USER MOD reduce.3.24.130724 H: found=0, std=0, add=657, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 652 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 69 TYR OH : rot 173:sc= -0.688 USER MOD Set 1.2: A 72 HIS : no HD1:sc= 0 X(o=-0.69,f=-0.7) USER MOD Set 2.1: A 43 HIS : no HD1:sc= -0.599 K(o=-0.33,f=-3.9) USER MOD Set 2.2: A 46 THR OG1 : rot -153:sc= 0.266 USER MOD Single : A 1 SER N :NH3+ 137:sc= 0.0652 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot -52:sc= 0.0558 USER MOD Single : A 12 GLN : amide:sc= -6.63! C(o=-6.6!,f=-5.3!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= -0.0101 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= -0.471 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -0.355 X(o=-0.36,f=-0.11) USER MOD Single : A 39 THR OG1 : rot -160:sc= -0.741 USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 22:sc= -2.14 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 THR OG1 : rot -80:sc= -1.03 USER MOD Single : A 63 GLN : amide:sc= -0.417 X(o=-0.42,f=-0.029) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.0868 USER MOD Single : A 66 THR OG1 : rot 57:sc= 0.674 USER MOD Single : A 68 HIS : no HD1:sc= -1.48 K(o=-1.5,f=-2) USER MOD Single : A 70 GLN : amide:sc= -0.111 K(o=-0.11,f=-0.89) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0.0179 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 ASN : amide:sc= -0.455 K(o=-0.45,f=-1.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 1.159 4.355 0.340 1.00 23.44 N ATOM 2 CA SER A 1 2.096 4.220 -0.769 1.00 74.23 C ATOM 3 C SER A 1 1.636 5.041 -1.970 1.00 63.24 C ATOM 4 O SER A 1 0.469 5.414 -2.090 1.00 3.43 O ATOM 5 CB SER A 1 2.239 2.750 -1.167 1.00 64.52 C ATOM 6 OG SER A 1 3.280 2.123 -0.438 1.00 4.24 O ATOM 0 H1 SER A 1 0.997 3.423 0.773 1.00 23.44 H new ATOM 0 H2 SER A 1 1.553 5.004 1.051 1.00 23.44 H new ATOM 0 H3 SER A 1 0.257 4.734 -0.012 1.00 23.44 H new ATOM 0 HA SER A 1 3.065 4.596 -0.442 1.00 74.23 H new ATOM 0 HB2 SER A 1 1.299 2.228 -0.987 1.00 64.52 H new ATOM 0 HB3 SER A 1 2.444 2.677 -2.235 1.00 64.52 H new ATOM 0 HG SER A 1 3.350 1.184 -0.709 1.00 4.24 H new ATOM 12 N PRO A 2 2.576 5.329 -2.883 1.00 1.41 N ATOM 13 CA PRO A 2 2.293 6.109 -4.092 1.00 32.42 C ATOM 14 C PRO A 2 1.424 5.343 -5.085 1.00 4.45 C ATOM 15 O PRO A 2 1.541 4.125 -5.217 1.00 32.11 O ATOM 16 CB PRO A 2 3.682 6.364 -4.682 1.00 54.55 C ATOM 17 CG PRO A 2 4.523 5.246 -4.171 1.00 55.12 C ATOM 18 CD PRO A 2 3.987 4.917 -2.805 1.00 64.41 C ATOM 0 HA PRO A 2 1.736 7.019 -3.870 1.00 32.42 H new ATOM 0 HB2 PRO A 2 3.654 6.372 -5.772 1.00 54.55 H new ATOM 0 HB3 PRO A 2 4.075 7.331 -4.366 1.00 54.55 H new ATOM 0 HG2 PRO A 2 4.466 4.381 -4.832 1.00 55.12 H new ATOM 0 HG3 PRO A 2 5.572 5.539 -4.119 1.00 55.12 H new ATOM 0 HD2 PRO A 2 4.083 3.855 -2.581 1.00 64.41 H new ATOM 0 HD3 PRO A 2 4.521 5.457 -2.023 1.00 64.41 H new ATOM 26 N LYS A 3 0.554 6.066 -5.781 1.00 74.33 N ATOM 27 CA LYS A 3 -0.334 5.456 -6.764 1.00 71.11 C ATOM 28 C LYS A 3 0.005 5.932 -8.173 1.00 13.40 C ATOM 29 O LYS A 3 -0.345 7.046 -8.564 1.00 53.52 O ATOM 30 CB LYS A 3 -1.792 5.787 -6.439 1.00 75.22 C ATOM 31 CG LYS A 3 -2.763 5.408 -7.545 1.00 1.42 C ATOM 32 CD LYS A 3 -4.197 5.380 -7.042 1.00 63.55 C ATOM 33 CE LYS A 3 -4.420 4.240 -6.060 1.00 73.23 C ATOM 34 NZ LYS A 3 -5.123 4.698 -4.830 1.00 73.21 N ATOM 0 H LYS A 3 0.445 7.075 -5.683 1.00 74.33 H new ATOM 0 HA LYS A 3 -0.195 4.376 -6.721 1.00 71.11 H new ATOM 0 HB2 LYS A 3 -2.078 5.270 -5.523 1.00 75.22 H new ATOM 0 HB3 LYS A 3 -1.878 6.856 -6.242 1.00 75.22 H new ATOM 0 HG2 LYS A 3 -2.678 6.121 -8.365 1.00 1.42 H new ATOM 0 HG3 LYS A 3 -2.497 4.429 -7.944 1.00 1.42 H new ATOM 0 HD2 LYS A 3 -4.433 6.329 -6.560 1.00 63.55 H new ATOM 0 HD3 LYS A 3 -4.878 5.273 -7.886 1.00 63.55 H new ATOM 0 HE2 LYS A 3 -5.004 3.455 -6.541 1.00 73.23 H new ATOM 0 HE3 LYS A 3 -3.460 3.802 -5.788 1.00 73.23 H new ATOM 0 HZ1 LYS A 3 -5.256 3.892 -4.186 1.00 73.21 H new ATOM 0 HZ2 LYS A 3 -4.554 5.429 -4.357 1.00 73.21 H new ATOM 0 HZ3 LYS A 3 -6.050 5.093 -5.087 1.00 73.21 H new ATOM 48 N THR A 4 0.687 5.081 -8.933 1.00 11.11 N ATOM 49 CA THR A 4 1.072 5.415 -10.298 1.00 44.11 C ATOM 50 C THR A 4 0.434 4.459 -11.299 1.00 40.01 C ATOM 51 O THR A 4 0.686 3.254 -11.268 1.00 43.14 O ATOM 52 CB THR A 4 2.602 5.379 -10.475 1.00 22.03 C ATOM 53 OG1 THR A 4 3.212 4.752 -9.341 1.00 34.41 O ATOM 54 CG2 THR A 4 3.161 6.784 -10.644 1.00 74.23 C ATOM 0 H THR A 4 0.984 4.155 -8.626 1.00 11.11 H new ATOM 0 HA THR A 4 0.715 6.427 -10.488 1.00 44.11 H new ATOM 0 HB THR A 4 2.828 4.804 -11.373 1.00 22.03 H new ATOM 0 HG1 THR A 4 4.184 4.732 -9.462 1.00 34.41 H new ATOM 0 HG21 THR A 4 4.243 6.733 -10.767 1.00 74.23 H new ATOM 0 HG22 THR A 4 2.717 7.249 -11.524 1.00 74.23 H new ATOM 0 HG23 THR A 4 2.924 7.378 -9.762 1.00 74.23 H new ATOM 62 N ILE A 5 -0.393 5.003 -12.186 1.00 4.34 N ATOM 63 CA ILE A 5 -1.065 4.198 -13.197 1.00 73.31 C ATOM 64 C ILE A 5 -0.073 3.665 -14.225 1.00 61.10 C ATOM 65 O ILE A 5 1.057 4.146 -14.320 1.00 62.44 O ATOM 66 CB ILE A 5 -2.157 5.004 -13.925 1.00 13.35 C ATOM 67 CG1 ILE A 5 -1.533 5.891 -15.004 1.00 11.21 C ATOM 68 CG2 ILE A 5 -2.945 5.845 -12.931 1.00 32.10 C ATOM 69 CD1 ILE A 5 -0.489 6.847 -14.471 1.00 42.01 C ATOM 0 H ILE A 5 -0.613 5.998 -12.224 1.00 4.34 H new ATOM 0 HA ILE A 5 -1.529 3.361 -12.675 1.00 73.31 H new ATOM 0 HB ILE A 5 -2.843 4.307 -14.406 1.00 13.35 H new ATOM 0 HG12 ILE A 5 -1.079 5.257 -15.766 1.00 11.21 H new ATOM 0 HG13 ILE A 5 -2.321 6.463 -15.494 1.00 11.21 H new ATOM 0 HG21 ILE A 5 -3.713 6.409 -13.460 1.00 32.10 H new ATOM 0 HG22 ILE A 5 -3.416 5.193 -12.195 1.00 32.10 H new ATOM 0 HG23 ILE A 5 -2.271 6.536 -12.425 1.00 32.10 H new ATOM 0 HD11 ILE A 5 -0.090 7.444 -15.291 1.00 42.01 H new ATOM 0 HD12 ILE A 5 -0.943 7.505 -13.730 1.00 42.01 H new ATOM 0 HD13 ILE A 5 0.319 6.282 -14.007 1.00 42.01 H new ATOM 81 N LEU A 6 -0.503 2.670 -14.994 1.00 3.52 N ATOM 82 CA LEU A 6 0.347 2.073 -16.018 1.00 23.55 C ATOM 83 C LEU A 6 -0.239 2.291 -17.408 1.00 54.24 C ATOM 84 O LEU A 6 0.423 2.828 -18.295 1.00 70.35 O ATOM 85 CB LEU A 6 0.520 0.576 -15.754 1.00 65.31 C ATOM 86 CG LEU A 6 1.916 0.006 -16.012 1.00 32.21 C ATOM 87 CD1 LEU A 6 2.328 0.236 -17.458 1.00 34.13 C ATOM 88 CD2 LEU A 6 2.929 0.626 -15.062 1.00 3.55 C ATOM 0 H LEU A 6 -1.435 2.260 -14.928 1.00 3.52 H new ATOM 0 HA LEU A 6 1.322 2.559 -15.975 1.00 23.55 H new ATOM 0 HB2 LEU A 6 0.254 0.377 -14.716 1.00 65.31 H new ATOM 0 HB3 LEU A 6 -0.193 0.033 -16.375 1.00 65.31 H new ATOM 0 HG LEU A 6 1.888 -1.068 -15.830 1.00 32.21 H new ATOM 0 HD11 LEU A 6 3.324 -0.176 -17.623 1.00 34.13 H new ATOM 0 HD12 LEU A 6 1.617 -0.256 -18.122 1.00 34.13 H new ATOM 0 HD13 LEU A 6 2.339 1.306 -17.667 1.00 34.13 H new ATOM 0 HD21 LEU A 6 3.916 0.209 -15.260 1.00 3.55 H new ATOM 0 HD22 LEU A 6 2.955 1.705 -15.211 1.00 3.55 H new ATOM 0 HD23 LEU A 6 2.643 0.409 -14.033 1.00 3.55 H new ATOM 100 N GLY A 7 -1.489 1.873 -17.591 1.00 5.32 N ATOM 101 CA GLY A 7 -2.144 2.034 -18.875 1.00 55.13 C ATOM 102 C GLY A 7 -2.923 3.331 -18.970 1.00 52.12 C ATOM 103 O GLY A 7 -3.506 3.786 -17.986 1.00 0.24 O ATOM 0 H GLY A 7 -2.058 1.426 -16.872 1.00 5.32 H new ATOM 0 HA2 GLY A 7 -1.396 2.004 -19.667 1.00 55.13 H new ATOM 0 HA3 GLY A 7 -2.819 1.195 -19.043 1.00 55.13 H new ATOM 107 N ILE A 8 -2.932 3.928 -20.157 1.00 51.41 N ATOM 108 CA ILE A 8 -3.644 5.181 -20.376 1.00 15.10 C ATOM 109 C ILE A 8 -4.674 5.040 -21.492 1.00 14.14 C ATOM 110 O ILE A 8 -4.467 4.296 -22.450 1.00 15.23 O ATOM 111 CB ILE A 8 -2.676 6.325 -20.728 1.00 41.44 C ATOM 112 CG1 ILE A 8 -3.425 7.658 -20.783 1.00 52.34 C ATOM 113 CG2 ILE A 8 -1.985 6.045 -22.054 1.00 62.04 C ATOM 114 CD1 ILE A 8 -3.910 8.022 -22.169 1.00 41.33 C ATOM 0 H ILE A 8 -2.454 3.564 -20.982 1.00 51.41 H new ATOM 0 HA ILE A 8 -4.153 5.422 -19.443 1.00 15.10 H new ATOM 0 HB ILE A 8 -1.915 6.389 -19.950 1.00 41.44 H new ATOM 0 HG12 ILE A 8 -4.280 7.613 -20.108 1.00 52.34 H new ATOM 0 HG13 ILE A 8 -2.770 8.449 -20.417 1.00 52.34 H new ATOM 0 HG21 ILE A 8 -1.304 6.863 -22.289 1.00 62.04 H new ATOM 0 HG22 ILE A 8 -1.423 5.114 -21.982 1.00 62.04 H new ATOM 0 HG23 ILE A 8 -2.733 5.957 -22.842 1.00 62.04 H new ATOM 0 HD11 ILE A 8 -4.432 8.978 -22.132 1.00 41.33 H new ATOM 0 HD12 ILE A 8 -3.058 8.099 -22.844 1.00 41.33 H new ATOM 0 HD13 ILE A 8 -4.590 7.251 -22.531 1.00 41.33 H new ATOM 126 N GLU A 9 -5.784 5.761 -21.360 1.00 45.14 N ATOM 127 CA GLU A 9 -6.845 5.717 -22.359 1.00 34.42 C ATOM 128 C GLU A 9 -7.391 7.115 -22.635 1.00 60.45 C ATOM 129 O GLU A 9 -7.794 7.829 -21.717 1.00 73.24 O ATOM 130 CB GLU A 9 -7.977 4.799 -21.892 1.00 30.25 C ATOM 131 CG GLU A 9 -8.429 3.803 -22.947 1.00 44.40 C ATOM 132 CD GLU A 9 -9.850 3.325 -22.727 1.00 75.40 C ATOM 133 OE1 GLU A 9 -10.050 2.421 -21.889 1.00 22.12 O ATOM 134 OE2 GLU A 9 -10.764 3.855 -23.394 1.00 30.44 O ATOM 0 H GLU A 9 -5.971 6.381 -20.572 1.00 45.14 H new ATOM 0 HA GLU A 9 -6.423 5.322 -23.283 1.00 34.42 H new ATOM 0 HB2 GLU A 9 -7.649 4.254 -21.007 1.00 30.25 H new ATOM 0 HB3 GLU A 9 -8.829 5.410 -21.593 1.00 30.25 H new ATOM 0 HG2 GLU A 9 -8.353 4.263 -23.932 1.00 44.40 H new ATOM 0 HG3 GLU A 9 -7.756 2.945 -22.943 1.00 44.40 H new ATOM 141 N VAL A 10 -7.400 7.499 -23.908 1.00 23.10 N ATOM 142 CA VAL A 10 -7.896 8.811 -24.307 1.00 63.40 C ATOM 143 C VAL A 10 -9.408 8.901 -24.138 1.00 72.25 C ATOM 144 O VAL A 10 -10.140 7.980 -24.503 1.00 3.32 O ATOM 145 CB VAL A 10 -7.534 9.126 -25.770 1.00 44.25 C ATOM 146 CG1 VAL A 10 -8.030 8.024 -26.693 1.00 61.52 C ATOM 147 CG2 VAL A 10 -8.106 10.474 -26.182 1.00 4.54 C ATOM 0 H VAL A 10 -7.070 6.920 -24.680 1.00 23.10 H new ATOM 0 HA VAL A 10 -7.417 9.542 -23.656 1.00 63.40 H new ATOM 0 HB VAL A 10 -6.448 9.176 -25.854 1.00 44.25 H new ATOM 0 HG11 VAL A 10 -7.765 8.265 -27.722 1.00 61.52 H new ATOM 0 HG12 VAL A 10 -7.568 7.078 -26.411 1.00 61.52 H new ATOM 0 HG13 VAL A 10 -9.113 7.938 -26.608 1.00 61.52 H new ATOM 0 HG21 VAL A 10 -7.840 10.680 -27.219 1.00 4.54 H new ATOM 0 HG22 VAL A 10 -9.191 10.455 -26.082 1.00 4.54 H new ATOM 0 HG23 VAL A 10 -7.697 11.254 -25.540 1.00 4.54 H new ATOM 157 N SER A 11 -9.871 10.017 -23.584 1.00 61.30 N ATOM 158 CA SER A 11 -11.297 10.227 -23.364 1.00 20.52 C ATOM 159 C SER A 11 -11.646 11.710 -23.439 1.00 22.12 C ATOM 160 O SER A 11 -12.621 12.160 -22.838 1.00 20.43 O ATOM 161 CB SER A 11 -11.713 9.661 -22.004 1.00 52.34 C ATOM 162 OG SER A 11 -13.104 9.393 -21.968 1.00 12.01 O ATOM 0 H SER A 11 -9.279 10.790 -23.279 1.00 61.30 H new ATOM 0 HA SER A 11 -11.842 9.704 -24.150 1.00 20.52 H new ATOM 0 HB2 SER A 11 -11.158 8.745 -21.802 1.00 52.34 H new ATOM 0 HB3 SER A 11 -11.455 10.370 -21.217 1.00 52.34 H new ATOM 0 HG SER A 11 -13.598 10.189 -22.256 1.00 12.01 H new ATOM 168 N GLN A 12 -10.841 12.464 -24.181 1.00 73.32 N ATOM 169 CA GLN A 12 -11.064 13.896 -24.335 1.00 11.54 C ATOM 170 C GLN A 12 -11.990 14.180 -25.513 1.00 12.33 C ATOM 171 O GLN A 12 -11.800 13.647 -26.605 1.00 54.22 O ATOM 172 CB GLN A 12 -9.732 14.623 -24.531 1.00 33.10 C ATOM 173 CG GLN A 12 -8.887 14.050 -25.657 1.00 53.34 C ATOM 174 CD GLN A 12 -7.619 13.388 -25.157 1.00 2.03 C ATOM 175 OE1 GLN A 12 -7.531 12.985 -23.996 1.00 54.34 O ATOM 176 NE2 GLN A 12 -6.627 13.271 -26.031 1.00 44.45 N ATOM 0 H GLN A 12 -10.029 12.107 -24.684 1.00 73.32 H new ATOM 0 HA GLN A 12 -11.540 14.263 -23.426 1.00 11.54 H new ATOM 0 HB2 GLN A 12 -9.929 15.676 -24.735 1.00 33.10 H new ATOM 0 HB3 GLN A 12 -9.163 14.579 -23.602 1.00 33.10 H new ATOM 0 HG2 GLN A 12 -9.477 13.322 -26.214 1.00 53.34 H new ATOM 0 HG3 GLN A 12 -8.626 14.848 -26.352 1.00 53.34 H new ATOM 0 HE21 GLN A 12 -6.742 13.619 -26.983 1.00 44.45 H new ATOM 0 HE22 GLN A 12 -5.749 12.833 -25.751 1.00 44.45 H new ATOM 185 N GLU A 13 -12.992 15.023 -25.282 1.00 32.02 N ATOM 186 CA GLU A 13 -13.948 15.376 -26.325 1.00 32.12 C ATOM 187 C GLU A 13 -13.706 16.796 -26.827 1.00 2.41 C ATOM 188 O GLU A 13 -13.144 17.641 -26.129 1.00 64.14 O ATOM 189 CB GLU A 13 -15.380 15.246 -25.800 1.00 62.05 C ATOM 190 CG GLU A 13 -16.111 14.021 -26.324 1.00 51.54 C ATOM 191 CD GLU A 13 -16.265 12.939 -25.273 1.00 42.52 C ATOM 192 OE1 GLU A 13 -15.273 12.231 -25.001 1.00 34.11 O ATOM 193 OE2 GLU A 13 -17.377 12.802 -24.723 1.00 34.13 O ATOM 0 H GLU A 13 -13.162 15.474 -24.383 1.00 32.02 H new ATOM 0 HA GLU A 13 -13.810 14.686 -27.158 1.00 32.12 H new ATOM 0 HB2 GLU A 13 -15.357 15.207 -24.711 1.00 62.05 H new ATOM 0 HB3 GLU A 13 -15.941 16.139 -26.075 1.00 62.05 H new ATOM 0 HG2 GLU A 13 -17.097 14.317 -26.683 1.00 51.54 H new ATOM 0 HG3 GLU A 13 -15.569 13.617 -27.179 1.00 51.54 H new ATOM 200 N PRO A 14 -14.139 17.067 -28.067 1.00 53.20 N ATOM 201 CA PRO A 14 -13.981 18.384 -28.691 1.00 41.10 C ATOM 202 C PRO A 14 -14.868 19.442 -28.044 1.00 41.54 C ATOM 203 O PRO A 14 -16.066 19.232 -27.854 1.00 60.22 O ATOM 204 CB PRO A 14 -14.407 18.143 -30.141 1.00 62.14 C ATOM 205 CG PRO A 14 -15.326 16.972 -30.077 1.00 2.24 C ATOM 206 CD PRO A 14 -14.818 16.109 -28.955 1.00 61.43 C ATOM 0 HA PRO A 14 -12.965 18.764 -28.589 1.00 41.10 H new ATOM 0 HB2 PRO A 14 -14.908 19.017 -30.557 1.00 62.14 H new ATOM 0 HB3 PRO A 14 -13.546 17.936 -30.777 1.00 62.14 H new ATOM 0 HG2 PRO A 14 -16.352 17.290 -29.891 1.00 2.24 H new ATOM 0 HG3 PRO A 14 -15.328 16.425 -31.020 1.00 2.24 H new ATOM 0 HD2 PRO A 14 -15.632 15.595 -28.444 1.00 61.43 H new ATOM 0 HD3 PRO A 14 -14.133 15.342 -29.317 1.00 61.43 H new ATOM 214 N LYS A 15 -14.273 20.582 -27.708 1.00 63.23 N ATOM 215 CA LYS A 15 -15.008 21.675 -27.084 1.00 55.13 C ATOM 216 C LYS A 15 -14.103 22.882 -26.860 1.00 53.24 C ATOM 217 O LYS A 15 -14.159 23.860 -27.607 1.00 25.22 O ATOM 218 CB LYS A 15 -15.607 21.219 -25.752 1.00 12.02 C ATOM 219 CG LYS A 15 -17.124 21.146 -25.760 1.00 13.32 C ATOM 220 CD LYS A 15 -17.748 22.528 -25.859 1.00 53.22 C ATOM 221 CE LYS A 15 -19.203 22.516 -25.414 1.00 5.53 C ATOM 222 NZ LYS A 15 -20.123 22.911 -26.516 1.00 34.53 N ATOM 0 H LYS A 15 -13.282 20.773 -27.858 1.00 63.23 H new ATOM 0 HA LYS A 15 -15.814 21.968 -27.757 1.00 55.13 H new ATOM 0 HB2 LYS A 15 -15.206 20.237 -25.500 1.00 12.02 H new ATOM 0 HB3 LYS A 15 -15.289 21.905 -24.967 1.00 12.02 H new ATOM 0 HG2 LYS A 15 -17.455 20.535 -26.600 1.00 13.32 H new ATOM 0 HG3 LYS A 15 -17.470 20.654 -24.851 1.00 13.32 H new ATOM 0 HD2 LYS A 15 -17.184 23.228 -25.243 1.00 53.22 H new ATOM 0 HD3 LYS A 15 -17.684 22.885 -26.887 1.00 53.22 H new ATOM 0 HE2 LYS A 15 -19.467 21.519 -25.061 1.00 5.53 H new ATOM 0 HE3 LYS A 15 -19.331 23.197 -24.572 1.00 5.53 H new ATOM 0 HZ1 LYS A 15 -21.105 22.890 -26.173 1.00 34.53 H new ATOM 0 HZ2 LYS A 15 -19.888 23.872 -26.836 1.00 34.53 H new ATOM 0 HZ3 LYS A 15 -20.020 22.247 -27.309 1.00 34.53 H new ATOM 236 N LYS A 16 -13.269 22.807 -25.829 1.00 11.21 N ATOM 237 CA LYS A 16 -12.349 23.892 -25.508 1.00 33.03 C ATOM 238 C LYS A 16 -13.058 25.241 -25.565 1.00 13.35 C ATOM 239 O LYS A 16 -12.789 26.058 -26.445 1.00 41.14 O ATOM 240 CB LYS A 16 -11.163 23.886 -26.475 1.00 34.11 C ATOM 241 CG LYS A 16 -9.920 23.224 -25.908 1.00 25.30 C ATOM 242 CD LYS A 16 -9.019 24.231 -25.212 1.00 74.04 C ATOM 243 CE LYS A 16 -9.752 24.953 -24.092 1.00 53.12 C ATOM 244 NZ LYS A 16 -8.860 25.898 -23.364 1.00 72.34 N ATOM 0 H LYS A 16 -13.211 22.006 -25.201 1.00 11.21 H new ATOM 0 HA LYS A 16 -11.983 23.736 -24.493 1.00 33.03 H new ATOM 0 HB2 LYS A 16 -11.454 23.370 -27.390 1.00 34.11 H new ATOM 0 HB3 LYS A 16 -10.924 24.913 -26.750 1.00 34.11 H new ATOM 0 HG2 LYS A 16 -10.211 22.446 -25.202 1.00 25.30 H new ATOM 0 HG3 LYS A 16 -9.369 22.735 -26.711 1.00 25.30 H new ATOM 0 HD2 LYS A 16 -8.146 23.720 -24.807 1.00 74.04 H new ATOM 0 HD3 LYS A 16 -8.655 24.958 -25.938 1.00 74.04 H new ATOM 0 HE2 LYS A 16 -10.600 25.499 -24.506 1.00 53.12 H new ATOM 0 HE3 LYS A 16 -10.155 24.222 -23.392 1.00 53.12 H new ATOM 0 HZ1 LYS A 16 -9.397 26.370 -22.609 1.00 72.34 H new ATOM 0 HZ2 LYS A 16 -8.065 25.373 -22.947 1.00 72.34 H new ATOM 0 HZ3 LYS A 16 -8.495 26.611 -24.027 1.00 72.34 H new ATOM 258 N ASP A 17 -13.964 25.469 -24.620 1.00 22.15 N ATOM 259 CA ASP A 17 -14.710 26.721 -24.561 1.00 24.32 C ATOM 260 C ASP A 17 -14.575 27.370 -23.187 1.00 24.32 C ATOM 261 O ASP A 17 -14.920 26.769 -22.169 1.00 4.12 O ATOM 262 CB ASP A 17 -16.185 26.475 -24.880 1.00 11.40 C ATOM 263 CG ASP A 17 -16.661 27.279 -26.074 1.00 45.42 C ATOM 264 OD1 ASP A 17 -16.275 26.937 -27.211 1.00 62.41 O ATOM 265 OD2 ASP A 17 -17.418 28.252 -25.872 1.00 4.03 O ATOM 0 H ASP A 17 -14.200 24.803 -23.884 1.00 22.15 H new ATOM 0 HA ASP A 17 -14.293 27.399 -25.305 1.00 24.32 H new ATOM 0 HB2 ASP A 17 -16.339 25.414 -25.075 1.00 11.40 H new ATOM 0 HB3 ASP A 17 -16.789 26.730 -24.010 1.00 11.40 H new ATOM 270 N TYR A 18 -14.070 28.598 -23.166 1.00 1.24 N ATOM 271 CA TYR A 18 -13.886 29.327 -21.917 1.00 1.45 C ATOM 272 C TYR A 18 -14.314 30.784 -22.068 1.00 21.11 C ATOM 273 O TYR A 18 -14.289 31.340 -23.167 1.00 20.03 O ATOM 274 CB TYR A 18 -12.424 29.257 -21.471 1.00 52.43 C ATOM 275 CG TYR A 18 -11.568 30.373 -22.026 1.00 50.23 C ATOM 276 CD1 TYR A 18 -11.057 30.308 -23.317 1.00 31.34 C ATOM 277 CD2 TYR A 18 -11.271 31.494 -21.260 1.00 61.23 C ATOM 278 CE1 TYR A 18 -10.274 31.325 -23.827 1.00 61.53 C ATOM 279 CE2 TYR A 18 -10.490 32.516 -21.763 1.00 44.23 C ATOM 280 CZ TYR A 18 -9.993 32.427 -23.047 1.00 31.30 C ATOM 281 OH TYR A 18 -9.214 33.442 -23.553 1.00 15.44 O ATOM 0 H TYR A 18 -13.781 29.110 -24.000 1.00 1.24 H new ATOM 0 HA TYR A 18 -14.513 28.860 -21.158 1.00 1.45 H new ATOM 0 HB2 TYR A 18 -12.383 29.286 -20.382 1.00 52.43 H new ATOM 0 HB3 TYR A 18 -12.004 28.300 -21.780 1.00 52.43 H new ATOM 0 HD1 TYR A 18 -11.276 29.448 -23.932 1.00 31.34 H new ATOM 0 HD2 TYR A 18 -11.658 31.567 -20.254 1.00 61.23 H new ATOM 0 HE1 TYR A 18 -9.884 31.258 -24.832 1.00 61.53 H new ATOM 0 HE2 TYR A 18 -10.269 33.380 -21.154 1.00 44.23 H new ATOM 0 HH TYR A 18 -9.112 34.144 -22.877 1.00 15.44 H new ATOM 291 N LEU A 19 -14.706 31.397 -20.956 1.00 61.24 N ATOM 292 CA LEU A 19 -15.139 32.790 -20.963 1.00 33.20 C ATOM 293 C LEU A 19 -13.961 33.728 -20.721 1.00 60.22 C ATOM 294 O LEU A 19 -13.049 33.412 -19.956 1.00 53.25 O ATOM 295 CB LEU A 19 -16.213 33.016 -19.897 1.00 24.53 C ATOM 296 CG LEU A 19 -17.662 32.973 -20.383 1.00 64.04 C ATOM 297 CD1 LEU A 19 -18.614 32.803 -19.210 1.00 50.11 C ATOM 298 CD2 LEU A 19 -17.998 34.233 -21.168 1.00 21.13 C ATOM 0 H LEU A 19 -14.733 30.952 -20.039 1.00 61.24 H new ATOM 0 HA LEU A 19 -15.558 33.009 -21.945 1.00 33.20 H new ATOM 0 HB2 LEU A 19 -16.089 32.262 -19.120 1.00 24.53 H new ATOM 0 HB3 LEU A 19 -16.036 33.986 -19.431 1.00 24.53 H new ATOM 0 HG LEU A 19 -17.778 32.115 -21.045 1.00 64.04 H new ATOM 0 HD11 LEU A 19 -19.640 32.775 -19.576 1.00 50.11 H new ATOM 0 HD12 LEU A 19 -18.388 31.872 -18.690 1.00 50.11 H new ATOM 0 HD13 LEU A 19 -18.497 33.640 -18.522 1.00 50.11 H new ATOM 0 HD21 LEU A 19 -19.033 34.186 -21.506 1.00 21.13 H new ATOM 0 HD22 LEU A 19 -17.865 35.106 -20.529 1.00 21.13 H new ATOM 0 HD23 LEU A 19 -17.337 34.311 -22.031 1.00 21.13 H new ATOM 310 N VAL A 20 -13.987 34.884 -21.377 1.00 33.12 N ATOM 311 CA VAL A 20 -12.923 35.870 -21.231 1.00 33.11 C ATOM 312 C VAL A 20 -12.671 36.193 -19.762 1.00 61.34 C ATOM 313 O VAL A 20 -13.607 36.393 -18.990 1.00 53.52 O ATOM 314 CB VAL A 20 -13.258 37.173 -21.981 1.00 75.42 C ATOM 315 CG1 VAL A 20 -12.081 38.134 -21.935 1.00 64.10 C ATOM 316 CG2 VAL A 20 -13.656 36.872 -23.419 1.00 22.15 C ATOM 0 H VAL A 20 -14.733 35.160 -22.015 1.00 33.12 H new ATOM 0 HA VAL A 20 -12.024 35.431 -21.664 1.00 33.11 H new ATOM 0 HB VAL A 20 -14.104 37.650 -21.486 1.00 75.42 H new ATOM 0 HG11 VAL A 20 -12.337 39.048 -22.470 1.00 64.10 H new ATOM 0 HG12 VAL A 20 -11.847 38.374 -20.898 1.00 64.10 H new ATOM 0 HG13 VAL A 20 -11.214 37.670 -22.404 1.00 64.10 H new ATOM 0 HG21 VAL A 20 -13.889 37.804 -23.935 1.00 22.15 H new ATOM 0 HG22 VAL A 20 -12.832 36.372 -23.928 1.00 22.15 H new ATOM 0 HG23 VAL A 20 -14.532 36.224 -23.426 1.00 22.15 H new ATOM 326 N GLY A 21 -11.397 36.242 -19.383 1.00 73.42 N ATOM 327 CA GLY A 21 -11.044 36.541 -18.008 1.00 21.12 C ATOM 328 C GLY A 21 -10.950 35.295 -17.149 1.00 42.41 C ATOM 329 O GLY A 21 -10.399 35.332 -16.049 1.00 21.03 O ATOM 0 H GLY A 21 -10.604 36.080 -20.004 1.00 73.42 H new ATOM 0 HA2 GLY A 21 -10.089 37.066 -17.987 1.00 21.12 H new ATOM 0 HA3 GLY A 21 -11.788 37.216 -17.584 1.00 21.12 H new ATOM 333 N ASP A 22 -11.490 34.190 -17.651 1.00 41.52 N ATOM 334 CA ASP A 22 -11.465 32.928 -16.922 1.00 71.32 C ATOM 335 C ASP A 22 -10.173 32.165 -17.200 1.00 13.32 C ATOM 336 O ASP A 22 -9.768 31.305 -16.418 1.00 11.32 O ATOM 337 CB ASP A 22 -12.671 32.069 -17.306 1.00 12.02 C ATOM 338 CG ASP A 22 -13.989 32.776 -17.055 1.00 44.22 C ATOM 339 OD1 ASP A 22 -14.219 33.837 -17.672 1.00 43.10 O ATOM 340 OD2 ASP A 22 -14.789 32.269 -16.241 1.00 52.25 O ATOM 0 H ASP A 22 -11.950 34.143 -18.560 1.00 41.52 H new ATOM 0 HA ASP A 22 -11.512 33.152 -15.856 1.00 71.32 H new ATOM 0 HB2 ASP A 22 -12.601 31.800 -18.360 1.00 12.02 H new ATOM 0 HB3 ASP A 22 -12.647 31.139 -16.738 1.00 12.02 H new ATOM 345 N SER A 23 -9.532 32.486 -18.319 1.00 24.02 N ATOM 346 CA SER A 23 -8.288 31.828 -18.702 1.00 72.23 C ATOM 347 C SER A 23 -8.492 30.323 -18.845 1.00 23.53 C ATOM 348 O SER A 23 -8.331 29.569 -17.884 1.00 22.31 O ATOM 349 CB SER A 23 -7.197 32.111 -17.668 1.00 63.24 C ATOM 350 OG SER A 23 -7.381 33.380 -17.067 1.00 11.44 O ATOM 0 H SER A 23 -9.853 33.197 -18.976 1.00 24.02 H new ATOM 0 HA SER A 23 -7.976 32.228 -19.667 1.00 72.23 H new ATOM 0 HB2 SER A 23 -7.209 31.337 -16.901 1.00 63.24 H new ATOM 0 HB3 SER A 23 -6.219 32.070 -18.147 1.00 63.24 H new ATOM 0 HG SER A 23 -6.672 33.536 -16.409 1.00 11.44 H new ATOM 356 N LEU A 24 -8.847 29.891 -20.050 1.00 2.50 N ATOM 357 CA LEU A 24 -9.073 28.476 -20.320 1.00 60.13 C ATOM 358 C LEU A 24 -10.223 27.937 -19.475 1.00 40.15 C ATOM 359 O LEU A 24 -10.616 28.549 -18.482 1.00 31.41 O ATOM 360 CB LEU A 24 -7.801 27.674 -20.041 1.00 62.45 C ATOM 361 CG LEU A 24 -6.545 28.127 -20.786 1.00 45.10 C ATOM 362 CD1 LEU A 24 -5.840 29.235 -20.018 1.00 64.43 C ATOM 363 CD2 LEU A 24 -5.605 26.951 -21.013 1.00 13.54 C ATOM 0 H LEU A 24 -8.985 30.501 -20.856 1.00 2.50 H new ATOM 0 HA LEU A 24 -9.339 28.370 -21.372 1.00 60.13 H new ATOM 0 HB2 LEU A 24 -7.598 27.713 -18.971 1.00 62.45 H new ATOM 0 HB3 LEU A 24 -7.991 26.630 -20.291 1.00 62.45 H new ATOM 0 HG LEU A 24 -6.844 28.519 -21.758 1.00 45.10 H new ATOM 0 HD11 LEU A 24 -4.948 29.545 -20.563 1.00 64.43 H new ATOM 0 HD12 LEU A 24 -6.512 30.086 -19.908 1.00 64.43 H new ATOM 0 HD13 LEU A 24 -5.554 28.869 -19.032 1.00 64.43 H new ATOM 0 HD21 LEU A 24 -4.717 27.293 -21.545 1.00 13.54 H new ATOM 0 HD22 LEU A 24 -5.313 26.528 -20.052 1.00 13.54 H new ATOM 0 HD23 LEU A 24 -6.112 26.189 -21.605 1.00 13.54 H new ATOM 375 N ASP A 25 -10.757 26.788 -19.876 1.00 4.41 N ATOM 376 CA ASP A 25 -11.860 26.165 -19.154 1.00 24.12 C ATOM 377 C ASP A 25 -12.191 24.797 -19.743 1.00 41.43 C ATOM 378 O ASP A 25 -13.346 24.370 -19.737 1.00 53.34 O ATOM 379 CB ASP A 25 -13.096 27.064 -19.193 1.00 51.21 C ATOM 380 CG ASP A 25 -14.191 26.585 -18.260 1.00 25.20 C ATOM 381 OD1 ASP A 25 -13.885 26.299 -17.083 1.00 45.31 O ATOM 382 OD2 ASP A 25 -15.353 26.496 -18.706 1.00 73.12 O ATOM 0 H ASP A 25 -10.444 26.270 -20.697 1.00 4.41 H new ATOM 0 HA ASP A 25 -11.552 26.029 -18.117 1.00 24.12 H new ATOM 0 HB2 ASP A 25 -12.811 28.081 -18.922 1.00 51.21 H new ATOM 0 HB3 ASP A 25 -13.482 27.102 -20.212 1.00 51.21 H new ATOM 387 N LEU A 26 -11.171 24.116 -20.252 1.00 61.45 N ATOM 388 CA LEU A 26 -11.353 22.796 -20.847 1.00 54.13 C ATOM 389 C LEU A 26 -12.004 21.837 -19.856 1.00 31.04 C ATOM 390 O LEU A 26 -11.428 21.519 -18.815 1.00 14.50 O ATOM 391 CB LEU A 26 -10.009 22.234 -21.311 1.00 63.50 C ATOM 392 CG LEU A 26 -10.063 20.913 -22.080 1.00 42.12 C ATOM 393 CD1 LEU A 26 -11.060 21.003 -23.225 1.00 21.41 C ATOM 394 CD2 LEU A 26 -8.682 20.542 -22.601 1.00 41.31 C ATOM 0 H LEU A 26 -10.209 24.455 -20.265 1.00 61.45 H new ATOM 0 HA LEU A 26 -12.012 22.901 -21.709 1.00 54.13 H new ATOM 0 HB2 LEU A 26 -9.525 22.979 -21.942 1.00 63.50 H new ATOM 0 HB3 LEU A 26 -9.374 22.096 -20.436 1.00 63.50 H new ATOM 0 HG LEU A 26 -10.394 20.130 -21.397 1.00 42.12 H new ATOM 0 HD11 LEU A 26 -11.085 20.054 -23.761 1.00 21.41 H new ATOM 0 HD12 LEU A 26 -12.051 21.222 -22.828 1.00 21.41 H new ATOM 0 HD13 LEU A 26 -10.759 21.798 -23.908 1.00 21.41 H new ATOM 0 HD21 LEU A 26 -8.740 19.599 -23.145 1.00 41.31 H new ATOM 0 HD22 LEU A 26 -8.322 21.325 -23.268 1.00 41.31 H new ATOM 0 HD23 LEU A 26 -7.993 20.435 -21.763 1.00 41.31 H new ATOM 406 N SER A 27 -13.206 21.377 -20.187 1.00 15.32 N ATOM 407 CA SER A 27 -13.936 20.455 -19.325 1.00 14.24 C ATOM 408 C SER A 27 -14.141 19.111 -20.017 1.00 21.15 C ATOM 409 O SER A 27 -14.191 18.068 -19.366 1.00 22.22 O ATOM 410 CB SER A 27 -15.290 21.052 -18.934 1.00 60.12 C ATOM 411 OG SER A 27 -15.487 20.995 -17.532 1.00 73.31 O ATOM 0 H SER A 27 -13.695 21.628 -21.046 1.00 15.32 H new ATOM 0 HA SER A 27 -13.344 20.294 -18.424 1.00 14.24 H new ATOM 0 HB2 SER A 27 -15.345 22.087 -19.270 1.00 60.12 H new ATOM 0 HB3 SER A 27 -16.089 20.510 -19.439 1.00 60.12 H new ATOM 0 HG SER A 27 -16.358 21.384 -17.308 1.00 73.31 H new ATOM 417 N GLU A 28 -14.259 19.146 -21.340 1.00 65.42 N ATOM 418 CA GLU A 28 -14.459 17.930 -22.121 1.00 4.32 C ATOM 419 C GLU A 28 -13.130 17.224 -22.378 1.00 15.10 C ATOM 420 O GLU A 28 -13.099 16.040 -22.711 1.00 43.45 O ATOM 421 CB GLU A 28 -15.140 18.258 -23.451 1.00 13.22 C ATOM 422 CG GLU A 28 -16.586 18.701 -23.301 1.00 32.42 C ATOM 423 CD GLU A 28 -17.419 17.712 -22.508 1.00 55.14 C ATOM 424 OE1 GLU A 28 -17.455 17.827 -21.266 1.00 13.53 O ATOM 425 OE2 GLU A 28 -18.036 16.823 -23.132 1.00 71.11 O ATOM 0 H GLU A 28 -14.220 20.002 -21.894 1.00 65.42 H new ATOM 0 HA GLU A 28 -15.101 17.262 -21.547 1.00 4.32 H new ATOM 0 HB2 GLU A 28 -14.578 19.045 -23.953 1.00 13.22 H new ATOM 0 HB3 GLU A 28 -15.103 17.379 -24.095 1.00 13.22 H new ATOM 0 HG2 GLU A 28 -16.615 19.673 -22.808 1.00 32.42 H new ATOM 0 HG3 GLU A 28 -17.027 18.832 -24.289 1.00 32.42 H new ATOM 432 N GLY A 29 -12.035 17.961 -22.221 1.00 22.13 N ATOM 433 CA GLY A 29 -10.719 17.390 -22.440 1.00 61.33 C ATOM 434 C GLY A 29 -10.210 16.626 -21.234 1.00 63.11 C ATOM 435 O GLY A 29 -9.243 17.038 -20.593 1.00 64.32 O ATOM 0 H GLY A 29 -12.036 18.943 -21.946 1.00 22.13 H new ATOM 0 HA2 GLY A 29 -10.755 16.722 -23.301 1.00 61.33 H new ATOM 0 HA3 GLY A 29 -10.017 18.187 -22.684 1.00 61.33 H new ATOM 439 N ARG A 30 -10.863 15.511 -20.923 1.00 3.13 N ATOM 440 CA ARG A 30 -10.472 14.690 -19.783 1.00 70.33 C ATOM 441 C ARG A 30 -9.894 13.356 -20.247 1.00 45.14 C ATOM 442 O ARG A 30 -10.213 12.873 -21.334 1.00 12.22 O ATOM 443 CB ARG A 30 -11.673 14.446 -18.868 1.00 20.24 C ATOM 444 CG ARG A 30 -12.637 13.395 -19.394 1.00 51.43 C ATOM 445 CD ARG A 30 -14.081 13.860 -19.285 1.00 60.04 C ATOM 446 NE ARG A 30 -15.020 12.840 -19.744 1.00 52.13 N ATOM 447 CZ ARG A 30 -15.382 11.792 -19.013 1.00 12.02 C ATOM 448 NH1 ARG A 30 -14.887 11.627 -17.794 1.00 64.12 N ATOM 449 NH2 ARG A 30 -16.242 10.907 -19.500 1.00 32.30 N ATOM 0 H ARG A 30 -11.665 15.156 -21.444 1.00 3.13 H new ATOM 0 HA ARG A 30 -9.703 15.227 -19.227 1.00 70.33 H new ATOM 0 HB2 ARG A 30 -11.314 14.138 -17.886 1.00 20.24 H new ATOM 0 HB3 ARG A 30 -12.211 15.384 -18.731 1.00 20.24 H new ATOM 0 HG2 ARG A 30 -12.403 13.173 -20.435 1.00 51.43 H new ATOM 0 HG3 ARG A 30 -12.508 12.469 -18.834 1.00 51.43 H new ATOM 0 HD2 ARG A 30 -14.302 14.116 -18.249 1.00 60.04 H new ATOM 0 HD3 ARG A 30 -14.215 14.768 -19.874 1.00 60.04 H new ATOM 0 HE ARG A 30 -15.420 12.938 -20.677 1.00 52.13 H new ATOM 0 HH11 ARG A 30 -14.226 12.306 -17.416 1.00 64.12 H new ATOM 0 HH12 ARG A 30 -15.167 10.821 -17.235 1.00 64.12 H new ATOM 0 HH21 ARG A 30 -16.626 11.031 -20.437 1.00 32.30 H new ATOM 0 HH22 ARG A 30 -16.519 10.102 -18.938 1.00 32.30 H new ATOM 463 N PHE A 31 -9.040 12.766 -19.417 1.00 11.21 N ATOM 464 CA PHE A 31 -8.416 11.489 -19.742 1.00 44.34 C ATOM 465 C PHE A 31 -8.596 10.490 -18.604 1.00 33.41 C ATOM 466 O PHE A 31 -8.669 10.870 -17.436 1.00 22.43 O ATOM 467 CB PHE A 31 -6.926 11.685 -20.032 1.00 51.35 C ATOM 468 CG PHE A 31 -6.298 12.787 -19.227 1.00 73.31 C ATOM 469 CD1 PHE A 31 -6.132 12.653 -17.858 1.00 44.41 C ATOM 470 CD2 PHE A 31 -5.875 13.956 -19.839 1.00 35.20 C ATOM 471 CE1 PHE A 31 -5.554 13.665 -17.114 1.00 21.10 C ATOM 472 CE2 PHE A 31 -5.297 14.970 -19.100 1.00 42.42 C ATOM 473 CZ PHE A 31 -5.137 14.825 -17.736 1.00 0.41 C ATOM 0 H PHE A 31 -8.764 13.152 -18.514 1.00 11.21 H new ATOM 0 HA PHE A 31 -8.904 11.091 -20.632 1.00 44.34 H new ATOM 0 HB2 PHE A 31 -6.399 10.753 -19.830 1.00 51.35 H new ATOM 0 HB3 PHE A 31 -6.796 11.901 -21.092 1.00 51.35 H new ATOM 0 HD1 PHE A 31 -6.458 11.748 -17.367 1.00 44.41 H new ATOM 0 HD2 PHE A 31 -5.999 14.076 -20.905 1.00 35.20 H new ATOM 0 HE1 PHE A 31 -5.429 13.548 -16.048 1.00 21.10 H new ATOM 0 HE2 PHE A 31 -4.970 15.876 -19.589 1.00 42.42 H new ATOM 0 HZ PHE A 31 -4.687 15.618 -17.157 1.00 0.41 H new ATOM 483 N ALA A 32 -8.669 9.210 -18.954 1.00 61.33 N ATOM 484 CA ALA A 32 -8.840 8.155 -17.963 1.00 63.20 C ATOM 485 C ALA A 32 -7.553 7.355 -17.785 1.00 13.53 C ATOM 486 O ALA A 32 -6.835 7.093 -18.749 1.00 44.43 O ATOM 487 CB ALA A 32 -9.984 7.235 -18.363 1.00 22.10 C ATOM 0 H ALA A 32 -8.612 8.879 -19.917 1.00 61.33 H new ATOM 0 HA ALA A 32 -9.081 8.623 -17.009 1.00 63.20 H new ATOM 0 HB1 ALA A 32 -10.100 6.452 -17.614 1.00 22.10 H new ATOM 0 HB2 ALA A 32 -10.907 7.811 -18.432 1.00 22.10 H new ATOM 0 HB3 ALA A 32 -9.766 6.782 -19.330 1.00 22.10 H new ATOM 493 N VAL A 33 -7.268 6.971 -16.545 1.00 30.13 N ATOM 494 CA VAL A 33 -6.068 6.201 -16.240 1.00 60.11 C ATOM 495 C VAL A 33 -6.404 4.962 -15.417 1.00 41.40 C ATOM 496 O VAL A 33 -7.203 5.023 -14.483 1.00 4.42 O ATOM 497 CB VAL A 33 -5.036 7.049 -15.473 1.00 54.30 C ATOM 498 CG1 VAL A 33 -4.340 8.022 -16.413 1.00 13.13 C ATOM 499 CG2 VAL A 33 -5.705 7.790 -14.325 1.00 3.22 C ATOM 0 H VAL A 33 -7.852 7.181 -15.735 1.00 30.13 H new ATOM 0 HA VAL A 33 -5.638 5.895 -17.194 1.00 60.11 H new ATOM 0 HB VAL A 33 -4.281 6.383 -15.055 1.00 54.30 H new ATOM 0 HG11 VAL A 33 -3.615 8.613 -15.853 1.00 13.13 H new ATOM 0 HG12 VAL A 33 -3.827 7.466 -17.198 1.00 13.13 H new ATOM 0 HG13 VAL A 33 -5.079 8.686 -16.862 1.00 13.13 H new ATOM 0 HG21 VAL A 33 -4.962 8.384 -13.793 1.00 3.22 H new ATOM 0 HG22 VAL A 33 -6.481 8.447 -14.719 1.00 3.22 H new ATOM 0 HG23 VAL A 33 -6.152 7.071 -13.639 1.00 3.22 H new ATOM 509 N ALA A 34 -5.788 3.839 -15.770 1.00 60.03 N ATOM 510 CA ALA A 34 -6.020 2.586 -15.063 1.00 24.23 C ATOM 511 C ALA A 34 -4.855 2.256 -14.135 1.00 70.22 C ATOM 512 O ALA A 34 -3.703 2.194 -14.566 1.00 54.54 O ATOM 513 CB ALA A 34 -6.244 1.454 -16.054 1.00 75.21 C ATOM 0 H ALA A 34 -5.124 3.771 -16.542 1.00 60.03 H new ATOM 0 HA ALA A 34 -6.916 2.702 -14.453 1.00 24.23 H new ATOM 0 HB1 ALA A 34 -6.416 0.524 -15.512 1.00 75.21 H new ATOM 0 HB2 ALA A 34 -7.112 1.679 -16.673 1.00 75.21 H new ATOM 0 HB3 ALA A 34 -5.364 1.346 -16.688 1.00 75.21 H new ATOM 519 N TYR A 35 -5.162 2.045 -12.860 1.00 61.12 N ATOM 520 CA TYR A 35 -4.140 1.724 -11.871 1.00 2.20 C ATOM 521 C TYR A 35 -3.898 0.219 -11.805 1.00 53.24 C ATOM 522 O TYR A 35 -4.815 -0.577 -12.005 1.00 72.35 O ATOM 523 CB TYR A 35 -4.552 2.246 -10.494 1.00 2.45 C ATOM 524 CG TYR A 35 -3.440 2.197 -9.470 1.00 32.42 C ATOM 525 CD1 TYR A 35 -2.131 2.501 -9.822 1.00 0.41 C ATOM 526 CD2 TYR A 35 -3.699 1.844 -8.151 1.00 64.21 C ATOM 527 CE1 TYR A 35 -1.112 2.457 -8.890 1.00 61.42 C ATOM 528 CE2 TYR A 35 -2.686 1.798 -7.212 1.00 71.25 C ATOM 529 CZ TYR A 35 -1.395 2.105 -7.587 1.00 25.22 C ATOM 530 OH TYR A 35 -0.383 2.059 -6.655 1.00 61.21 O ATOM 0 H TYR A 35 -6.110 2.090 -12.487 1.00 61.12 H new ATOM 0 HA TYR A 35 -3.212 2.209 -12.174 1.00 2.20 H new ATOM 0 HB2 TYR A 35 -4.898 3.275 -10.593 1.00 2.45 H new ATOM 0 HB3 TYR A 35 -5.396 1.660 -10.130 1.00 2.45 H new ATOM 0 HD1 TYR A 35 -1.906 2.776 -10.842 1.00 0.41 H new ATOM 0 HD2 TYR A 35 -4.709 1.602 -7.855 1.00 64.21 H new ATOM 0 HE1 TYR A 35 -0.100 2.697 -9.180 1.00 61.42 H new ATOM 0 HE2 TYR A 35 -2.904 1.523 -6.191 1.00 71.25 H new ATOM 0 HH TYR A 35 -0.751 1.795 -5.786 1.00 61.21 H new ATOM 540 N SER A 36 -2.657 -0.162 -11.523 1.00 21.52 N ATOM 541 CA SER A 36 -2.292 -1.571 -11.433 1.00 70.44 C ATOM 542 C SER A 36 -3.044 -2.256 -10.296 1.00 73.34 C ATOM 543 O SER A 36 -3.112 -3.483 -10.233 1.00 1.02 O ATOM 544 CB SER A 36 -0.784 -1.717 -11.223 1.00 23.13 C ATOM 545 OG SER A 36 -0.274 -2.830 -11.937 1.00 32.14 O ATOM 0 H SER A 36 -1.887 0.485 -11.353 1.00 21.52 H new ATOM 0 HA SER A 36 -2.569 -2.053 -12.371 1.00 70.44 H new ATOM 0 HB2 SER A 36 -0.279 -0.808 -11.551 1.00 23.13 H new ATOM 0 HB3 SER A 36 -0.572 -1.834 -10.160 1.00 23.13 H new ATOM 0 HG SER A 36 0.692 -2.900 -11.787 1.00 32.14 H new ATOM 551 N ASN A 37 -3.608 -1.453 -9.400 1.00 74.13 N ATOM 552 CA ASN A 37 -4.356 -1.981 -8.264 1.00 42.44 C ATOM 553 C ASN A 37 -5.843 -2.079 -8.590 1.00 51.41 C ATOM 554 O ASN A 37 -6.688 -2.056 -7.695 1.00 1.31 O ATOM 555 CB ASN A 37 -4.149 -1.094 -7.035 1.00 1.31 C ATOM 556 CG ASN A 37 -4.439 -1.825 -5.739 1.00 32.42 C ATOM 557 OD1 ASN A 37 -5.263 -1.386 -4.936 1.00 61.21 O ATOM 558 ND2 ASN A 37 -3.762 -2.948 -5.529 1.00 4.14 N ATOM 0 H ASN A 37 -3.562 -0.435 -9.438 1.00 74.13 H new ATOM 0 HA ASN A 37 -3.983 -2.982 -8.048 1.00 42.44 H new ATOM 0 HB2 ASN A 37 -3.122 -0.730 -7.022 1.00 1.31 H new ATOM 0 HB3 ASN A 37 -4.796 -0.220 -7.108 1.00 1.31 H new ATOM 0 HD21 ASN A 37 -3.915 -3.484 -4.675 1.00 4.14 H new ATOM 0 HD22 ASN A 37 -3.089 -3.275 -6.222 1.00 4.14 H new ATOM 565 N ASP A 38 -6.155 -2.188 -9.877 1.00 32.43 N ATOM 566 CA ASP A 38 -7.540 -2.292 -10.321 1.00 52.23 C ATOM 567 C ASP A 38 -8.330 -1.046 -9.932 1.00 73.31 C ATOM 568 O ASP A 38 -9.204 -1.097 -9.066 1.00 33.11 O ATOM 569 CB ASP A 38 -8.199 -3.536 -9.723 1.00 64.14 C ATOM 570 CG ASP A 38 -8.094 -4.742 -10.636 1.00 45.13 C ATOM 571 OD1 ASP A 38 -6.979 -5.288 -10.772 1.00 4.51 O ATOM 572 OD2 ASP A 38 -9.126 -5.140 -11.216 1.00 10.41 O ATOM 0 H ASP A 38 -5.468 -2.207 -10.631 1.00 32.43 H new ATOM 0 HA ASP A 38 -7.541 -2.377 -11.408 1.00 52.23 H new ATOM 0 HB2 ASP A 38 -7.731 -3.767 -8.766 1.00 64.14 H new ATOM 0 HB3 ASP A 38 -9.250 -3.326 -9.522 1.00 64.14 H new ATOM 577 N THR A 39 -8.017 0.073 -10.577 1.00 44.11 N ATOM 578 CA THR A 39 -8.695 1.332 -10.297 1.00 40.33 C ATOM 579 C THR A 39 -8.721 2.229 -11.530 1.00 71.40 C ATOM 580 O THR A 39 -7.902 2.078 -12.436 1.00 4.13 O ATOM 581 CB THR A 39 -8.018 2.090 -9.140 1.00 2.12 C ATOM 582 OG1 THR A 39 -7.000 1.274 -8.549 1.00 13.02 O ATOM 583 CG2 THR A 39 -9.037 2.484 -8.082 1.00 0.55 C ATOM 0 H THR A 39 -7.298 0.133 -11.298 1.00 44.11 H new ATOM 0 HA THR A 39 -9.717 1.083 -10.010 1.00 40.33 H new ATOM 0 HB THR A 39 -7.567 2.997 -9.543 1.00 2.12 H new ATOM 0 HG1 THR A 39 -6.797 1.605 -7.649 1.00 13.02 H new ATOM 0 HG21 THR A 39 -8.536 3.018 -7.275 1.00 0.55 H new ATOM 0 HG22 THR A 39 -9.794 3.129 -8.528 1.00 0.55 H new ATOM 0 HG23 THR A 39 -9.513 1.588 -7.683 1.00 0.55 H new ATOM 591 N MET A 40 -9.667 3.162 -11.558 1.00 31.34 N ATOM 592 CA MET A 40 -9.798 4.084 -12.680 1.00 22.14 C ATOM 593 C MET A 40 -10.144 5.487 -12.192 1.00 50.34 C ATOM 594 O MET A 40 -11.042 5.664 -11.370 1.00 30.11 O ATOM 595 CB MET A 40 -10.871 3.590 -13.651 1.00 60.45 C ATOM 596 CG MET A 40 -10.454 3.673 -15.111 1.00 31.01 C ATOM 597 SD MET A 40 -11.863 3.793 -16.230 1.00 1.32 S ATOM 598 CE MET A 40 -12.267 2.063 -16.452 1.00 72.35 C ATOM 0 H MET A 40 -10.354 3.299 -10.817 1.00 31.34 H new ATOM 0 HA MET A 40 -8.840 4.125 -13.199 1.00 22.14 H new ATOM 0 HB2 MET A 40 -11.119 2.556 -13.411 1.00 60.45 H new ATOM 0 HB3 MET A 40 -11.778 4.177 -13.507 1.00 60.45 H new ATOM 0 HG2 MET A 40 -9.808 4.540 -15.252 1.00 31.01 H new ATOM 0 HG3 MET A 40 -9.865 2.792 -15.367 1.00 31.01 H new ATOM 0 HE1 MET A 40 -13.122 1.972 -17.122 1.00 72.35 H new ATOM 0 HE2 MET A 40 -11.412 1.542 -16.882 1.00 72.35 H new ATOM 0 HE3 MET A 40 -12.513 1.620 -15.487 1.00 72.35 H new ATOM 608 N GLU A 41 -9.426 6.481 -12.705 1.00 44.34 N ATOM 609 CA GLU A 41 -9.658 7.868 -12.320 1.00 44.43 C ATOM 610 C GLU A 41 -9.693 8.775 -13.547 1.00 40.03 C ATOM 611 O GLU A 41 -8.835 8.683 -14.424 1.00 65.01 O ATOM 612 CB GLU A 41 -8.569 8.342 -11.354 1.00 74.43 C ATOM 613 CG GLU A 41 -9.024 8.398 -9.906 1.00 32.25 C ATOM 614 CD GLU A 41 -9.842 9.637 -9.598 1.00 43.44 C ATOM 615 OE1 GLU A 41 -9.679 10.647 -10.315 1.00 3.41 O ATOM 616 OE2 GLU A 41 -10.644 9.598 -8.642 1.00 43.12 O ATOM 0 H GLU A 41 -8.679 6.352 -13.388 1.00 44.34 H new ATOM 0 HA GLU A 41 -10.626 7.922 -11.821 1.00 44.43 H new ATOM 0 HB2 GLU A 41 -7.711 7.674 -11.431 1.00 74.43 H new ATOM 0 HB3 GLU A 41 -8.231 9.332 -11.659 1.00 74.43 H new ATOM 0 HG2 GLU A 41 -9.616 7.511 -9.681 1.00 32.25 H new ATOM 0 HG3 GLU A 41 -8.151 8.372 -9.254 1.00 32.25 H new ATOM 623 N GLU A 42 -10.693 9.650 -13.601 1.00 62.51 N ATOM 624 CA GLU A 42 -10.841 10.572 -14.721 1.00 62.40 C ATOM 625 C GLU A 42 -10.762 12.020 -14.247 1.00 50.03 C ATOM 626 O GLU A 42 -11.227 12.355 -13.157 1.00 74.24 O ATOM 627 CB GLU A 42 -12.171 10.329 -15.437 1.00 50.44 C ATOM 628 CG GLU A 42 -13.388 10.604 -14.570 1.00 71.22 C ATOM 629 CD GLU A 42 -14.409 9.484 -14.626 1.00 60.15 C ATOM 630 OE1 GLU A 42 -14.034 8.326 -14.348 1.00 20.42 O ATOM 631 OE2 GLU A 42 -15.582 9.765 -14.949 1.00 41.21 O ATOM 0 H GLU A 42 -11.412 9.739 -12.883 1.00 62.51 H new ATOM 0 HA GLU A 42 -10.023 10.392 -15.419 1.00 62.40 H new ATOM 0 HB2 GLU A 42 -12.217 10.961 -16.324 1.00 50.44 H new ATOM 0 HB3 GLU A 42 -12.206 9.295 -15.780 1.00 50.44 H new ATOM 0 HG2 GLU A 42 -13.069 10.749 -13.538 1.00 71.22 H new ATOM 0 HG3 GLU A 42 -13.856 11.534 -14.892 1.00 71.22 H new ATOM 638 N HIS A 43 -10.169 12.875 -15.074 1.00 40.51 N ATOM 639 CA HIS A 43 -10.029 14.288 -14.741 1.00 4.54 C ATOM 640 C HIS A 43 -9.933 15.138 -16.004 1.00 43.03 C ATOM 641 O HIS A 43 -9.301 14.742 -16.983 1.00 45.35 O ATOM 642 CB HIS A 43 -8.791 14.508 -13.869 1.00 54.13 C ATOM 643 CG HIS A 43 -9.113 14.912 -12.463 1.00 40.14 C ATOM 644 ND1 HIS A 43 -10.122 15.797 -12.147 1.00 2.22 N ATOM 645 CD2 HIS A 43 -8.553 14.545 -11.287 1.00 14.11 C ATOM 646 CE1 HIS A 43 -10.168 15.959 -10.836 1.00 63.44 C ATOM 647 NE2 HIS A 43 -9.227 15.209 -10.291 1.00 45.31 N ATOM 0 H HIS A 43 -9.778 12.614 -15.979 1.00 40.51 H new ATOM 0 HA HIS A 43 -10.915 14.594 -14.185 1.00 4.54 H new ATOM 0 HB2 HIS A 43 -8.203 13.590 -13.849 1.00 54.13 H new ATOM 0 HB3 HIS A 43 -8.167 15.277 -14.325 1.00 54.13 H new ATOM 0 HD2 HIS A 43 -7.730 13.858 -11.156 1.00 14.11 H new ATOM 0 HE1 HIS A 43 -10.857 16.596 -10.302 1.00 63.44 H new ATOM 0 HE2 HIS A 43 -9.032 15.135 -9.292 1.00 45.31 H new ATOM 655 N SER A 44 -10.565 16.307 -15.975 1.00 60.11 N ATOM 656 CA SER A 44 -10.555 17.210 -17.120 1.00 2.22 C ATOM 657 C SER A 44 -9.725 18.455 -16.822 1.00 2.20 C ATOM 658 O SER A 44 -9.971 19.160 -15.843 1.00 25.45 O ATOM 659 CB SER A 44 -11.983 17.613 -17.492 1.00 32.45 C ATOM 660 OG SER A 44 -12.932 16.880 -16.736 1.00 53.20 O ATOM 0 H SER A 44 -11.090 16.651 -15.171 1.00 60.11 H new ATOM 0 HA SER A 44 -10.103 16.685 -17.961 1.00 2.22 H new ATOM 0 HB2 SER A 44 -12.120 18.680 -17.318 1.00 32.45 H new ATOM 0 HB3 SER A 44 -12.148 17.440 -18.555 1.00 32.45 H new ATOM 0 HG SER A 44 -13.837 17.156 -16.991 1.00 53.20 H new ATOM 666 N PHE A 45 -8.740 18.720 -17.674 1.00 52.03 N ATOM 667 CA PHE A 45 -7.872 19.879 -17.503 1.00 50.22 C ATOM 668 C PHE A 45 -7.366 19.972 -16.067 1.00 1.33 C ATOM 669 O PHE A 45 -7.181 21.065 -15.530 1.00 42.34 O ATOM 670 CB PHE A 45 -8.618 21.162 -17.877 1.00 73.51 C ATOM 671 CG PHE A 45 -7.711 22.333 -18.124 1.00 70.34 C ATOM 672 CD1 PHE A 45 -6.600 22.204 -18.942 1.00 4.43 C ATOM 673 CD2 PHE A 45 -7.969 23.562 -17.539 1.00 74.22 C ATOM 674 CE1 PHE A 45 -5.763 23.280 -19.172 1.00 3.23 C ATOM 675 CE2 PHE A 45 -7.137 24.641 -17.766 1.00 5.11 C ATOM 676 CZ PHE A 45 -6.031 24.500 -18.582 1.00 72.11 C ATOM 0 H PHE A 45 -8.523 18.148 -18.490 1.00 52.03 H new ATOM 0 HA PHE A 45 -7.014 19.760 -18.165 1.00 50.22 H new ATOM 0 HB2 PHE A 45 -9.213 20.979 -18.772 1.00 73.51 H new ATOM 0 HB3 PHE A 45 -9.314 21.414 -17.077 1.00 73.51 H new ATOM 0 HD1 PHE A 45 -6.386 21.252 -19.405 1.00 4.43 H new ATOM 0 HD2 PHE A 45 -8.831 23.678 -16.898 1.00 74.22 H new ATOM 0 HE1 PHE A 45 -4.901 23.167 -19.812 1.00 3.23 H new ATOM 0 HE2 PHE A 45 -7.351 25.594 -17.306 1.00 5.11 H new ATOM 0 HZ PHE A 45 -5.378 25.342 -18.758 1.00 72.11 H new ATOM 686 N THR A 46 -7.144 18.817 -15.448 1.00 30.24 N ATOM 687 CA THR A 46 -6.661 18.766 -14.073 1.00 53.44 C ATOM 688 C THR A 46 -5.196 18.349 -14.020 1.00 52.02 C ATOM 689 O THR A 46 -4.335 19.124 -13.603 1.00 21.50 O ATOM 690 CB THR A 46 -7.493 17.789 -13.221 1.00 40.23 C ATOM 691 OG1 THR A 46 -8.721 17.479 -13.890 1.00 2.13 O ATOM 692 CG2 THR A 46 -7.791 18.383 -11.853 1.00 24.13 C ATOM 0 H THR A 46 -7.291 17.903 -15.877 1.00 30.24 H new ATOM 0 HA THR A 46 -6.764 19.771 -13.664 1.00 53.44 H new ATOM 0 HB THR A 46 -6.913 16.876 -13.085 1.00 40.23 H new ATOM 0 HG1 THR A 46 -9.405 17.246 -13.228 1.00 2.13 H new ATOM 0 HG21 THR A 46 -8.380 17.675 -11.269 1.00 24.13 H new ATOM 0 HG22 THR A 46 -6.855 18.591 -11.335 1.00 24.13 H new ATOM 0 HG23 THR A 46 -8.353 19.309 -11.973 1.00 24.13 H new ATOM 700 N ASP A 47 -4.920 17.121 -14.446 1.00 1.32 N ATOM 701 CA ASP A 47 -3.557 16.601 -14.448 1.00 55.44 C ATOM 702 C ASP A 47 -2.752 17.193 -15.601 1.00 11.42 C ATOM 703 O ASP A 47 -3.309 17.560 -16.635 1.00 62.32 O ATOM 704 CB ASP A 47 -3.571 15.075 -14.550 1.00 53.45 C ATOM 705 CG ASP A 47 -2.288 14.449 -14.042 1.00 2.45 C ATOM 706 OD1 ASP A 47 -1.416 15.198 -13.553 1.00 13.14 O ATOM 707 OD2 ASP A 47 -2.154 13.211 -14.133 1.00 33.11 O ATOM 0 H ASP A 47 -5.621 16.467 -14.794 1.00 1.32 H new ATOM 0 HA ASP A 47 -3.082 16.890 -13.510 1.00 55.44 H new ATOM 0 HB2 ASP A 47 -4.413 14.683 -13.980 1.00 53.45 H new ATOM 0 HB3 ASP A 47 -3.727 14.785 -15.589 1.00 53.45 H new ATOM 712 N GLU A 48 -1.439 17.285 -15.413 1.00 71.42 N ATOM 713 CA GLU A 48 -0.558 17.834 -16.437 1.00 52.20 C ATOM 714 C GLU A 48 0.041 16.722 -17.293 1.00 41.32 C ATOM 715 O GLU A 48 1.099 16.891 -17.898 1.00 2.15 O ATOM 716 CB GLU A 48 0.560 18.655 -15.792 1.00 3.22 C ATOM 717 CG GLU A 48 0.625 20.090 -16.287 1.00 0.33 C ATOM 718 CD GLU A 48 1.895 20.384 -17.061 1.00 24.31 C ATOM 719 OE1 GLU A 48 2.072 19.806 -18.154 1.00 32.14 O ATOM 720 OE2 GLU A 48 2.713 21.192 -16.573 1.00 62.13 O ATOM 0 H GLU A 48 -0.963 16.987 -14.562 1.00 71.42 H new ATOM 0 HA GLU A 48 -1.151 18.484 -17.080 1.00 52.20 H new ATOM 0 HB2 GLU A 48 0.419 18.659 -14.711 1.00 3.22 H new ATOM 0 HB3 GLU A 48 1.516 18.169 -15.988 1.00 3.22 H new ATOM 0 HG2 GLU A 48 -0.238 20.290 -16.922 1.00 0.33 H new ATOM 0 HG3 GLU A 48 0.558 20.767 -15.436 1.00 0.33 H new ATOM 727 N GLY A 49 -0.644 15.584 -17.339 1.00 33.31 N ATOM 728 CA GLY A 49 -0.165 14.460 -18.122 1.00 42.23 C ATOM 729 C GLY A 49 -0.045 14.791 -19.597 1.00 22.32 C ATOM 730 O GLY A 49 0.849 14.293 -20.281 1.00 42.04 O ATOM 0 H GLY A 49 -1.523 15.420 -16.848 1.00 33.31 H new ATOM 0 HA2 GLY A 49 0.807 14.145 -17.743 1.00 42.23 H new ATOM 0 HA3 GLY A 49 -0.845 13.617 -17.996 1.00 42.23 H new ATOM 734 N VAL A 50 -0.949 15.632 -20.089 1.00 1.04 N ATOM 735 CA VAL A 50 -0.941 16.028 -21.492 1.00 10.12 C ATOM 736 C VAL A 50 -0.529 17.488 -21.649 1.00 30.54 C ATOM 737 O VAL A 50 -0.988 18.355 -20.906 1.00 71.14 O ATOM 738 CB VAL A 50 -2.323 15.824 -22.140 1.00 60.34 C ATOM 739 CG1 VAL A 50 -2.780 14.382 -21.981 1.00 63.42 C ATOM 740 CG2 VAL A 50 -3.340 16.783 -21.540 1.00 62.14 C ATOM 0 H VAL A 50 -1.696 16.052 -19.537 1.00 1.04 H new ATOM 0 HA VAL A 50 -0.213 15.392 -21.996 1.00 10.12 H new ATOM 0 HB VAL A 50 -2.240 16.038 -23.205 1.00 60.34 H new ATOM 0 HG11 VAL A 50 -3.758 14.257 -22.445 1.00 63.42 H new ATOM 0 HG12 VAL A 50 -2.062 13.718 -22.463 1.00 63.42 H new ATOM 0 HG13 VAL A 50 -2.847 14.136 -20.921 1.00 63.42 H new ATOM 0 HG21 VAL A 50 -4.311 16.625 -22.010 1.00 62.14 H new ATOM 0 HG22 VAL A 50 -3.422 16.603 -20.468 1.00 62.14 H new ATOM 0 HG23 VAL A 50 -3.017 17.810 -21.712 1.00 62.14 H new ATOM 750 N GLU A 51 0.339 17.751 -22.620 1.00 64.41 N ATOM 751 CA GLU A 51 0.813 19.106 -22.874 1.00 4.02 C ATOM 752 C GLU A 51 0.178 19.677 -24.138 1.00 60.13 C ATOM 753 O GLU A 51 0.150 19.023 -25.181 1.00 61.41 O ATOM 754 CB GLU A 51 2.338 19.121 -23.004 1.00 71.14 C ATOM 755 CG GLU A 51 3.064 18.979 -21.677 1.00 71.22 C ATOM 756 CD GLU A 51 4.104 20.061 -21.462 1.00 51.23 C ATOM 757 OE1 GLU A 51 5.081 20.107 -22.239 1.00 53.02 O ATOM 758 OE2 GLU A 51 3.942 20.862 -20.518 1.00 34.31 O ATOM 0 H GLU A 51 0.728 17.044 -23.244 1.00 64.41 H new ATOM 0 HA GLU A 51 0.522 19.729 -22.029 1.00 4.02 H new ATOM 0 HB2 GLU A 51 2.646 18.311 -23.665 1.00 71.14 H new ATOM 0 HB3 GLU A 51 2.645 20.053 -23.478 1.00 71.14 H new ATOM 0 HG2 GLU A 51 2.338 19.012 -20.865 1.00 71.22 H new ATOM 0 HG3 GLU A 51 3.547 18.003 -21.634 1.00 71.22 H new ATOM 765 N ILE A 52 -0.331 20.900 -24.037 1.00 72.01 N ATOM 766 CA ILE A 52 -0.966 21.559 -25.172 1.00 4.12 C ATOM 767 C ILE A 52 -0.070 22.653 -25.743 1.00 51.21 C ATOM 768 O ILE A 52 0.538 23.423 -25.000 1.00 23.24 O ATOM 769 CB ILE A 52 -2.322 22.174 -24.779 1.00 41.24 C ATOM 770 CG1 ILE A 52 -3.032 21.286 -23.756 1.00 74.10 C ATOM 771 CG2 ILE A 52 -3.191 22.370 -26.013 1.00 11.45 C ATOM 772 CD1 ILE A 52 -3.250 19.868 -24.235 1.00 23.54 C ATOM 0 H ILE A 52 -0.316 21.455 -23.181 1.00 72.01 H new ATOM 0 HA ILE A 52 -1.130 20.794 -25.931 1.00 4.12 H new ATOM 0 HB ILE A 52 -2.145 23.149 -24.324 1.00 41.24 H new ATOM 0 HG12 ILE A 52 -2.446 21.264 -22.837 1.00 74.10 H new ATOM 0 HG13 ILE A 52 -3.996 21.730 -23.509 1.00 74.10 H new ATOM 0 HG21 ILE A 52 -4.146 22.805 -25.720 1.00 11.45 H new ATOM 0 HG22 ILE A 52 -2.687 23.038 -26.711 1.00 11.45 H new ATOM 0 HG23 ILE A 52 -3.363 21.407 -26.493 1.00 11.45 H new ATOM 0 HD11 ILE A 52 -3.758 19.296 -23.459 1.00 23.54 H new ATOM 0 HD12 ILE A 52 -3.862 19.879 -25.137 1.00 23.54 H new ATOM 0 HD13 ILE A 52 -2.287 19.406 -24.455 1.00 23.54 H new ATOM 784 N SER A 53 0.004 22.717 -27.069 1.00 4.44 N ATOM 785 CA SER A 53 0.827 23.716 -27.741 1.00 1.45 C ATOM 786 C SER A 53 0.136 24.233 -28.999 1.00 34.52 C ATOM 787 O SER A 53 -0.459 23.464 -29.753 1.00 54.32 O ATOM 788 CB SER A 53 2.192 23.126 -28.101 1.00 34.43 C ATOM 789 OG SER A 53 3.233 23.782 -27.398 1.00 72.22 O ATOM 0 H SER A 53 -0.496 22.089 -27.699 1.00 4.44 H new ATOM 0 HA SER A 53 0.970 24.552 -27.056 1.00 1.45 H new ATOM 0 HB2 SER A 53 2.205 22.062 -27.866 1.00 34.43 H new ATOM 0 HB3 SER A 53 2.360 23.218 -29.174 1.00 34.43 H new ATOM 0 HG SER A 53 4.095 23.385 -27.644 1.00 72.22 H new ATOM 795 N GLY A 54 0.219 25.541 -29.218 1.00 1.41 N ATOM 796 CA GLY A 54 -0.403 26.139 -30.385 1.00 43.20 C ATOM 797 C GLY A 54 -1.493 27.127 -30.019 1.00 44.22 C ATOM 798 O GLY A 54 -1.800 28.037 -30.790 1.00 61.42 O ATOM 0 H GLY A 54 0.706 26.198 -28.608 1.00 1.41 H new ATOM 0 HA2 GLY A 54 0.358 26.646 -30.979 1.00 43.20 H new ATOM 0 HA3 GLY A 54 -0.825 25.353 -31.011 1.00 43.20 H new ATOM 802 N TYR A 55 -2.080 26.948 -28.841 1.00 44.42 N ATOM 803 CA TYR A 55 -3.145 27.829 -28.377 1.00 3.25 C ATOM 804 C TYR A 55 -2.570 29.058 -27.679 1.00 1.12 C ATOM 805 O TYR A 55 -1.584 28.966 -26.947 1.00 14.14 O ATOM 806 CB TYR A 55 -4.077 27.078 -27.425 1.00 13.12 C ATOM 807 CG TYR A 55 -4.439 27.865 -26.185 1.00 62.31 C ATOM 808 CD1 TYR A 55 -5.551 28.698 -26.167 1.00 45.23 C ATOM 809 CD2 TYR A 55 -3.669 27.775 -25.032 1.00 44.43 C ATOM 810 CE1 TYR A 55 -5.884 29.419 -25.037 1.00 54.42 C ATOM 811 CE2 TYR A 55 -3.996 28.492 -23.897 1.00 62.34 C ATOM 812 CZ TYR A 55 -5.104 29.312 -23.905 1.00 13.42 C ATOM 813 OH TYR A 55 -5.433 30.029 -22.777 1.00 22.33 O ATOM 0 H TYR A 55 -1.836 26.201 -28.190 1.00 44.42 H new ATOM 0 HA TYR A 55 -3.713 28.160 -29.246 1.00 3.25 H new ATOM 0 HB2 TYR A 55 -4.991 26.814 -27.957 1.00 13.12 H new ATOM 0 HB3 TYR A 55 -3.601 26.144 -27.126 1.00 13.12 H new ATOM 0 HD1 TYR A 55 -6.165 28.783 -27.051 1.00 45.23 H new ATOM 0 HD2 TYR A 55 -2.800 27.134 -25.023 1.00 44.43 H new ATOM 0 HE1 TYR A 55 -6.751 30.063 -25.040 1.00 54.42 H new ATOM 0 HE2 TYR A 55 -3.387 28.410 -23.009 1.00 62.34 H new ATOM 0 HH TYR A 55 -6.383 30.269 -22.808 1.00 22.33 H new ATOM 823 N ASP A 56 -3.194 30.208 -27.911 1.00 64.31 N ATOM 824 CA ASP A 56 -2.747 31.456 -27.304 1.00 43.33 C ATOM 825 C ASP A 56 -3.680 31.875 -26.173 1.00 54.41 C ATOM 826 O ASP A 56 -4.901 31.863 -26.326 1.00 34.31 O ATOM 827 CB ASP A 56 -2.673 32.563 -28.358 1.00 32.50 C ATOM 828 CG ASP A 56 -2.039 32.089 -29.651 1.00 4.31 C ATOM 829 OD1 ASP A 56 -1.091 31.278 -29.585 1.00 73.01 O ATOM 830 OD2 ASP A 56 -2.490 32.530 -30.729 1.00 21.43 O ATOM 0 H ASP A 56 -4.011 30.301 -28.515 1.00 64.31 H new ATOM 0 HA ASP A 56 -1.752 31.293 -26.889 1.00 43.33 H new ATOM 0 HB2 ASP A 56 -3.678 32.933 -28.563 1.00 32.50 H new ATOM 0 HB3 ASP A 56 -2.100 33.401 -27.961 1.00 32.50 H new ATOM 835 N ALA A 57 -3.097 32.245 -25.038 1.00 11.43 N ATOM 836 CA ALA A 57 -3.877 32.669 -23.881 1.00 44.11 C ATOM 837 C ALA A 57 -4.456 34.064 -24.091 1.00 32.12 C ATOM 838 O ALA A 57 -3.720 35.022 -24.323 1.00 53.54 O ATOM 839 CB ALA A 57 -3.018 32.635 -22.625 1.00 53.42 C ATOM 0 H ALA A 57 -2.087 32.260 -24.894 1.00 11.43 H new ATOM 0 HA ALA A 57 -4.708 31.974 -23.759 1.00 44.11 H new ATOM 0 HB1 ALA A 57 -3.613 32.954 -21.769 1.00 53.42 H new ATOM 0 HB2 ALA A 57 -2.657 31.620 -22.458 1.00 53.42 H new ATOM 0 HB3 ALA A 57 -2.168 33.307 -22.747 1.00 53.42 H new ATOM 845 N GLN A 58 -5.779 34.169 -24.008 1.00 25.23 N ATOM 846 CA GLN A 58 -6.456 35.447 -24.190 1.00 41.11 C ATOM 847 C GLN A 58 -6.370 35.906 -25.642 1.00 15.10 C ATOM 848 O GLN A 58 -6.571 37.082 -25.945 1.00 43.44 O ATOM 849 CB GLN A 58 -5.846 36.507 -23.271 1.00 52.00 C ATOM 850 CG GLN A 58 -6.878 37.280 -22.465 1.00 61.40 C ATOM 851 CD GLN A 58 -7.024 38.716 -22.928 1.00 74.43 C ATOM 852 OE1 GLN A 58 -6.153 39.551 -22.684 1.00 70.34 O ATOM 853 NE2 GLN A 58 -8.130 39.011 -23.601 1.00 75.12 N ATOM 0 H GLN A 58 -6.402 33.385 -23.816 1.00 25.23 H new ATOM 0 HA GLN A 58 -7.506 35.313 -23.931 1.00 41.11 H new ATOM 0 HB2 GLN A 58 -5.149 36.024 -22.586 1.00 52.00 H new ATOM 0 HB3 GLN A 58 -5.267 37.208 -23.873 1.00 52.00 H new ATOM 0 HG2 GLN A 58 -7.843 36.778 -22.541 1.00 61.40 H new ATOM 0 HG3 GLN A 58 -6.594 37.269 -21.413 1.00 61.40 H new ATOM 0 HE21 GLN A 58 -8.826 38.287 -23.781 1.00 75.12 H new ATOM 0 HE22 GLN A 58 -8.284 39.961 -23.938 1.00 75.12 H new ATOM 862 N LYS A 59 -6.071 34.970 -26.537 1.00 15.35 N ATOM 863 CA LYS A 59 -5.960 35.277 -27.958 1.00 10.24 C ATOM 864 C LYS A 59 -6.503 34.132 -28.806 1.00 34.22 C ATOM 865 O LYS A 59 -6.179 34.012 -29.988 1.00 1.02 O ATOM 866 CB LYS A 59 -4.501 35.553 -28.328 1.00 60.30 C ATOM 867 CG LYS A 59 -3.558 35.537 -27.138 1.00 22.24 C ATOM 868 CD LYS A 59 -2.212 36.152 -27.484 1.00 13.11 C ATOM 869 CE LYS A 59 -2.163 37.627 -27.116 1.00 24.03 C ATOM 870 NZ LYS A 59 -1.125 38.358 -27.894 1.00 3.30 N ATOM 0 H LYS A 59 -5.901 33.992 -26.303 1.00 15.35 H new ATOM 0 HA LYS A 59 -6.555 36.168 -28.160 1.00 10.24 H new ATOM 0 HB2 LYS A 59 -4.171 34.808 -29.052 1.00 60.30 H new ATOM 0 HB3 LYS A 59 -4.437 36.524 -28.819 1.00 60.30 H new ATOM 0 HG2 LYS A 59 -4.007 36.085 -26.310 1.00 22.24 H new ATOM 0 HG3 LYS A 59 -3.414 34.511 -26.801 1.00 22.24 H new ATOM 0 HD2 LYS A 59 -1.421 35.618 -26.958 1.00 13.11 H new ATOM 0 HD3 LYS A 59 -2.021 36.035 -28.551 1.00 13.11 H new ATOM 0 HE2 LYS A 59 -3.138 38.079 -27.297 1.00 24.03 H new ATOM 0 HE3 LYS A 59 -1.957 37.729 -26.050 1.00 24.03 H new ATOM 0 HZ1 LYS A 59 -1.123 39.360 -27.614 1.00 3.30 H new ATOM 0 HZ2 LYS A 59 -0.191 37.943 -27.702 1.00 3.30 H new ATOM 0 HZ3 LYS A 59 -1.335 38.282 -28.910 1.00 3.30 H new ATOM 884 N THR A 60 -7.334 33.291 -28.196 1.00 5.53 N ATOM 885 CA THR A 60 -7.922 32.156 -28.895 1.00 11.22 C ATOM 886 C THR A 60 -8.497 32.578 -30.242 1.00 40.01 C ATOM 887 O THR A 60 -7.852 32.424 -31.279 1.00 35.04 O ATOM 888 CB THR A 60 -9.035 31.497 -28.058 1.00 60.14 C ATOM 889 OG1 THR A 60 -9.919 32.499 -27.543 1.00 71.51 O ATOM 890 CG2 THR A 60 -8.445 30.694 -26.909 1.00 4.42 C ATOM 0 H THR A 60 -7.614 33.376 -27.219 1.00 5.53 H new ATOM 0 HA THR A 60 -7.122 31.434 -29.055 1.00 11.22 H new ATOM 0 HB THR A 60 -9.592 30.819 -28.705 1.00 60.14 H new ATOM 0 HG1 THR A 60 -9.517 32.914 -26.751 1.00 71.51 H new ATOM 0 HG21 THR A 60 -9.250 30.238 -26.332 1.00 4.42 H new ATOM 0 HG22 THR A 60 -7.796 29.913 -27.306 1.00 4.42 H new ATOM 0 HG23 THR A 60 -7.865 31.354 -26.264 1.00 4.42 H new ATOM 898 N GLY A 61 -9.714 33.112 -30.220 1.00 55.10 N ATOM 899 CA GLY A 61 -10.355 33.549 -31.447 1.00 34.33 C ATOM 900 C GLY A 61 -10.181 32.554 -32.577 1.00 52.45 C ATOM 901 O GLY A 61 -9.615 32.883 -33.620 1.00 53.03 O ATOM 0 H GLY A 61 -10.268 33.250 -29.375 1.00 55.10 H new ATOM 0 HA2 GLY A 61 -11.418 33.703 -31.263 1.00 34.33 H new ATOM 0 HA3 GLY A 61 -9.941 34.511 -31.747 1.00 34.33 H new ATOM 905 N ARG A 62 -10.667 31.335 -32.371 1.00 21.31 N ATOM 906 CA ARG A 62 -10.559 30.288 -33.381 1.00 14.45 C ATOM 907 C ARG A 62 -9.101 29.900 -33.608 1.00 13.21 C ATOM 908 O ARG A 62 -8.578 30.040 -34.713 1.00 24.22 O ATOM 909 CB ARG A 62 -11.186 30.754 -34.696 1.00 64.45 C ATOM 910 CG ARG A 62 -11.689 29.614 -35.568 1.00 0.43 C ATOM 911 CD ARG A 62 -10.846 29.460 -36.824 1.00 73.40 C ATOM 912 NE ARG A 62 -11.514 30.008 -38.002 1.00 4.24 N ATOM 913 CZ ARG A 62 -10.879 30.329 -39.123 1.00 45.23 C ATOM 914 NH1 ARG A 62 -9.567 30.157 -39.219 1.00 75.14 N ATOM 915 NH2 ARG A 62 -11.555 30.823 -40.152 1.00 53.32 N ATOM 0 H ARG A 62 -11.140 31.047 -31.514 1.00 21.31 H new ATOM 0 HA ARG A 62 -11.097 29.411 -33.020 1.00 14.45 H new ATOM 0 HB2 ARG A 62 -12.016 31.425 -34.475 1.00 64.45 H new ATOM 0 HB3 ARG A 62 -10.450 31.331 -35.256 1.00 64.45 H new ATOM 0 HG2 ARG A 62 -11.670 28.684 -35.000 1.00 0.43 H new ATOM 0 HG3 ARG A 62 -12.727 29.797 -35.845 1.00 0.43 H new ATOM 0 HD2 ARG A 62 -9.890 29.963 -36.683 1.00 73.40 H new ATOM 0 HD3 ARG A 62 -10.630 28.404 -36.988 1.00 73.40 H new ATOM 0 HE ARG A 62 -12.523 30.152 -37.961 1.00 4.24 H new ATOM 0 HH11 ARG A 62 -9.043 29.777 -38.430 1.00 75.14 H new ATOM 0 HH12 ARG A 62 -9.082 30.405 -40.081 1.00 75.14 H new ATOM 0 HH21 ARG A 62 -12.564 30.957 -40.083 1.00 53.32 H new ATOM 0 HH22 ARG A 62 -11.066 31.069 -41.013 1.00 53.32 H new ATOM 929 N GLN A 63 -8.453 29.413 -32.555 1.00 2.41 N ATOM 930 CA GLN A 63 -7.055 29.007 -32.640 1.00 72.51 C ATOM 931 C GLN A 63 -6.925 27.489 -32.572 1.00 20.51 C ATOM 932 O GLN A 63 -7.715 26.816 -31.909 1.00 73.52 O ATOM 933 CB GLN A 63 -6.245 29.651 -31.514 1.00 61.10 C ATOM 934 CG GLN A 63 -5.496 30.903 -31.942 1.00 74.35 C ATOM 935 CD GLN A 63 -4.250 30.591 -32.748 1.00 35.22 C ATOM 936 OE1 GLN A 63 -4.157 30.934 -33.927 1.00 33.23 O ATOM 937 NE2 GLN A 63 -3.284 29.937 -32.114 1.00 41.10 N ATOM 0 H GLN A 63 -8.873 29.290 -31.634 1.00 2.41 H new ATOM 0 HA GLN A 63 -6.662 29.345 -33.599 1.00 72.51 H new ATOM 0 HB2 GLN A 63 -6.916 29.902 -30.693 1.00 61.10 H new ATOM 0 HB3 GLN A 63 -5.530 28.923 -31.130 1.00 61.10 H new ATOM 0 HG2 GLN A 63 -6.159 31.534 -32.534 1.00 74.35 H new ATOM 0 HG3 GLN A 63 -5.218 31.476 -31.057 1.00 74.35 H new ATOM 0 HE21 GLN A 63 -3.404 29.672 -31.136 1.00 41.10 H new ATOM 0 HE22 GLN A 63 -2.422 29.699 -32.605 1.00 41.10 H new ATOM 946 N THR A 64 -5.922 26.954 -33.262 1.00 73.30 N ATOM 947 CA THR A 64 -5.689 25.515 -33.281 1.00 53.22 C ATOM 948 C THR A 64 -4.990 25.055 -32.008 1.00 23.54 C ATOM 949 O THR A 64 -4.380 25.855 -31.298 1.00 4.22 O ATOM 950 CB THR A 64 -4.841 25.100 -34.498 1.00 75.42 C ATOM 951 OG1 THR A 64 -4.032 26.199 -34.930 1.00 53.31 O ATOM 952 CG2 THR A 64 -5.729 24.636 -35.643 1.00 52.13 C ATOM 0 H THR A 64 -5.258 27.496 -33.815 1.00 73.30 H new ATOM 0 HA THR A 64 -6.666 25.037 -33.348 1.00 53.22 H new ATOM 0 HB THR A 64 -4.198 24.272 -34.199 1.00 75.42 H new ATOM 0 HG1 THR A 64 -3.495 25.926 -35.703 1.00 53.31 H new ATOM 0 HG21 THR A 64 -5.108 24.348 -36.491 1.00 52.13 H new ATOM 0 HG22 THR A 64 -6.322 23.780 -35.320 1.00 52.13 H new ATOM 0 HG23 THR A 64 -6.394 25.447 -35.939 1.00 52.13 H new ATOM 960 N LEU A 65 -5.081 23.760 -31.723 1.00 41.14 N ATOM 961 CA LEU A 65 -4.455 23.192 -30.534 1.00 73.03 C ATOM 962 C LEU A 65 -3.964 21.773 -30.803 1.00 3.23 C ATOM 963 O LEU A 65 -4.637 20.986 -31.469 1.00 50.31 O ATOM 964 CB LEU A 65 -5.443 23.189 -29.366 1.00 41.32 C ATOM 965 CG LEU A 65 -5.973 24.556 -28.933 1.00 14.34 C ATOM 966 CD1 LEU A 65 -7.214 24.925 -29.731 1.00 13.02 C ATOM 967 CD2 LEU A 65 -6.275 24.563 -27.441 1.00 60.21 C ATOM 0 H LEU A 65 -5.582 23.084 -32.299 1.00 41.14 H new ATOM 0 HA LEU A 65 -3.596 23.811 -30.274 1.00 73.03 H new ATOM 0 HB2 LEU A 65 -6.292 22.561 -29.636 1.00 41.32 H new ATOM 0 HB3 LEU A 65 -4.960 22.720 -28.509 1.00 41.32 H new ATOM 0 HG LEU A 65 -5.203 25.302 -29.131 1.00 14.34 H new ATOM 0 HD11 LEU A 65 -7.577 25.901 -29.409 1.00 13.02 H new ATOM 0 HD12 LEU A 65 -6.967 24.962 -30.792 1.00 13.02 H new ATOM 0 HD13 LEU A 65 -7.989 24.177 -29.565 1.00 13.02 H new ATOM 0 HD21 LEU A 65 -6.651 25.544 -27.151 1.00 60.21 H new ATOM 0 HD22 LEU A 65 -7.027 23.806 -27.218 1.00 60.21 H new ATOM 0 HD23 LEU A 65 -5.364 24.345 -26.884 1.00 60.21 H new ATOM 979 N THR A 66 -2.786 21.451 -30.278 1.00 4.15 N ATOM 980 CA THR A 66 -2.204 20.127 -30.459 1.00 50.22 C ATOM 981 C THR A 66 -1.691 19.566 -29.138 1.00 33.11 C ATOM 982 O THR A 66 -0.694 20.042 -28.594 1.00 42.35 O ATOM 983 CB THR A 66 -1.047 20.157 -31.475 1.00 65.41 C ATOM 984 OG1 THR A 66 -0.755 21.508 -31.846 1.00 42.53 O ATOM 985 CG2 THR A 66 -1.395 19.348 -32.716 1.00 1.51 C ATOM 0 H THR A 66 -2.216 22.090 -29.724 1.00 4.15 H new ATOM 0 HA THR A 66 -2.996 19.483 -30.840 1.00 50.22 H new ATOM 0 HB THR A 66 -0.169 19.713 -31.006 1.00 65.41 H new ATOM 0 HG1 THR A 66 -0.542 22.029 -31.044 1.00 42.53 H new ATOM 0 HG21 THR A 66 -0.563 19.384 -33.419 1.00 1.51 H new ATOM 0 HG22 THR A 66 -1.587 18.313 -32.434 1.00 1.51 H new ATOM 0 HG23 THR A 66 -2.285 19.767 -33.186 1.00 1.51 H new ATOM 993 N LEU A 67 -2.378 18.551 -28.625 1.00 72.15 N ATOM 994 CA LEU A 67 -1.991 17.923 -27.367 1.00 13.23 C ATOM 995 C LEU A 67 -1.228 16.626 -27.617 1.00 13.33 C ATOM 996 O LEU A 67 -1.640 15.799 -28.430 1.00 61.53 O ATOM 997 CB LEU A 67 -3.229 17.644 -26.512 1.00 62.40 C ATOM 998 CG LEU A 67 -3.972 16.342 -26.813 1.00 73.21 C ATOM 999 CD1 LEU A 67 -3.412 15.202 -25.977 1.00 35.33 C ATOM 1000 CD2 LEU A 67 -5.464 16.509 -26.561 1.00 24.34 C ATOM 0 H LEU A 67 -3.206 18.145 -29.061 1.00 72.15 H new ATOM 0 HA LEU A 67 -1.335 18.610 -26.833 1.00 13.23 H new ATOM 0 HB2 LEU A 67 -2.928 17.633 -25.464 1.00 62.40 H new ATOM 0 HB3 LEU A 67 -3.926 18.473 -26.635 1.00 62.40 H new ATOM 0 HG LEU A 67 -3.827 16.098 -27.865 1.00 73.21 H new ATOM 0 HD11 LEU A 67 -3.953 14.284 -26.205 1.00 35.33 H new ATOM 0 HD12 LEU A 67 -2.355 15.067 -26.207 1.00 35.33 H new ATOM 0 HD13 LEU A 67 -3.526 15.437 -24.919 1.00 35.33 H new ATOM 0 HD21 LEU A 67 -5.977 15.573 -26.780 1.00 24.34 H new ATOM 0 HD22 LEU A 67 -5.629 16.777 -25.518 1.00 24.34 H new ATOM 0 HD23 LEU A 67 -5.856 17.297 -27.204 1.00 24.34 H new ATOM 1012 N HIS A 68 -0.115 16.455 -26.910 1.00 74.13 N ATOM 1013 CA HIS A 68 0.704 15.257 -27.054 1.00 21.34 C ATOM 1014 C HIS A 68 0.861 14.543 -25.715 1.00 21.45 C ATOM 1015 O HIS A 68 1.232 15.155 -24.713 1.00 12.12 O ATOM 1016 CB HIS A 68 2.079 15.618 -27.616 1.00 60.15 C ATOM 1017 CG HIS A 68 2.119 15.669 -29.113 1.00 1.12 C ATOM 1018 ND1 HIS A 68 2.861 14.792 -29.876 1.00 55.32 N ATOM 1019 CD2 HIS A 68 1.502 16.498 -29.987 1.00 41.01 C ATOM 1020 CE1 HIS A 68 2.699 15.081 -31.155 1.00 64.23 C ATOM 1021 NE2 HIS A 68 1.879 16.112 -31.250 1.00 22.22 N ATOM 0 H HIS A 68 0.240 17.130 -26.233 1.00 74.13 H new ATOM 0 HA HIS A 68 0.201 14.584 -27.749 1.00 21.34 H new ATOM 0 HB2 HIS A 68 2.382 16.587 -27.219 1.00 60.15 H new ATOM 0 HB3 HIS A 68 2.809 14.888 -27.266 1.00 60.15 H new ATOM 0 HD2 HIS A 68 0.837 17.312 -29.738 1.00 41.01 H new ATOM 0 HE1 HIS A 68 3.159 14.562 -31.983 1.00 64.23 H new ATOM 0 HE2 HIS A 68 1.575 16.550 -32.120 1.00 22.22 H new ATOM 1029 N TYR A 69 0.576 13.245 -25.705 1.00 1.34 N ATOM 1030 CA TYR A 69 0.683 12.449 -24.488 1.00 75.30 C ATOM 1031 C TYR A 69 1.253 11.066 -24.790 1.00 41.41 C ATOM 1032 O TYR A 69 0.690 10.311 -25.582 1.00 21.34 O ATOM 1033 CB TYR A 69 -0.687 12.313 -23.821 1.00 73.50 C ATOM 1034 CG TYR A 69 -1.698 11.565 -24.661 1.00 53.52 C ATOM 1035 CD1 TYR A 69 -2.220 12.128 -25.820 1.00 21.15 C ATOM 1036 CD2 TYR A 69 -2.131 10.296 -24.297 1.00 11.32 C ATOM 1037 CE1 TYR A 69 -3.144 11.449 -26.590 1.00 14.15 C ATOM 1038 CE2 TYR A 69 -3.054 9.609 -25.062 1.00 12.54 C ATOM 1039 CZ TYR A 69 -3.558 10.190 -26.207 1.00 12.34 C ATOM 1040 OH TYR A 69 -4.478 9.510 -26.972 1.00 1.32 O ATOM 0 H TYR A 69 0.269 12.722 -26.525 1.00 1.34 H new ATOM 0 HA TYR A 69 1.363 12.962 -23.807 1.00 75.30 H new ATOM 0 HB2 TYR A 69 -0.568 11.799 -22.867 1.00 73.50 H new ATOM 0 HB3 TYR A 69 -1.075 13.308 -23.601 1.00 73.50 H new ATOM 0 HD1 TYR A 69 -1.898 13.113 -26.123 1.00 21.15 H new ATOM 0 HD2 TYR A 69 -1.739 9.839 -23.400 1.00 11.32 H new ATOM 0 HE1 TYR A 69 -3.540 11.901 -27.487 1.00 14.15 H new ATOM 0 HE2 TYR A 69 -3.379 8.623 -24.765 1.00 12.54 H new ATOM 0 HH TYR A 69 -4.578 8.597 -26.629 1.00 1.32 H new ATOM 1050 N GLN A 70 2.374 10.744 -24.153 1.00 20.12 N ATOM 1051 CA GLN A 70 3.022 9.453 -24.353 1.00 34.11 C ATOM 1052 C GLN A 70 3.504 9.303 -25.792 1.00 11.01 C ATOM 1053 O GLN A 70 4.661 9.583 -26.102 1.00 0.22 O ATOM 1054 CB GLN A 70 2.059 8.316 -24.004 1.00 2.30 C ATOM 1055 CG GLN A 70 2.261 7.756 -22.605 1.00 62.24 C ATOM 1056 CD GLN A 70 3.586 7.035 -22.451 1.00 41.32 C ATOM 1057 OE1 GLN A 70 4.120 6.481 -23.412 1.00 41.24 O ATOM 1058 NE2 GLN A 70 4.125 7.039 -21.237 1.00 54.34 N ATOM 0 H GLN A 70 2.852 11.359 -23.494 1.00 20.12 H new ATOM 0 HA GLN A 70 3.887 9.403 -23.692 1.00 34.11 H new ATOM 0 HB2 GLN A 70 1.035 8.677 -24.098 1.00 2.30 H new ATOM 0 HB3 GLN A 70 2.181 7.512 -24.730 1.00 2.30 H new ATOM 0 HG2 GLN A 70 2.208 8.569 -21.881 1.00 62.24 H new ATOM 0 HG3 GLN A 70 1.448 7.068 -22.372 1.00 62.24 H new ATOM 0 HE21 GLN A 70 3.648 7.511 -20.469 1.00 54.34 H new ATOM 0 HE22 GLN A 70 5.016 6.570 -21.073 1.00 54.34 H new ATOM 1067 N GLY A 71 2.608 8.858 -26.668 1.00 51.41 N ATOM 1068 CA GLY A 71 2.961 8.678 -28.064 1.00 44.50 C ATOM 1069 C GLY A 71 1.818 9.018 -29.000 1.00 4.10 C ATOM 1070 O GLY A 71 1.883 8.739 -30.198 1.00 4.52 O ATOM 0 H GLY A 71 1.644 8.619 -26.436 1.00 51.41 H new ATOM 0 HA2 GLY A 71 3.820 9.305 -28.302 1.00 44.50 H new ATOM 0 HA3 GLY A 71 3.266 7.644 -28.228 1.00 44.50 H new ATOM 1074 N HIS A 72 0.767 9.620 -28.453 1.00 51.34 N ATOM 1075 CA HIS A 72 -0.397 9.997 -29.248 1.00 43.30 C ATOM 1076 C HIS A 72 -0.532 11.515 -29.327 1.00 61.02 C ATOM 1077 O HIS A 72 -0.004 12.239 -28.484 1.00 22.32 O ATOM 1078 CB HIS A 72 -1.667 9.391 -28.651 1.00 22.04 C ATOM 1079 CG HIS A 72 -2.074 8.101 -29.293 1.00 70.21 C ATOM 1080 ND1 HIS A 72 -3.228 7.961 -30.036 1.00 25.04 N ATOM 1081 CD2 HIS A 72 -1.473 6.888 -29.302 1.00 70.03 C ATOM 1082 CE1 HIS A 72 -3.319 6.718 -30.472 1.00 73.43 C ATOM 1083 NE2 HIS A 72 -2.267 6.046 -30.042 1.00 22.14 N ATOM 0 H HIS A 72 0.697 9.857 -27.463 1.00 51.34 H new ATOM 0 HA HIS A 72 -0.258 9.609 -30.257 1.00 43.30 H new ATOM 0 HB2 HIS A 72 -1.514 9.224 -27.585 1.00 22.04 H new ATOM 0 HB3 HIS A 72 -2.482 10.108 -28.747 1.00 22.04 H new ATOM 0 HD2 HIS A 72 -0.543 6.630 -28.818 1.00 70.03 H new ATOM 0 HE1 HIS A 72 -4.119 6.319 -31.078 1.00 73.43 H new ATOM 0 HE2 HIS A 72 -2.075 5.062 -30.229 1.00 22.14 H new ATOM 1091 N GLU A 73 -1.242 11.989 -30.346 1.00 61.24 N ATOM 1092 CA GLU A 73 -1.444 13.420 -30.535 1.00 52.44 C ATOM 1093 C GLU A 73 -2.850 13.707 -31.054 1.00 52.45 C ATOM 1094 O GLU A 73 -3.344 13.025 -31.952 1.00 41.14 O ATOM 1095 CB GLU A 73 -0.405 13.981 -31.509 1.00 31.31 C ATOM 1096 CG GLU A 73 -0.676 13.624 -32.961 1.00 33.43 C ATOM 1097 CD GLU A 73 -1.373 14.739 -33.716 1.00 3.14 C ATOM 1098 OE1 GLU A 73 -2.094 15.530 -33.072 1.00 31.21 O ATOM 1099 OE2 GLU A 73 -1.197 14.822 -34.949 1.00 61.50 O ATOM 0 H GLU A 73 -1.687 11.403 -31.053 1.00 61.24 H new ATOM 0 HA GLU A 73 -1.325 13.908 -29.568 1.00 52.44 H new ATOM 0 HB2 GLU A 73 -0.375 15.066 -31.410 1.00 31.31 H new ATOM 0 HB3 GLU A 73 0.581 13.608 -31.230 1.00 31.31 H new ATOM 0 HG2 GLU A 73 0.267 13.390 -33.456 1.00 33.43 H new ATOM 0 HG3 GLU A 73 -1.290 12.724 -33.001 1.00 33.43 H new ATOM 1106 N VAL A 74 -3.490 14.722 -30.482 1.00 54.00 N ATOM 1107 CA VAL A 74 -4.839 15.101 -30.886 1.00 71.41 C ATOM 1108 C VAL A 74 -4.905 16.575 -31.269 1.00 63.20 C ATOM 1109 O VAL A 74 -4.247 17.416 -30.656 1.00 70.22 O ATOM 1110 CB VAL A 74 -5.859 14.827 -29.765 1.00 3.05 C ATOM 1111 CG1 VAL A 74 -7.248 15.286 -30.181 1.00 44.35 C ATOM 1112 CG2 VAL A 74 -5.864 13.351 -29.398 1.00 61.54 C ATOM 0 H VAL A 74 -3.096 15.297 -29.737 1.00 54.00 H new ATOM 0 HA VAL A 74 -5.092 14.492 -31.754 1.00 71.41 H new ATOM 0 HB VAL A 74 -5.564 15.396 -28.883 1.00 3.05 H new ATOM 0 HG11 VAL A 74 -7.954 15.084 -29.376 1.00 44.35 H new ATOM 0 HG12 VAL A 74 -7.231 16.356 -30.388 1.00 44.35 H new ATOM 0 HG13 VAL A 74 -7.556 14.748 -31.077 1.00 44.35 H new ATOM 0 HG21 VAL A 74 -6.590 13.176 -28.604 1.00 61.54 H new ATOM 0 HG22 VAL A 74 -6.133 12.759 -30.273 1.00 61.54 H new ATOM 0 HG23 VAL A 74 -4.872 13.058 -29.053 1.00 61.54 H new ATOM 1122 N SER A 75 -5.703 16.881 -32.286 1.00 52.45 N ATOM 1123 CA SER A 75 -5.853 18.254 -32.754 1.00 43.50 C ATOM 1124 C SER A 75 -7.285 18.742 -32.560 1.00 34.53 C ATOM 1125 O SER A 75 -8.242 18.016 -32.832 1.00 53.20 O ATOM 1126 CB SER A 75 -5.462 18.358 -34.230 1.00 13.54 C ATOM 1127 OG SER A 75 -5.272 19.709 -34.613 1.00 0.42 O ATOM 0 H SER A 75 -6.256 16.197 -32.802 1.00 52.45 H new ATOM 0 HA SER A 75 -5.190 18.887 -32.164 1.00 43.50 H new ATOM 0 HB2 SER A 75 -4.546 17.794 -34.407 1.00 13.54 H new ATOM 0 HB3 SER A 75 -6.239 17.907 -34.848 1.00 13.54 H new ATOM 0 HG SER A 75 -5.021 19.749 -35.560 1.00 0.42 H new ATOM 1133 N PHE A 76 -7.425 19.976 -32.087 1.00 31.53 N ATOM 1134 CA PHE A 76 -8.740 20.561 -31.854 1.00 73.13 C ATOM 1135 C PHE A 76 -8.685 22.082 -31.962 1.00 74.12 C ATOM 1136 O PHE A 76 -7.608 22.669 -32.065 1.00 53.21 O ATOM 1137 CB PHE A 76 -9.266 20.155 -30.476 1.00 74.20 C ATOM 1138 CG PHE A 76 -8.233 20.244 -29.390 1.00 10.33 C ATOM 1139 CD1 PHE A 76 -7.268 19.259 -29.250 1.00 54.51 C ATOM 1140 CD2 PHE A 76 -8.226 21.314 -28.509 1.00 22.44 C ATOM 1141 CE1 PHE A 76 -6.317 19.339 -28.251 1.00 10.22 C ATOM 1142 CE2 PHE A 76 -7.277 21.399 -27.508 1.00 25.15 C ATOM 1143 CZ PHE A 76 -6.320 20.411 -27.379 1.00 72.33 C ATOM 0 H PHE A 76 -6.644 20.590 -31.858 1.00 31.53 H new ATOM 0 HA PHE A 76 -9.418 20.184 -32.619 1.00 73.13 H new ATOM 0 HB2 PHE A 76 -10.111 20.793 -30.216 1.00 74.20 H new ATOM 0 HB3 PHE A 76 -9.642 19.133 -30.526 1.00 74.20 H new ATOM 0 HD1 PHE A 76 -7.259 18.420 -29.929 1.00 54.51 H new ATOM 0 HD2 PHE A 76 -8.971 22.090 -28.606 1.00 22.44 H new ATOM 0 HE1 PHE A 76 -5.571 18.564 -28.152 1.00 10.22 H new ATOM 0 HE2 PHE A 76 -7.283 22.237 -26.827 1.00 25.15 H new ATOM 0 HZ PHE A 76 -5.576 20.476 -26.599 1.00 72.33 H new ATOM 1153 N ASP A 77 -9.854 22.713 -31.939 1.00 11.14 N ATOM 1154 CA ASP A 77 -9.941 24.166 -32.033 1.00 64.33 C ATOM 1155 C ASP A 77 -10.527 24.760 -30.756 1.00 64.42 C ATOM 1156 O ASP A 77 -11.318 24.117 -30.067 1.00 34.24 O ATOM 1157 CB ASP A 77 -10.794 24.570 -33.237 1.00 22.23 C ATOM 1158 CG ASP A 77 -12.216 24.056 -33.137 1.00 34.45 C ATOM 1159 OD1 ASP A 77 -12.440 22.865 -33.439 1.00 61.43 O ATOM 1160 OD2 ASP A 77 -13.106 24.844 -32.755 1.00 32.15 O ATOM 0 H ASP A 77 -10.755 22.241 -31.856 1.00 11.14 H new ATOM 0 HA ASP A 77 -8.932 24.558 -32.164 1.00 64.33 H new ATOM 0 HB2 ASP A 77 -10.809 25.657 -33.320 1.00 22.23 H new ATOM 0 HB3 ASP A 77 -10.335 24.187 -34.149 1.00 22.23 H new ATOM 1165 N VAL A 78 -10.131 25.990 -30.446 1.00 53.31 N ATOM 1166 CA VAL A 78 -10.617 26.671 -29.252 1.00 11.21 C ATOM 1167 C VAL A 78 -11.262 28.007 -29.605 1.00 23.12 C ATOM 1168 O VAL A 78 -10.788 28.724 -30.488 1.00 30.53 O ATOM 1169 CB VAL A 78 -9.480 26.914 -28.242 1.00 64.51 C ATOM 1170 CG1 VAL A 78 -8.514 27.964 -28.768 1.00 4.44 C ATOM 1171 CG2 VAL A 78 -10.046 27.326 -26.892 1.00 24.45 C ATOM 0 H VAL A 78 -9.475 26.535 -31.005 1.00 53.31 H new ATOM 0 HA VAL A 78 -11.363 26.019 -28.798 1.00 11.21 H new ATOM 0 HB VAL A 78 -8.929 25.983 -28.110 1.00 64.51 H new ATOM 0 HG11 VAL A 78 -7.718 28.122 -28.041 1.00 4.44 H new ATOM 0 HG12 VAL A 78 -8.083 27.623 -29.710 1.00 4.44 H new ATOM 0 HG13 VAL A 78 -9.048 28.900 -28.931 1.00 4.44 H new ATOM 0 HG21 VAL A 78 -9.229 27.494 -26.191 1.00 24.45 H new ATOM 0 HG22 VAL A 78 -10.622 28.244 -27.004 1.00 24.45 H new ATOM 0 HG23 VAL A 78 -10.694 26.536 -26.512 1.00 24.45 H new ATOM 1181 N LEU A 79 -12.345 28.337 -28.910 1.00 24.23 N ATOM 1182 CA LEU A 79 -13.055 29.588 -29.149 1.00 14.13 C ATOM 1183 C LEU A 79 -13.524 30.207 -27.836 1.00 11.51 C ATOM 1184 O LEU A 79 -14.211 29.563 -27.044 1.00 32.25 O ATOM 1185 CB LEU A 79 -14.253 29.349 -30.069 1.00 53.25 C ATOM 1186 CG LEU A 79 -14.903 30.599 -30.664 1.00 11.44 C ATOM 1187 CD1 LEU A 79 -14.262 30.952 -31.997 1.00 75.51 C ATOM 1188 CD2 LEU A 79 -16.402 30.395 -30.827 1.00 71.34 C ATOM 0 H LEU A 79 -12.750 27.756 -28.177 1.00 24.23 H new ATOM 0 HA LEU A 79 -12.366 30.282 -29.631 1.00 14.13 H new ATOM 0 HB2 LEU A 79 -13.933 28.705 -30.888 1.00 53.25 H new ATOM 0 HB3 LEU A 79 -15.011 28.801 -29.510 1.00 53.25 H new ATOM 0 HG LEU A 79 -14.743 31.430 -29.977 1.00 11.44 H new ATOM 0 HD11 LEU A 79 -14.738 31.844 -32.405 1.00 75.51 H new ATOM 0 HD12 LEU A 79 -13.199 31.143 -31.850 1.00 75.51 H new ATOM 0 HD13 LEU A 79 -14.389 30.123 -32.693 1.00 75.51 H new ATOM 0 HD21 LEU A 79 -16.848 31.295 -31.252 1.00 71.34 H new ATOM 0 HD22 LEU A 79 -16.584 29.551 -31.492 1.00 71.34 H new ATOM 0 HD23 LEU A 79 -16.850 30.193 -29.854 1.00 71.34 H new ATOM 1200 N VAL A 80 -13.150 31.463 -27.613 1.00 43.30 N ATOM 1201 CA VAL A 80 -13.534 32.172 -26.398 1.00 74.40 C ATOM 1202 C VAL A 80 -14.752 33.056 -26.640 1.00 34.03 C ATOM 1203 O VAL A 80 -14.838 33.749 -27.653 1.00 44.42 O ATOM 1204 CB VAL A 80 -12.380 33.041 -25.866 1.00 2.02 C ATOM 1205 CG1 VAL A 80 -12.122 34.216 -26.797 1.00 74.43 C ATOM 1206 CG2 VAL A 80 -12.684 33.525 -24.456 1.00 22.31 C ATOM 0 H VAL A 80 -12.581 32.011 -28.258 1.00 43.30 H new ATOM 0 HA VAL A 80 -13.780 31.414 -25.654 1.00 74.40 H new ATOM 0 HB VAL A 80 -11.477 32.432 -25.830 1.00 2.02 H new ATOM 0 HG11 VAL A 80 -11.303 34.818 -26.404 1.00 74.43 H new ATOM 0 HG12 VAL A 80 -11.857 33.845 -27.787 1.00 74.43 H new ATOM 0 HG13 VAL A 80 -13.021 34.828 -26.868 1.00 74.43 H new ATOM 0 HG21 VAL A 80 -11.858 34.138 -24.096 1.00 22.31 H new ATOM 0 HG22 VAL A 80 -13.599 34.118 -24.464 1.00 22.31 H new ATOM 0 HG23 VAL A 80 -12.814 32.667 -23.797 1.00 22.31 H new ATOM 1216 N SER A 81 -15.693 33.027 -25.701 1.00 55.05 N ATOM 1217 CA SER A 81 -16.910 33.824 -25.814 1.00 25.13 C ATOM 1218 C SER A 81 -16.806 35.094 -24.974 1.00 73.23 C ATOM 1219 O SER A 81 -15.991 35.198 -24.057 1.00 74.14 O ATOM 1220 CB SER A 81 -18.124 33.005 -25.372 1.00 61.34 C ATOM 1221 OG SER A 81 -17.755 32.013 -24.430 1.00 21.11 O ATOM 0 H SER A 81 -15.636 32.461 -24.854 1.00 55.05 H new ATOM 0 HA SER A 81 -17.034 34.108 -26.859 1.00 25.13 H new ATOM 0 HB2 SER A 81 -18.872 33.666 -24.935 1.00 61.34 H new ATOM 0 HB3 SER A 81 -18.584 32.533 -26.240 1.00 61.34 H new ATOM 0 HG SER A 81 -18.549 31.505 -24.162 1.00 21.11 H new ATOM 1227 N PRO A 82 -17.652 36.084 -25.295 1.00 14.05 N ATOM 1228 CA PRO A 82 -17.677 37.365 -24.583 1.00 12.24 C ATOM 1229 C PRO A 82 -18.218 37.229 -23.163 1.00 54.45 C ATOM 1230 O PRO A 82 -19.223 36.556 -22.933 1.00 22.25 O ATOM 1231 CB PRO A 82 -18.616 38.225 -25.433 1.00 4.32 C ATOM 1232 CG PRO A 82 -19.497 37.248 -26.131 1.00 65.24 C ATOM 1233 CD PRO A 82 -18.650 36.029 -26.376 1.00 35.01 C ATOM 0 HA PRO A 82 -16.678 37.786 -24.467 1.00 12.24 H new ATOM 0 HB2 PRO A 82 -19.196 38.909 -24.813 1.00 4.32 H new ATOM 0 HB3 PRO A 82 -18.059 38.834 -26.145 1.00 4.32 H new ATOM 0 HG2 PRO A 82 -20.367 37.003 -25.522 1.00 65.24 H new ATOM 0 HG3 PRO A 82 -19.870 37.659 -27.069 1.00 65.24 H new ATOM 0 HD2 PRO A 82 -19.240 35.114 -26.332 1.00 35.01 H new ATOM 0 HD3 PRO A 82 -18.180 36.057 -27.359 1.00 35.01 H new ATOM 1241 N LYS A 83 -17.547 37.874 -22.215 1.00 71.11 N ATOM 1242 CA LYS A 83 -17.961 37.827 -20.818 1.00 0.12 C ATOM 1243 C LYS A 83 -19.402 38.303 -20.661 1.00 21.51 C ATOM 1244 O LYS A 83 -19.751 39.405 -21.083 1.00 30.44 O ATOM 1245 CB LYS A 83 -17.032 38.689 -19.960 1.00 50.42 C ATOM 1246 CG LYS A 83 -17.314 38.591 -18.471 1.00 4.11 C ATOM 1247 CD LYS A 83 -17.923 39.875 -17.933 1.00 33.43 C ATOM 1248 CE LYS A 83 -17.689 40.019 -16.437 1.00 24.32 C ATOM 1249 NZ LYS A 83 -18.964 39.982 -15.669 1.00 71.21 N ATOM 0 H LYS A 83 -16.714 38.436 -22.389 1.00 71.11 H new ATOM 0 HA LYS A 83 -17.900 36.792 -20.482 1.00 0.12 H new ATOM 0 HB2 LYS A 83 -16.000 38.392 -20.146 1.00 50.42 H new ATOM 0 HB3 LYS A 83 -17.125 39.729 -20.271 1.00 50.42 H new ATOM 0 HG2 LYS A 83 -17.992 37.759 -18.282 1.00 4.11 H new ATOM 0 HG3 LYS A 83 -16.388 38.375 -17.938 1.00 4.11 H new ATOM 0 HD2 LYS A 83 -17.491 40.730 -18.454 1.00 33.43 H new ATOM 0 HD3 LYS A 83 -18.994 39.885 -18.137 1.00 33.43 H new ATOM 0 HE2 LYS A 83 -17.035 39.218 -16.093 1.00 24.32 H new ATOM 0 HE3 LYS A 83 -17.173 40.959 -16.239 1.00 24.32 H new ATOM 0 HZ1 LYS A 83 -18.761 40.083 -14.654 1.00 71.21 H new ATOM 0 HZ2 LYS A 83 -19.579 40.762 -15.979 1.00 71.21 H new ATOM 0 HZ3 LYS A 83 -19.444 39.075 -15.837 1.00 71.21 H new ATOM 1263 N ALA A 84 -20.234 37.465 -20.051 1.00 25.43 N ATOM 1264 CA ALA A 84 -21.635 37.801 -19.835 1.00 53.22 C ATOM 1265 C ALA A 84 -22.294 36.819 -18.873 1.00 31.22 C ATOM 1266 O ALA A 84 -23.311 36.206 -19.196 1.00 54.40 O ATOM 1267 CB ALA A 84 -22.382 37.826 -21.161 1.00 20.34 C ATOM 0 H ALA A 84 -19.961 36.548 -19.698 1.00 25.43 H new ATOM 0 HA ALA A 84 -21.680 38.793 -19.386 1.00 53.22 H new ATOM 0 HB1 ALA A 84 -23.428 38.078 -20.985 1.00 20.34 H new ATOM 0 HB2 ALA A 84 -21.934 38.572 -21.817 1.00 20.34 H new ATOM 0 HB3 ALA A 84 -22.320 36.845 -21.632 1.00 20.34 H new ATOM 1273 N ALA A 85 -21.707 36.673 -17.689 1.00 60.14 N ATOM 1274 CA ALA A 85 -22.238 35.766 -16.680 1.00 31.32 C ATOM 1275 C ALA A 85 -22.730 36.533 -15.457 1.00 23.42 C ATOM 1276 O ALA A 85 -22.772 37.764 -15.459 1.00 24.43 O ATOM 1277 CB ALA A 85 -21.182 34.747 -16.277 1.00 42.42 C ATOM 0 H ALA A 85 -20.863 37.172 -17.406 1.00 60.14 H new ATOM 0 HA ALA A 85 -23.089 35.239 -17.113 1.00 31.32 H new ATOM 0 HB1 ALA A 85 -21.593 34.076 -15.523 1.00 42.42 H new ATOM 0 HB2 ALA A 85 -20.881 34.169 -17.151 1.00 42.42 H new ATOM 0 HB3 ALA A 85 -20.314 35.265 -15.868 1.00 42.42 H new ATOM 1283 N LEU A 86 -23.101 35.798 -14.414 1.00 55.31 N ATOM 1284 CA LEU A 86 -23.591 36.410 -13.183 1.00 73.35 C ATOM 1285 C LEU A 86 -22.859 35.850 -11.968 1.00 71.42 C ATOM 1286 O LEU A 86 -21.905 35.086 -12.104 1.00 65.43 O ATOM 1287 CB LEU A 86 -25.096 36.176 -13.039 1.00 11.43 C ATOM 1288 CG LEU A 86 -25.539 34.720 -12.899 1.00 71.53 C ATOM 1289 CD1 LEU A 86 -26.268 34.507 -11.582 1.00 21.05 C ATOM 1290 CD2 LEU A 86 -26.423 34.316 -14.071 1.00 2.43 C ATOM 0 H LEU A 86 -23.072 34.779 -14.396 1.00 55.31 H new ATOM 0 HA LEU A 86 -23.399 37.482 -13.237 1.00 73.35 H new ATOM 0 HB2 LEU A 86 -25.447 36.727 -12.166 1.00 11.43 H new ATOM 0 HB3 LEU A 86 -25.595 36.604 -13.908 1.00 11.43 H new ATOM 0 HG LEU A 86 -24.650 34.089 -12.905 1.00 71.53 H new ATOM 0 HD11 LEU A 86 -26.575 33.464 -11.501 1.00 21.05 H new ATOM 0 HD12 LEU A 86 -25.604 34.755 -10.754 1.00 21.05 H new ATOM 0 HD13 LEU A 86 -27.148 35.149 -11.545 1.00 21.05 H new ATOM 0 HD21 LEU A 86 -26.729 33.276 -13.955 1.00 2.43 H new ATOM 0 HD22 LEU A 86 -27.307 34.954 -14.097 1.00 2.43 H new ATOM 0 HD23 LEU A 86 -25.867 34.428 -15.002 1.00 2.43 H new ATOM 1302 N ASN A 87 -23.315 36.234 -10.780 1.00 62.33 N ATOM 1303 CA ASN A 87 -22.704 35.768 -9.540 1.00 40.44 C ATOM 1304 C ASN A 87 -23.720 35.025 -8.679 1.00 13.33 C ATOM 1305 O ASN A 87 -24.900 35.377 -8.650 1.00 21.33 O ATOM 1306 CB ASN A 87 -22.123 36.949 -8.760 1.00 23.25 C ATOM 1307 CG ASN A 87 -23.172 37.669 -7.935 1.00 2.23 C ATOM 1308 OD1 ASN A 87 -23.599 37.180 -6.889 1.00 71.30 O ATOM 1309 ND2 ASN A 87 -23.592 38.838 -8.403 1.00 52.52 N ATOM 0 H ASN A 87 -24.105 36.866 -10.650 1.00 62.33 H new ATOM 0 HA ASN A 87 -21.899 35.079 -9.796 1.00 40.44 H new ATOM 0 HB2 ASN A 87 -21.330 36.592 -8.103 1.00 23.25 H new ATOM 0 HB3 ASN A 87 -21.667 37.652 -9.457 1.00 23.25 H new ATOM 0 HD21 ASN A 87 -24.296 39.369 -7.891 1.00 52.52 H new ATOM 0 HD22 ASN A 87 -23.210 39.205 -9.275 1.00 52.52 H new ATOM 1316 N ASP A 88 -23.254 33.997 -7.978 1.00 54.31 N ATOM 1317 CA ASP A 88 -24.122 33.205 -7.114 1.00 3.11 C ATOM 1318 C ASP A 88 -23.453 32.940 -5.769 1.00 10.44 C ATOM 1319 O ASP A 88 -22.294 33.296 -5.561 1.00 4.21 O ATOM 1320 CB ASP A 88 -24.478 31.880 -7.790 1.00 11.12 C ATOM 1321 CG ASP A 88 -23.272 31.206 -8.414 1.00 32.45 C ATOM 1322 OD1 ASP A 88 -22.773 31.713 -9.440 1.00 21.11 O ATOM 1323 OD2 ASP A 88 -22.827 30.171 -7.875 1.00 31.21 O ATOM 0 H ASP A 88 -22.281 33.693 -7.991 1.00 54.31 H new ATOM 0 HA ASP A 88 -25.036 33.772 -6.940 1.00 3.11 H new ATOM 0 HB2 ASP A 88 -24.926 31.210 -7.056 1.00 11.12 H new ATOM 0 HB3 ASP A 88 -25.229 32.058 -8.559 1.00 11.12 H new ATOM 1328 N GLU A 89 -24.193 32.315 -4.858 1.00 71.35 N ATOM 1329 CA GLU A 89 -23.671 32.005 -3.533 1.00 34.34 C ATOM 1330 C GLU A 89 -22.659 30.865 -3.599 1.00 73.40 C ATOM 1331 O GLU A 89 -21.500 31.028 -3.221 1.00 1.34 O ATOM 1332 CB GLU A 89 -24.814 31.633 -2.585 1.00 23.41 C ATOM 1333 CG GLU A 89 -25.549 32.835 -2.017 1.00 34.30 C ATOM 1334 CD GLU A 89 -26.431 32.475 -0.837 1.00 31.11 C ATOM 1335 OE1 GLU A 89 -25.888 32.016 0.190 1.00 34.11 O ATOM 1336 OE2 GLU A 89 -27.663 32.652 -0.940 1.00 62.22 O ATOM 0 H GLU A 89 -25.155 32.014 -5.014 1.00 71.35 H new ATOM 0 HA GLU A 89 -23.167 32.893 -3.152 1.00 34.34 H new ATOM 0 HB2 GLU A 89 -25.525 31.001 -3.117 1.00 23.41 H new ATOM 0 HB3 GLU A 89 -24.414 31.040 -1.762 1.00 23.41 H new ATOM 0 HG2 GLU A 89 -24.823 33.587 -1.707 1.00 34.30 H new ATOM 0 HG3 GLU A 89 -26.161 33.285 -2.799 1.00 34.30 H new TER 1343 GLU A 89