548 1.00 0.48 H new ATOM 0 HG12 ILE A 85 -10.132 -8.122 1.013 1.00 0.54 H new ATOM 0 HG13 ILE A 85 -10.604 -6.435 1.020 1.00 0.54 H new ATOM 0 HG21 ILE A 85 -11.776 -9.816 0.955 1.00 0.57 H new ATOM 0 HG22 ILE A 85 -13.451 -9.293 0.661 1.00 0.57 H new ATOM 0 HG23 ILE A 85 -12.141 -8.720 -0.398 1.00 0.57 H new ATOM 0 HD11 ILE A 85 -9.098 -6.932 2.884 1.00 0.79 H new ATOM 0 HD12 ILE A 85 -10.705 -6.460 3.488 1.00 0.79 H new ATOM 0 HD13 ILE A 85 -10.225 -8.173 3.480 1.00 0.79 H new ATOM 1358 N SER A 86 -12.529 -4.909 -0.549 1.00 0.39 N ATOM 1359 CA SER A 86 -12.132 -4.426 -1.859 1.00 0.45 C ATOM 1360 C SER A 86 -10.798 -5.076 -2.234 1.00 0.44 C ATOM 1361 O SER A 86 -9.799 -4.891 -1.526 1.00 0.43 O ATOM 1362 CB SER A 86 -12.024 -2.894 -1.866 1.00 0.54 C ATOM 1363 OG SER A 86 -10.674 -2.462 -1.885 1.00 0.59 O ATOM 0 H SER A 86 -12.674 -4.181 0.151 1.00 0.39 H new ATOM 0 HA SER A 86 -12.887 -4.697 -2.597 1.00 0.45 H new ATOM 0 HB2 SER A 86 -12.545 -2.497 -2.737 1.00 0.54 H new ATOM 0 HB3 SER A 86 -12.523 -2.490 -0.985 1.00 0.54 H new ATOM 0 HG SER A 86 -10.318 -2.460 -0.972 1.00 0.59 H new ATOM 1369 N PRO A 87 -10.762 -5.862 -3.331 1.00 0.52 N ATOM 1370 CA PRO A 87 -9.554 -6.555 -3.771 1.00 0.61 C ATOM 1371 C PRO A 87 -8.300 -5.692 -3.690 1.00 0.54 C ATOM 1372 O PRO A 87 -8.372 -4.493 -3.422 1.00 0.63 O ATOM 1373 CB PRO A 87 -9.851 -6.948 -5.224 1.00 0.85 C ATOM 1374 CG PRO A 87 -11.212 -6.413 -5.536 1.00 0.74 C ATOM 1375 CD PRO A 87 -11.890 -6.154 -4.222 1.00 0.59 C ATOM 0 HA PRO A 87 -9.339 -7.408 -3.127 1.00 0.61 H new ATOM 0 HB2 PRO A 87 -9.105 -6.530 -5.900 1.00 0.85 H new ATOM 0 HB3 PRO A 87 -9.822 -8.031 -5.347 1.00 0.85 H new ATOM 0 HG2 PRO A 87 -11.142 -5.496 -6.122 1.00 0.74 H new ATOM 0 HG3 PRO A 87 -11.781 -7.128 -6.130 1.00 0.74 H new ATOM 0 HD2 PRO A 87 -12.585 -5.317 -4.283 1.00 0.59 H new ATOM 0 HD3 PRO A 87 -12.461 -7.019 -3.883 1.00 0.59 H new ATOM 1383 N PRO A 88 -7.125 -6.303 -3.915 1.00 0.55 N ATOM 1384 CA PRO A 88 -5.845 -5.601 -3.859 1.00 0.56 C ATOM 1385 C PRO A 88 -5.643 -4.652 -5.028 1.00 0.48 C ATOM 1386 O PRO A 88 -5.823 -5.025 -6.187 1.00 0.68 O ATOM 1387 CB PRO A 88 -4.796 -6.722 -3.906 1.00 0.69 C ATOM 1388 CG PRO A 88 -5.550 -8.007 -3.786 1.00 0.76 C ATOM 1389 CD PRO A 88 -6.951 -7.726 -4.236 1.00 0.72 C ATOM 0 HA PRO A 88 -5.781 -4.978 -2.967 1.00 0.56 H new ATOM 0 HB2 PRO A 88 -4.232 -6.688 -4.838 1.00 0.69 H new ATOM 0 HB3 PRO A 88 -4.077 -6.616 -3.094 1.00 0.69 H new ATOM 0 HG2 PRO A 88 -5.094 -8.783 -4.401 1.00 0.76 H new ATOM 0 HG3 PRO A 88 -5.539 -8.368 -2.758 1.00 0.76 H new ATOM 0 HD2 PRO A 88 -7.078 -7.917 -5.302 1.00 0.72 H new ATOM 0 HD3 PRO A 88 -7.675 -8.349 -3.712 1.00 0.72 H new ATOM 1397 N SER A 89 -5.256 -3.424 -4.713 1.00 0.43 N ATOM 1398 CA SER A 89 -5.013 -2.419 -5.732 1.00 0.42 C ATOM 1399 C SER A 89 -3.569 -2.506 -6.214 1.00 0.35 C ATOM 1400 O SER A 89 -2.651 -2.144 -5.477 1.00 0.51 O ATOM 1401 CB SER A 89 -5.293 -1.023 -5.182 1.00 0.56 C ATOM 1402 OG SER A 89 -6.531 -0.527 -5.657 1.00 1.28 O ATOM 0 H SER A 89 -5.104 -3.102 -3.757 1.00 0.43 H new ATOM 0 HA SER A 89 -5.683 -2.605 -6.571 1.00 0.42 H new ATOM 0 HB2 SER A 89 -5.304 -1.053 -4.092 1.00 0.56 H new ATOM 0 HB3 SER A 89 -4.490 -0.346 -5.474 1.00 0.56 H new ATOM 0 HG SER A 89 -6.618 0.419 -5.417 1.00 1.28 H new ATOM 1408 N GLU A 90 -3.399 -3.000 -7.450 1.00 0.38 N ATOM 1409 CA GLU A 90 -2.081 -3.179 -8.109 1.00 0.37 C ATOM 1410 C GLU A 90 -0.923 -2.515 -7.348 1.00 0.34 C ATOM 1411 O GLU A 90 -0.888 -1.296 -7.211 1.00 0.44 O ATOM 1412 CB GLU A 90 -2.136 -2.625 -9.534 1.00 0.49 C ATOM 1413 CG GLU A 90 -2.215 -3.704 -10.602 1.00 0.90 C ATOM 1414 CD GLU A 90 -1.485 -3.321 -11.875 1.00 1.10 C ATOM 1415 OE1 GLU A 90 -1.320 -2.109 -12.123 1.00 1.76 O ATOM 1416 OE2 GLU A 90 -1.082 -4.236 -12.624 1.00 1.77 O ATOM 0 H GLU A 90 -4.181 -3.293 -8.035 1.00 0.38 H new ATOM 0 HA GLU A 90 -1.882 -4.251 -8.118 1.00 0.37 H new ATOM 0 HB2 GLU A 90 -3.001 -1.969 -9.627 1.00 0.49 H new ATOM 0 HB3 GLU A 90 -1.252 -2.013 -9.712 1.00 0.49 H new ATOM 0 HG2 GLU A 90 -1.793 -4.629 -10.210 1.00 0.90 H new ATOM 0 HG3 GLU A 90 -3.261 -3.904 -10.834 1.00 0.90 H new ATOM 1423 N PRO A 91 0.032 -3.311 -6.835 1.00 0.30 N ATOM 1424 CA PRO A 91 1.175 -2.791 -6.075 1.00 0.29 C ATOM 1425 C PRO A 91 1.884 -1.614 -6.738 1.00 0.31 C ATOM 1426 O PRO A 91 1.722 -1.358 -7.932 1.00 0.55 O ATOM 1427 CB PRO A 91 2.117 -3.986 -5.994 1.00 0.36 C ATOM 1428 CG PRO A 91 1.219 -5.173 -6.046 1.00 0.36 C ATOM 1429 CD PRO A 91 0.071 -4.785 -6.938 1.00 0.39 C ATOM 0 HA PRO A 91 0.849 -2.398 -5.112 1.00 0.29 H new ATOM 0 HB2 PRO A 91 2.827 -3.989 -6.821 1.00 0.36 H new ATOM 0 HB3 PRO A 91 2.701 -3.970 -5.073 1.00 0.36 H new ATOM 0 HG2 PRO A 91 1.744 -6.043 -6.442 1.00 0.36 H new ATOM 0 HG3 PRO A 91 0.866 -5.440 -5.050 1.00 0.36 H new ATOM 0 HD2 PRO A 91 0.234 -5.111 -7.965 1.00 0.39 H new ATOM 0 HD3 PRO A 91 -0.865 -5.235 -6.606 1.00 0.39 H new ATOM 1437 N SER A 92 2.682 -0.911 -5.935 1.00 0.27 N ATOM 1438 CA SER A 92 3.447 0.236 -6.399 1.00 0.31 C ATOM 1439 C SER A 92 4.873 -0.193 -6.696 1.00 0.27 C ATOM 1440 O SER A 92 5.376 -1.144 -6.086 1.00 0.24 O ATOM 1441 CB SER A 92 3.439 1.358 -5.345 1.00 0.39 C ATOM 1442 OG SER A 92 4.748 1.825 -5.054 1.00 1.23 O ATOM 0 H SER A 92 2.813 -1.124 -4.946 1.00 0.27 H new ATOM 0 HA SER A 92 2.987 0.621 -7.309 1.00 0.31 H new ATOM 0 HB2 SER A 92 2.830 2.188 -5.704 1.00 0.39 H new ATOM 0 HB3 SER A 92 2.973 0.992 -4.430 1.00 0.39 H new ATOM 0 HG SER A 92 5.117 2.276 -5.842 1.00 1.23 H new ATOM 1448 N ASP A 93 5.507 0.523 -7.629 1.00 0.33 N ATOM 1449 CA ASP A 93 6.886 0.258 -8.046 1.00 0.36 C ATOM 1450 C ASP A 93 7.745 -0.281 -6.908 1.00 0.32 C ATOM 1451 O ASP A 93 7.636 0.165 -5.765 1.00 0.56 O ATOM 1452 CB ASP A 93 7.516 1.538 -8.597 1.00 0.45 C ATOM 1453 CG ASP A 93 8.197 1.316 -9.934 1.00 0.89 C ATOM 1454 OD1 ASP A 93 9.310 0.751 -9.946 1.00 1.63 O ATOM 1455 OD2 ASP A 93 7.616 1.708 -10.968 1.00 1.55 O ATOM 0 H ASP A 93 5.075 1.307 -8.119 1.00 0.33 H new ATOM 0 HA ASP A 93 6.847 -0.508 -8.820 1.00 0.36 H new ATOM 0 HB2 ASP A 93 6.746 2.301 -8.707 1.00 0.45 H new ATOM 0 HB3 ASP A 93 8.243 1.920 -7.880 1.00 0.45 H new ATOM 1460 N ALA A 94 8.598 -1.242 -7.235 1.00 0.33 N ATOM 1461 CA ALA A 94 9.478 -1.846 -6.251 1.00 0.28 C ATOM 1462 C ALA A 94 10.682 -0.953 -5.968 1.00 0.29 C ATOM 1463 O ALA A 94 11.529 -0.754 -6.838 1.00 0.41 O ATOM 1464 CB ALA A 94 9.959 -3.199 -6.737 1.00 0.34 C ATOM 0 H ALA A 94 8.697 -1.619 -8.177 1.00 0.33 H new ATOM 0 HA ALA A 94 8.910 -1.970 -5.329 1.00 0.28 H new ATOM 0 HB1 ALA A 94 10.618 -3.641 -5.990 1.00 0.34 H new ATOM 0 HB2 ALA A 94 9.102 -3.853 -6.898 1.00 0.34 H new ATOM 0 HB3 ALA A 94 10.503 -3.077 -7.674 1.00 0.34 H new ATOM 1470 N ILE A 95 10.763 -0.420 -4.755 1.00 0.25 N ATOM 1471 CA ILE A 95 11.878 0.441 -4.385 1.00 0.28 C ATOM 1472 C ILE A 95 12.943 -0.346 -3.628 1.00 0.26 C ATOM 1473 O ILE A 95 12.693 -0.864 -2.540 1.00 0.25 O ATOM 1474 CB ILE A 95 11.404 1.634 -3.535 1.00 0.33 C ATOM 1475 CG1 ILE A 95 10.385 2.447 -4.329 1.00 0.41 C ATOM 1476 CG2 ILE A 95 12.583 2.504 -3.123 1.00 0.41 C ATOM 1477 CD1 ILE A 95 8.957 2.016 -4.102 1.00 0.44 C ATOM 0 H ILE A 95 10.075 -0.567 -4.016 1.00 0.25 H new ATOM 0 HA ILE A 95 12.313 0.827 -5.307 1.00 0.28 H new ATOM 0 HB ILE A 95 10.933 1.260 -2.626 1.00 0.33 H new ATOM 0 HG12 ILE A 95 10.485 3.499 -4.062 1.00 0.41 H new ATOM 0 HG13 ILE A 95 10.616 2.365 -5.391 1.00 0.41 H new ATOM 0 HG21 ILE A 95 12.225 3.341 -2.523 1.00 0.41 H new ATOM 0 HG22 ILE A 95 13.285 1.911 -2.537 1.00 0.41 H new ATOM 0 HG23 ILE A 95 13.084 2.884 -4.014 1.00 0.41 H new ATOM 0 HD11 ILE A 95 8.290 2.638 -4.699 1.00 0.44 H new ATOM 0 HD12 ILE A 95 8.841 0.973 -4.397 1.00 0.44 H new ATOM 0 HD13 ILE A 95 8.707 2.125 -3.047 1.00 0.44 H new ATOM 1489 N THR A 96 14.131 -0.439 -4.224 1.00 0.29 N ATOM 1490 CA THR A 96 15.245 -1.172 -3.623 1.00 0.32 C ATOM 1491 C THR A 96 15.410 -0.825 -2.147 1.00 0.32 C ATOM 1492 O THR A 96 15.910 -1.630 -1.366 1.00 0.38 O ATOM 1493 CB THR A 96 16.544 -0.875 -4.377 1.00 0.37 C ATOM 1494 OG1 THR A 96 16.464 -1.332 -5.716 1.00 0.44 O ATOM 1495 CG2 THR A 96 17.763 -1.515 -3.748 1.00 0.43 C ATOM 0 H THR A 96 14.347 -0.014 -5.126 1.00 0.29 H new ATOM 0 HA THR A 96 15.020 -2.236 -3.697 1.00 0.32 H new ATOM 0 HB THR A 96 16.659 0.208 -4.334 1.00 0.37 H new ATOM 0 HG1 THR A 96 17.303 -1.131 -6.181 1.00 0.44 H new ATOM 0 HG21 THR A 96 18.648 -1.264 -4.332 1.00 0.43 H new ATOM 0 HG22 THR A 96 17.884 -1.145 -2.730 1.00 0.43 H new ATOM 0 HG23 THR A 96 17.636 -2.597 -3.728 1.00 0.43 H new ATOM 1503 N CYS A 97 14.987 0.376 -1.768 1.00 0.32 N ATOM 1504 CA CYS A 97 15.092 0.815 -0.378 1.00 0.36 C ATOM 1505 C CYS A 97 16.483 0.533 0.189 1.00 0.43 C ATOM 1506 O CYS A 97 16.676 -0.433 0.927 1.00 0.64 O ATOM 1507 CB CYS A 97 14.044 0.106 0.477 1.00 0.38 C ATOM 1508 SG CYS A 97 12.375 0.785 0.322 1.00 1.10 S ATOM 0 H CYS A 97 14.570 1.061 -2.399 1.00 0.32 H new ATOM 0 HA CYS A 97 14.920 1.891 -0.355 1.00 0.36 H new ATOM 0 HB2 CYS A 97 14.022 -0.949 0.203 1.00 0.38 H new ATOM 0 HB3 CYS A 97 14.349 0.158 1.522 1.00 0.38 H new ATOM 0 HG CYS A 97 12.135 1.580 1.322 1.00 1.10 H new ATOM 1514 N ARG A 98 17.444 1.379 -0.158 1.00 0.53 N ATOM 1515 CA ARG A 98 18.815 1.215 0.320 1.00 0.63 C ATOM 1516 C ARG A 98 19.279 2.450 1.080 1.00 0.80 C ATOM 1517 O ARG A 98 19.288 2.473 2.309 1.00 1.04 O ATOM 1518 CB ARG A 98 19.770 0.928 -0.846 1.00 0.68 C ATOM 1519 CG ARG A 98 19.303 1.479 -2.185 1.00 0.74 C ATOM 1520 CD ARG A 98 20.480 1.834 -3.079 1.00 0.92 C ATOM 1521 NE ARG A 98 21.372 0.695 -3.283 1.00 1.64 N ATOM 1522 CZ ARG A 98 22.574 0.794 -3.840 1.00 2.31 C ATOM 1523 NH1 ARG A 98 23.025 1.972 -4.245 1.00 3.00 N ATOM 1524 NH2 ARG A 98 23.330 -0.287 -3.992 1.00 2.68 N ATOM 0 H ARG A 98 17.302 2.185 -0.767 1.00 0.53 H new ATOM 0 HA ARG A 98 18.828 0.363 1.000 1.00 0.63 H new ATOM 0 HB2 ARG A 98 20.747 1.351 -0.613 1.00 0.68 H new ATOM 0 HB3 ARG A 98 19.902 -0.150 -0.936 1.00 0.68 H new ATOM 0 HG2 ARG A 98 18.674 0.742 -2.684 1.00 0.74 H new ATOM 0 HG3 ARG A 98 18.688 2.364 -2.022 1.00 0.74 H new ATOM 0 HD2 ARG A 98 20.111 2.183 -4.043 1.00 0.92 H new ATOM 0 HD3 ARG A 98 21.039 2.657 -2.634 1.00 0.92 H new ATOM 0 HE ARG A 98 21.055 -0.226 -2.981 1.00 1.64 H new ATOM 0 HH11 ARG A 98 22.449 2.806 -4.129 1.00 3.00 H new ATOM 0 HH12 ARG A 98 23.948 2.045 -4.672 1.00 3.00 H new ATOM 0 HH21 ARG A 98 22.988 -1.196 -3.681 1.00 2.68 H new ATOM 0 HH22 ARG A 98 24.252 -0.208 -4.420 1.00 2.68 H new ATOM 1538 N ASP A 99 19.664 3.468 0.331 1.00 0.92 N ATOM 1539 CA ASP A 99 20.134 4.723 0.910 1.00 1.20 C ATOM 1540 C ASP A 99 19.289 5.890 0.410 1.00 1.03 C ATOM 1541 O ASP A 99 19.759 7.026 0.345 1.00 1.20 O ATOM 1542 CB ASP A 99 21.599 4.953 0.543 1.00 1.61 C ATOM 1543 CG ASP A 99 21.793 5.203 -0.939 1.00 1.71 C ATOM 1544 OD1 ASP A 99 21.085 6.072 -1.492 1.00 2.08 O ATOM 1545 OD2 ASP A 99 22.651 4.530 -1.549 1.00 2.14 O ATOM 0 H ASP A 99 19.662 3.453 -0.689 1.00 0.92 H new ATOM 0 HA ASP A 99 20.041 4.660 1.994 1.00 1.20 H new ATOM 0 HB2 ASP A 99 21.982 5.805 1.105 1.00 1.61 H new ATOM 0 HB3 ASP A 99 22.186 4.084 0.842 1.00 1.61 H new ATOM 1550 N ASP A 100 18.044 5.594 0.043 1.00 0.85 N ATOM 1551 CA ASP A 100 17.124 6.603 -0.471 1.00 0.92 C ATOM 1552 C ASP A 100 17.778 7.440 -1.567 1.00 1.22 C ATOM 1553 O ASP A 100 17.374 8.573 -1.826 1.00 1.38 O ATOM 1554 CB ASP A 100 16.614 7.506 0.659 1.00 0.87 C ATOM 1555 CG ASP A 100 15.166 7.236 1.019 1.00 1.32 C ATOM 1556 OD1 ASP A 100 14.921 6.366 1.880 1.00 2.03 O ATOM 1557 OD2 ASP A 100 14.278 7.895 0.439 1.00 2.06 O ATOM 0 H ASP A 100 17.648 4.655 0.093 1.00 0.85 H new ATOM 0 HA ASP A 100 16.272 6.081 -0.906 1.00 0.92 H new ATOM 0 HB2 ASP A 100 17.236 7.361 1.542 1.00 0.87 H new ATOM 0 HB3 ASP A 100 16.721 8.549 0.361 1.00 0.87 H new ATOM 1562 N VAL A 101 18.788 6.866 -2.213 1.00 1.43 N ATOM 1563 CA VAL A 101 19.501 7.544 -3.287 1.00 1.90 C ATOM 1564 C VAL A 101 19.482 6.721 -4.578 1.00 2.23 C ATOM 1565 O VAL A 101 19.802 7.234 -5.650 1.00 2.80 O ATOM 1566 CB VAL A 101 20.963 7.835 -2.895 1.00 2.20 C ATOM 1567 CG1 VAL A 101 21.683 8.561 -4.021 1.00 2.67 C ATOM 1568 CG2 VAL A 101 21.020 8.644 -1.607 1.00 2.22 C ATOM 0 H VAL A 101 19.132 5.928 -2.009 1.00 1.43 H new ATOM 0 HA VAL A 101 18.983 8.488 -3.459 1.00 1.90 H new ATOM 0 HB VAL A 101 21.470 6.885 -2.723 1.00 2.20 H new ATOM 0 HG11 VAL A 101 22.714 8.758 -3.726 1.00 2.67 H new ATOM 0 HG12 VAL A 101 21.674 7.941 -4.918 1.00 2.67 H new ATOM 0 HG13 VAL A 101 21.178 9.505 -4.227 1.00 2.67 H new ATOM 0 HG21 VAL A 101 22.060 8.840 -1.346 1.00 2.22 H new ATOM 0 HG22 VAL A 101 20.497 9.590 -1.748 1.00 2.22 H new ATOM 0 HG23 VAL A 101 20.544 8.082 -0.803 1.00 2.22 H new ATOM 1578 N GLU A 102 19.104 5.442 -4.476 1.00 1.99 N ATOM 1579 CA GLU A 102 19.044 4.561 -5.640 1.00 2.40 C ATOM 1580 C GLU A 102 20.277 4.721 -6.526 1.00 2.00 C ATOM 1581 O GLU A 102 20.214 4.516 -7.738 1.00 2.49 O ATOM 1582 CB GLU A 102 17.781 4.848 -6.444 1.00 3.22 C ATOM 1583 CG GLU A 102 17.785 6.211 -7.115 1.00 3.87 C ATOM 1584 CD GLU A 102 18.731 7.188 -6.444 1.00 4.18 C ATOM 1585 OE1 GLU A 102 19.180 6.899 -5.315 1.00 4.58 O ATOM 1586 OE2 GLU A 102 19.024 8.241 -7.049 1.00 4.47 O ATOM 0 H GLU A 102 18.836 4.997 -3.598 1.00 1.99 H new ATOM 0 HA GLU A 102 19.021 3.532 -5.283 1.00 2.40 H new ATOM 0 HB2 GLU A 102 17.662 4.077 -7.206 1.00 3.22 H new ATOM 0 HB3 GLU A 102 16.916 4.780 -5.784 1.00 3.22 H new ATOM 0 HG2 GLU A 102 18.069 6.096 -8.161 1.00 3.87 H new ATOM 0 HG3 GLU A 102 16.775 6.621 -7.102 1.00 3.87 H new ATOM 1593 N ALA A 103 21.394 5.087 -5.910 1.00 1.84 N ATOM 1594 CA ALA A 103 22.644 5.274 -6.637 1.00 2.56 C ATOM 1595 C ALA A 103 22.582 6.513 -7.527 1.00 3.21 C ATOM 1596 O ALA A 103 22.762 6.370 -8.755 1.00 3.72 O ATOM 1597 CB ALA A 103 22.961 4.038 -7.466 1.00 3.26 C ATOM 1598 OXT ALA A 103 22.355 7.617 -6.987 1.00 3.79 O ATOM 0 H ALA A 103 21.460 5.261 -4.907 1.00 1.84 H new ATOM 0 HA ALA A 103 23.442 5.423 -5.909 1.00 2.56 H new ATOM 0 HB1 ALA A 103 23.897 4.191 -8.004 1.00 3.26 H new ATOM 0 HB2 ALA A 103 23.057 3.174 -6.809 1.00 3.26 H new ATOM 0 HB3 ALA A 103 22.156 3.863 -8.180 1.00 3.26 H new TER 1604 ALA A 103