USER MOD reduce.3.24.130724 H: found=0, std=0, add=764, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 764 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 115:sc= 0.999 USER MOD Set 1.2: A 72 TYR OH : rot 120:sc= 0.398 USER MOD Set 2.1: A 34 THR OG1 : rot 180:sc= -0.0145 USER MOD Set 2.2: A 35 SER OG : rot 180:sc= -0.971 USER MOD Set 3.1: A 21 LYS NZ :NH3+ -158:sc= 1.06 (180deg=-0.0339) USER MOD Set 3.2: A 59 ASN : amide:sc= -4.35! C(o=-3.3!,f=-25!) USER MOD Set 4.1: A 19 THR OG1 : rot 180:sc= 0.988 USER MOD Set 4.2: A 62 THR OG1 : rot -133:sc= 0.916 USER MOD Set 5.1: A 14 THR OG1 : rot 87:sc= 1.21 USER MOD Set 5.2: A 17 THR OG1 : rot 12:sc= 0.485 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN :FLIP amide:sc= -0.653 F(o=-1.7,f=-0.65) USER MOD Single : A 16 HIS : no HD1:sc= 0 X(o=0,f=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 -65:sc= 0.382 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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=-0.000157 X(o=-0.00016,f=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -1.76! C(o=-1.8!,f=-6.2!) USER MOD Single : A 54 SER OG : rot 180:sc= -0.35 USER MOD Single : A 55 ASN : amide:sc= -2.66 K(o=-2.7,f=-3.6!) USER MOD Single : A 64 SER OG : rot 180:sc= 0.0517 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= -8.44! C(o=-8.4!,f=-12!) USER MOD Single : A 86 SER OG : rot -94:sc= -0.38 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot -119:sc= -0.769 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 CYS SG : rot -132:sc= 0.139 USER MOD ----------------------------------------------------------------- ATOM 26 N ILE A 2 -18.826 -3.362 -5.262 1.00 0.68 N ATOM 27 CA ILE A 2 -17.773 -2.693 -4.508 1.00 0.61 C ATOM 28 C ILE A 2 -16.629 -2.284 -5.426 1.00 0.57 C ATOM 29 O ILE A 2 -16.365 -2.934 -6.438 1.00 0.63 O ATOM 30 CB ILE A 2 -17.231 -3.589 -3.375 1.00 0.62 C ATOM 31 CG1 ILE A 2 -16.097 -2.884 -2.620 1.00 0.60 C ATOM 32 CG2 ILE A 2 -16.754 -4.921 -3.937 1.00 0.66 C ATOM 33 CD1 ILE A 2 -15.436 -3.746 -1.563 1.00 0.56 C ATOM 0 HA ILE A 2 -18.213 -1.801 -4.062 1.00 0.61 H new ATOM 0 HB ILE A 2 -18.040 -3.780 -2.670 1.00 0.62 H new ATOM 0 HG12 ILE A 2 -15.342 -2.562 -3.337 1.00 0.60 H new ATOM 0 HG13 ILE A 2 -16.492 -1.985 -2.147 1.00 0.60 H new ATOM 0 HG21 ILE A 2 -16.374 -5.543 -3.126 1.00 0.66 H new ATOM 0 HG22 ILE A 2 -17.586 -5.429 -4.425 1.00 0.66 H new ATOM 0 HG23 ILE A 2 -15.960 -4.746 -4.663 1.00 0.66 H new ATOM 0 HD11 ILE A 2 -14.645 -3.178 -1.073 1.00 0.56 H new ATOM 0 HD12 ILE A 2 -16.178 -4.048 -0.823 1.00 0.56 H new ATOM 0 HD13 ILE A 2 -15.009 -4.633 -2.031 1.00 0.56 H new ATOM 45 N ASP A 3 -15.955 -1.202 -5.067 1.00 0.55 N ATOM 46 CA ASP A 3 -14.842 -0.697 -5.856 1.00 0.54 C ATOM 47 C ASP A 3 -13.701 -0.249 -4.946 1.00 0.47 C ATOM 48 O ASP A 3 -13.880 0.641 -4.114 1.00 0.49 O ATOM 49 CB ASP A 3 -15.305 0.471 -6.730 1.00 0.61 C ATOM 50 CG ASP A 3 -14.503 0.594 -8.010 1.00 1.15 C ATOM 51 OD1 ASP A 3 -13.390 1.158 -7.963 1.00 2.00 O ATOM 52 OD2 ASP A 3 -14.990 0.127 -9.062 1.00 1.64 O ATOM 0 H ASP A 3 -16.161 -0.655 -4.231 1.00 0.55 H new ATOM 0 HA ASP A 3 -14.480 -1.500 -6.498 1.00 0.54 H new ATOM 0 HB2 ASP A 3 -16.359 0.340 -6.977 1.00 0.61 H new ATOM 0 HB3 ASP A 3 -15.223 1.399 -6.164 1.00 0.61 H new ATOM 57 N PRO A 4 -12.509 -0.857 -5.083 1.00 0.44 N ATOM 58 CA PRO A 4 -11.351 -0.503 -4.257 1.00 0.41 C ATOM 59 C PRO A 4 -10.795 0.875 -4.611 1.00 0.38 C ATOM 60 O PRO A 4 -11.098 1.422 -5.672 1.00 0.43 O ATOM 61 CB PRO A 4 -10.339 -1.603 -4.585 1.00 0.45 C ATOM 62 CG PRO A 4 -10.694 -2.029 -5.967 1.00 0.50 C ATOM 63 CD PRO A 4 -12.193 -1.931 -6.045 1.00 0.50 C ATOM 0 HA PRO A 4 -11.598 -0.442 -3.197 1.00 0.41 H new ATOM 0 HB2 PRO A 4 -9.316 -1.230 -4.534 1.00 0.45 H new ATOM 0 HB3 PRO A 4 -10.411 -2.433 -3.882 1.00 0.45 H new ATOM 0 HG2 PRO A 4 -10.220 -1.387 -6.710 1.00 0.50 H new ATOM 0 HG3 PRO A 4 -10.356 -3.047 -6.163 1.00 0.50 H new ATOM 0 HD2 PRO A 4 -12.529 -1.682 -7.052 1.00 0.50 H new ATOM 0 HD3 PRO A 4 -12.673 -2.871 -5.772 1.00 0.50 H new ATOM 71 N PRO A 5 -9.977 1.460 -3.719 1.00 0.37 N ATOM 72 CA PRO A 5 -9.385 2.787 -3.936 1.00 0.39 C ATOM 73 C PRO A 5 -8.559 2.862 -5.215 1.00 0.38 C ATOM 74 O PRO A 5 -8.591 1.952 -6.043 1.00 0.47 O ATOM 75 CB PRO A 5 -8.485 2.986 -2.713 1.00 0.46 C ATOM 76 CG PRO A 5 -9.037 2.067 -1.680 1.00 0.71 C ATOM 77 CD PRO A 5 -9.570 0.880 -2.428 1.00 0.43 C ATOM 0 HA PRO A 5 -10.153 3.552 -4.049 1.00 0.39 H new ATOM 0 HB2 PRO A 5 -7.447 2.745 -2.943 1.00 0.46 H new ATOM 0 HB3 PRO A 5 -8.504 4.021 -2.372 1.00 0.46 H new ATOM 0 HG2 PRO A 5 -8.265 1.768 -0.971 1.00 0.71 H new ATOM 0 HG3 PRO A 5 -9.826 2.553 -1.106 1.00 0.71 H new ATOM 0 HD2 PRO A 5 -8.811 0.108 -2.553 1.00 0.43 H new ATOM 0 HD3 PRO A 5 -10.411 0.420 -1.909 1.00 0.43 H new ATOM 85 N GLY A 6 -7.822 3.957 -5.366 1.00 0.37 N ATOM 86 CA GLY A 6 -6.996 4.142 -6.545 1.00 0.39 C ATOM 87 C GLY A 6 -5.691 3.374 -6.471 1.00 0.42 C ATOM 88 O GLY A 6 -5.445 2.645 -5.510 1.00 0.66 O ATOM 0 H GLY A 6 -7.782 4.721 -4.692 1.00 0.37 H new ATOM 0 HA2 GLY A 6 -7.552 3.822 -7.427 1.00 0.39 H new ATOM 0 HA3 GLY A 6 -6.782 5.203 -6.671 1.00 0.39 H new ATOM 92 N LYS A 7 -4.853 3.539 -7.490 1.00 0.41 N ATOM 93 CA LYS A 7 -3.565 2.858 -7.541 1.00 0.44 C ATOM 94 C LYS A 7 -2.579 3.478 -6.551 1.00 0.37 C ATOM 95 O LYS A 7 -2.457 4.701 -6.480 1.00 0.42 O ATOM 96 CB LYS A 7 -2.990 2.924 -8.957 1.00 0.54 C ATOM 97 CG LYS A 7 -1.914 1.885 -9.226 1.00 0.64 C ATOM 98 CD LYS A 7 -0.838 2.427 -10.152 1.00 1.01 C ATOM 99 CE LYS A 7 0.316 1.449 -10.297 1.00 0.95 C ATOM 100 NZ LYS A 7 0.958 1.548 -11.637 1.00 1.52 N ATOM 0 H LYS A 7 -5.044 4.139 -8.292 1.00 0.41 H new ATOM 0 HA LYS A 7 -3.721 1.815 -7.264 1.00 0.44 H new ATOM 0 HB2 LYS A 7 -3.799 2.791 -9.675 1.00 0.54 H new ATOM 0 HB3 LYS A 7 -2.574 3.917 -9.125 1.00 0.54 H new ATOM 0 HG2 LYS A 7 -1.462 1.575 -8.284 1.00 0.64 H new ATOM 0 HG3 LYS A 7 -2.366 0.998 -9.671 1.00 0.64 H new ATOM 0 HD2 LYS A 7 -1.269 2.631 -11.132 1.00 1.01 H new ATOM 0 HD3 LYS A 7 -0.466 3.375 -9.764 1.00 1.01 H new ATOM 0 HE2 LYS A 7 1.058 1.645 -9.523 1.00 0.95 H new ATOM 0 HE3 LYS A 7 -0.047 0.433 -10.142 1.00 0.95 H new ATOM 0 HZ1 LYS A 7 1.741 0.866 -11.698 1.00 1.52 H new ATOM 0 HZ2 LYS A 7 0.256 1.337 -12.375 1.00 1.52 H new ATOM 0 HZ3 LYS A 7 1.326 2.511 -11.775 1.00 1.52 H new ATOM 114 N PRO A 8 -1.860 2.653 -5.765 1.00 0.34 N ATOM 115 CA PRO A 8 -0.891 3.144 -4.776 1.00 0.32 C ATOM 116 C PRO A 8 0.413 3.598 -5.427 1.00 0.33 C ATOM 117 O PRO A 8 0.991 2.881 -6.243 1.00 0.44 O ATOM 118 CB PRO A 8 -0.650 1.918 -3.872 1.00 0.39 C ATOM 119 CG PRO A 8 -1.671 0.908 -4.299 1.00 0.44 C ATOM 120 CD PRO A 8 -1.916 1.183 -5.747 1.00 0.41 C ATOM 0 HA PRO A 8 -1.259 4.017 -4.237 1.00 0.32 H new ATOM 0 HB2 PRO A 8 0.362 1.531 -3.995 1.00 0.39 H new ATOM 0 HB3 PRO A 8 -0.767 2.176 -2.819 1.00 0.39 H new ATOM 0 HG2 PRO A 8 -1.306 -0.108 -4.148 1.00 0.44 H new ATOM 0 HG3 PRO A 8 -2.589 1.007 -3.719 1.00 0.44 H new ATOM 0 HD2 PRO A 8 -1.157 0.733 -6.387 1.00 0.41 H new ATOM 0 HD3 PRO A 8 -2.881 0.803 -6.082 1.00 0.41 H new ATOM 128 N VAL A 9 0.871 4.799 -5.070 1.00 0.34 N ATOM 129 CA VAL A 9 2.107 5.335 -5.639 1.00 0.38 C ATOM 130 C VAL A 9 2.933 6.083 -4.595 1.00 0.34 C ATOM 131 O VAL A 9 2.583 7.198 -4.201 1.00 0.35 O ATOM 132 CB VAL A 9 1.825 6.300 -6.811 1.00 0.43 C ATOM 133 CG1 VAL A 9 3.014 6.347 -7.759 1.00 0.53 C ATOM 134 CG2 VAL A 9 0.557 5.908 -7.553 1.00 1.09 C ATOM 0 H VAL A 9 0.411 5.412 -4.397 1.00 0.34 H new ATOM 0 HA VAL A 9 2.668 4.473 -6.000 1.00 0.38 H new ATOM 0 HB VAL A 9 1.673 7.297 -6.399 1.00 0.43 H new ATOM 0 HG11 VAL A 9 2.799 7.032 -8.579 1.00 0.53 H new ATOM 0 HG12 VAL A 9 3.896 6.693 -7.220 1.00 0.53 H new ATOM 0 HG13 VAL A 9 3.201 5.350 -8.158 1.00 0.53 H new ATOM 0 HG21 VAL A 9 0.385 6.606 -8.373 1.00 1.09 H new ATOM 0 HG22 VAL A 9 0.666 4.899 -7.952 1.00 1.09 H new ATOM 0 HG23 VAL A 9 -0.290 5.938 -6.867 1.00 1.09 H new ATOM 144 N PRO A 10 4.043 5.486 -4.126 1.00 0.34 N ATOM 145 CA PRO A 10 4.899 6.113 -3.134 1.00 0.32 C ATOM 146 C PRO A 10 5.166 7.589 -3.430 1.00 0.37 C ATOM 147 O PRO A 10 5.551 7.943 -4.545 1.00 0.64 O ATOM 148 CB PRO A 10 6.208 5.344 -3.230 1.00 0.38 C ATOM 149 CG PRO A 10 5.859 4.012 -3.801 1.00 0.39 C ATOM 150 CD PRO A 10 4.537 4.156 -4.519 1.00 0.42 C ATOM 0 HA PRO A 10 4.432 6.083 -2.150 1.00 0.32 H new ATOM 0 HB2 PRO A 10 6.922 5.867 -3.866 1.00 0.38 H new ATOM 0 HB3 PRO A 10 6.672 5.239 -2.249 1.00 0.38 H new ATOM 0 HG2 PRO A 10 6.634 3.675 -4.489 1.00 0.39 H new ATOM 0 HG3 PRO A 10 5.787 3.264 -3.012 1.00 0.39 H new ATOM 0 HD2 PRO A 10 4.663 4.083 -5.599 1.00 0.42 H new ATOM 0 HD3 PRO A 10 3.839 3.372 -4.226 1.00 0.42 H new ATOM 158 N LEU A 11 4.996 8.443 -2.426 1.00 0.34 N ATOM 159 CA LEU A 11 5.263 9.867 -2.588 1.00 0.43 C ATOM 160 C LEU A 11 6.717 10.123 -2.224 1.00 0.43 C ATOM 161 O LEU A 11 7.375 11.004 -2.779 1.00 0.57 O ATOM 162 CB LEU A 11 4.347 10.712 -1.699 1.00 0.56 C ATOM 163 CG LEU A 11 2.968 10.115 -1.424 1.00 0.92 C ATOM 164 CD1 LEU A 11 2.331 10.796 -0.224 1.00 1.12 C ATOM 165 CD2 LEU A 11 2.077 10.242 -2.650 1.00 1.64 C ATOM 0 H LEU A 11 4.676 8.175 -1.495 1.00 0.34 H new ATOM 0 HA LEU A 11 5.069 10.152 -3.622 1.00 0.43 H new ATOM 0 HB2 LEU A 11 4.848 10.880 -0.746 1.00 0.56 H new ATOM 0 HB3 LEU A 11 4.215 11.688 -2.166 1.00 0.56 H new ATOM 0 HG LEU A 11 3.086 9.055 -1.198 1.00 0.92 H new ATOM 0 HD11 LEU A 11 1.349 10.362 -0.038 1.00 1.12 H new ATOM 0 HD12 LEU A 11 2.963 10.653 0.653 1.00 1.12 H new ATOM 0 HD13 LEU A 11 2.224 11.862 -0.425 1.00 1.12 H new ATOM 0 HD21 LEU A 11 1.099 9.811 -2.435 1.00 1.64 H new ATOM 0 HD22 LEU A 11 1.961 11.295 -2.908 1.00 1.64 H new ATOM 0 HD23 LEU A 11 2.531 9.711 -3.487 1.00 1.64 H new ATOM 177 N ASN A 12 7.202 9.317 -1.285 1.00 0.34 N ATOM 178 CA ASN A 12 8.572 9.390 -0.813 1.00 0.36 C ATOM 179 C ASN A 12 9.005 7.998 -0.384 1.00 0.37 C ATOM 180 O ASN A 12 8.162 7.139 -0.145 1.00 0.58 O ATOM 181 CB ASN A 12 8.689 10.370 0.354 1.00 0.42 C ATOM 182 CG ASN A 12 10.132 10.649 0.728 1.00 0.58 C ATOM 183 OD1 ASN A 12 10.726 9.755 1.510 1.00 0.72 O flip ATOM 184 ND2 ASN A 12 10.706 11.657 0.317 1.00 0.71 N flip ATOM 0 H ASN A 12 6.648 8.591 -0.830 1.00 0.34 H new ATOM 0 HA ASN A 12 9.219 9.751 -1.613 1.00 0.36 H new ATOM 0 HB2 ASN A 12 8.197 11.306 0.090 1.00 0.42 H new ATOM 0 HB3 ASN A 12 8.163 9.966 1.219 1.00 0.42 H new ATOM 0 HD21 ASN A 12 10.211 12.317 -0.282 1.00 0.71 H new ATOM 0 HD22 ASN A 12 11.677 11.832 0.575 1.00 0.71 H new ATOM 191 N ILE A 13 10.304 7.761 -0.292 1.00 0.38 N ATOM 192 CA ILE A 13 10.791 6.447 0.106 1.00 0.43 C ATOM 193 C ILE A 13 12.039 6.551 0.979 1.00 0.53 C ATOM 194 O ILE A 13 13.154 6.695 0.477 1.00 0.75 O ATOM 195 CB ILE A 13 11.082 5.563 -1.125 1.00 0.48 C ATOM 196 CG1 ILE A 13 11.749 6.389 -2.239 1.00 0.49 C ATOM 197 CG2 ILE A 13 9.792 4.914 -1.620 1.00 0.53 C ATOM 198 CD1 ILE A 13 10.778 7.147 -3.127 1.00 0.96 C ATOM 0 H ILE A 13 11.032 8.449 -0.484 1.00 0.38 H new ATOM 0 HA ILE A 13 10.001 5.980 0.693 1.00 0.43 H new ATOM 0 HB ILE A 13 11.775 4.773 -0.836 1.00 0.48 H new ATOM 0 HG12 ILE A 13 12.437 7.101 -1.784 1.00 0.49 H new ATOM 0 HG13 ILE A 13 12.346 5.722 -2.861 1.00 0.49 H new ATOM 0 HG21 ILE A 13 10.008 4.292 -2.489 1.00 0.53 H new ATOM 0 HG22 ILE A 13 9.368 4.296 -0.828 1.00 0.53 H new ATOM 0 HG23 ILE A 13 9.078 5.689 -1.897 1.00 0.53 H new ATOM 0 HD11 ILE A 13 11.334 7.701 -3.884 1.00 0.96 H new ATOM 0 HD12 ILE A 13 10.105 6.442 -3.615 1.00 0.96 H new ATOM 0 HD13 ILE A 13 10.198 7.843 -2.521 1.00 0.96 H new ATOM 210 N THR A 14 11.833 6.479 2.293 1.00 0.59 N ATOM 211 CA THR A 14 12.928 6.569 3.257 1.00 0.71 C ATOM 212 C THR A 14 13.549 5.209 3.531 1.00 0.79 C ATOM 213 O THR A 14 13.751 4.843 4.686 1.00 1.46 O ATOM 214 CB THR A 14 12.435 7.188 4.565 1.00 0.75 C ATOM 215 OG1 THR A 14 11.129 7.711 4.411 1.00 0.69 O ATOM 216 CG2 THR A 14 13.322 8.304 5.072 1.00 0.94 C ATOM 0 H THR A 14 10.913 6.358 2.716 1.00 0.59 H new ATOM 0 HA THR A 14 13.696 7.208 2.821 1.00 0.71 H new ATOM 0 HB THR A 14 12.451 6.376 5.292 1.00 0.75 H new ATOM 0 HG1 THR A 14 10.472 7.004 4.580 1.00 0.69 H new ATOM 0 HG21 THR A 14 12.914 8.698 6.003 1.00 0.94 H new ATOM 0 HG22 THR A 14 14.326 7.919 5.250 1.00 0.94 H new ATOM 0 HG23 THR A 14 13.366 9.100 4.329 1.00 0.94 H new ATOM 224 N ARG A 15 13.868 4.488 2.457 1.00 0.66 N ATOM 225 CA ARG A 15 14.495 3.167 2.545 1.00 0.67 C ATOM 226 C ARG A 15 13.718 2.214 3.456 1.00 0.71 C ATOM 227 O ARG A 15 13.036 1.305 2.982 1.00 1.19 O ATOM 228 CB ARG A 15 15.955 3.263 3.034 1.00 0.80 C ATOM 229 CG ARG A 15 16.541 4.669 3.104 1.00 0.96 C ATOM 230 CD ARG A 15 16.932 5.041 4.524 1.00 1.13 C ATOM 231 NE ARG A 15 17.674 6.297 4.569 1.00 1.43 N ATOM 232 CZ ARG A 15 18.438 6.666 5.589 1.00 1.67 C ATOM 233 NH1 ARG A 15 18.561 5.878 6.649 1.00 2.42 N ATOM 234 NH2 ARG A 15 19.081 7.823 5.549 1.00 1.90 N ATOM 0 H ARG A 15 13.700 4.802 1.501 1.00 0.66 H new ATOM 0 HA ARG A 15 14.482 2.762 1.533 1.00 0.67 H new ATOM 0 HB2 ARG A 15 16.016 2.815 4.026 1.00 0.80 H new ATOM 0 HB3 ARG A 15 16.580 2.662 2.373 1.00 0.80 H new ATOM 0 HG2 ARG A 15 17.416 4.732 2.457 1.00 0.96 H new ATOM 0 HG3 ARG A 15 15.813 5.387 2.727 1.00 0.96 H new ATOM 0 HD2 ARG A 15 16.035 5.126 5.138 1.00 1.13 H new ATOM 0 HD3 ARG A 15 17.539 4.244 4.955 1.00 1.13 H new ATOM 0 HE ARG A 15 17.601 6.927 3.770 1.00 1.43 H new ATOM 0 HH11 ARG A 15 18.068 4.986 6.681 1.00 2.42 H new ATOM 0 HH12 ARG A 15 19.149 6.164 7.432 1.00 2.42 H new ATOM 0 HH21 ARG A 15 18.989 8.430 4.734 1.00 1.90 H new ATOM 0 HH22 ARG A 15 19.669 8.107 6.333 1.00 1.90 H new ATOM 248 N HIS A 16 13.835 2.427 4.761 1.00 0.50 N ATOM 249 CA HIS A 16 13.157 1.589 5.748 1.00 0.54 C ATOM 250 C HIS A 16 11.655 1.855 5.765 1.00 0.57 C ATOM 251 O HIS A 16 10.852 0.931 5.893 1.00 0.97 O ATOM 252 CB HIS A 16 13.747 1.826 7.141 1.00 0.67 C ATOM 253 CG HIS A 16 14.934 0.964 7.439 1.00 0.68 C ATOM 254 ND1 HIS A 16 15.050 0.173 8.562 1.00 0.97 N ATOM 255 CD2 HIS A 16 16.076 0.775 6.730 1.00 0.78 C ATOM 256 CE1 HIS A 16 16.232 -0.456 8.500 1.00 1.02 C ATOM 257 NE2 HIS A 16 16.893 -0.125 7.408 1.00 0.86 N ATOM 0 H HIS A 16 14.396 3.177 5.164 1.00 0.50 H new ATOM 0 HA HIS A 16 13.313 0.548 5.465 1.00 0.54 H new ATOM 0 HB2 HIS A 16 14.036 2.873 7.232 1.00 0.67 H new ATOM 0 HB3 HIS A 16 12.977 1.642 7.890 1.00 0.67 H new ATOM 0 HD2 HIS A 16 16.313 1.248 5.789 1.00 0.78 H new ATOM 0 HE1 HIS A 16 16.596 -1.145 9.248 1.00 1.02 H new ATOM 0 HE2 HIS A 16 17.813 -0.459 7.120 1.00 0.86 H new ATOM 265 N THR A 17 11.279 3.120 5.635 1.00 0.43 N ATOM 266 CA THR A 17 9.872 3.500 5.631 1.00 0.42 C ATOM 267 C THR A 17 9.551 4.308 4.384 1.00 0.38 C ATOM 268 O THR A 17 10.110 5.385 4.177 1.00 0.56 O ATOM 269 CB THR A 17 9.531 4.312 6.882 1.00 0.56 C ATOM 270 OG1 THR A 17 10.198 5.562 6.865 1.00 0.65 O ATOM 271 CG2 THR A 17 9.902 3.611 8.171 1.00 0.68 C ATOM 0 H THR A 17 11.928 3.900 5.531 1.00 0.43 H new ATOM 0 HA THR A 17 9.270 2.591 5.631 1.00 0.42 H new ATOM 0 HB THR A 17 8.449 4.441 6.857 1.00 0.56 H new ATOM 0 HG1 THR A 17 10.575 5.720 5.974 1.00 0.65 H new ATOM 0 HG21 THR A 17 9.633 4.242 9.018 1.00 0.68 H new ATOM 0 HG22 THR A 17 9.365 2.665 8.238 1.00 0.68 H new ATOM 0 HG23 THR A 17 10.975 3.421 8.186 1.00 0.68 H new ATOM 279 N VAL A 18 8.657 3.793 3.545 1.00 0.27 N ATOM 280 CA VAL A 18 8.305 4.502 2.326 1.00 0.33 C ATOM 281 C VAL A 18 6.909 5.112 2.392 1.00 0.32 C ATOM 282 O VAL A 18 5.955 4.481 2.837 1.00 0.51 O ATOM 283 CB VAL A 18 8.442 3.609 1.068 1.00 0.44 C ATOM 284 CG1 VAL A 18 9.796 2.918 1.040 1.00 0.46 C ATOM 285 CG2 VAL A 18 7.305 2.621 0.904 1.00 0.80 C ATOM 0 H VAL A 18 8.174 2.906 3.685 1.00 0.27 H new ATOM 0 HA VAL A 18 9.023 5.318 2.240 1.00 0.33 H new ATOM 0 HB VAL A 18 8.377 4.274 0.207 1.00 0.44 H new ATOM 0 HG11 VAL A 18 9.869 2.296 0.148 1.00 0.46 H new ATOM 0 HG12 VAL A 18 10.587 3.668 1.026 1.00 0.46 H new ATOM 0 HG13 VAL A 18 9.904 2.294 1.927 1.00 0.46 H new ATOM 0 HG21 VAL A 18 7.465 2.028 0.003 1.00 0.80 H new ATOM 0 HG22 VAL A 18 7.269 1.961 1.771 1.00 0.80 H new ATOM 0 HG23 VAL A 18 6.362 3.162 0.820 1.00 0.80 H new ATOM 295 N THR A 19 6.804 6.353 1.936 1.00 0.27 N ATOM 296 CA THR A 19 5.534 7.062 1.921 1.00 0.24 C ATOM 297 C THR A 19 4.826 6.820 0.599 1.00 0.22 C ATOM 298 O THR A 19 5.476 6.731 -0.440 1.00 0.34 O ATOM 299 CB THR A 19 5.750 8.561 2.113 1.00 0.28 C ATOM 300 OG1 THR A 19 6.195 8.844 3.429 1.00 0.35 O ATOM 301 CG2 THR A 19 4.495 9.370 1.859 1.00 0.32 C ATOM 0 H THR A 19 7.589 6.891 1.570 1.00 0.27 H new ATOM 0 HA THR A 19 4.921 6.688 2.741 1.00 0.24 H new ATOM 0 HB THR A 19 6.506 8.847 1.382 1.00 0.28 H new ATOM 0 HG1 THR A 19 6.328 9.810 3.529 1.00 0.35 H new ATOM 0 HG21 THR A 19 4.708 10.428 2.010 1.00 0.32 H new ATOM 0 HG22 THR A 19 4.160 9.210 0.834 1.00 0.32 H new ATOM 0 HG23 THR A 19 3.713 9.055 2.550 1.00 0.32 H new ATOM 309 N LEU A 20 3.498 6.721 0.644 1.00 0.28 N ATOM 310 CA LEU A 20 2.709 6.486 -0.561 1.00 0.26 C ATOM 311 C LEU A 20 1.323 7.096 -0.449 1.00 0.28 C ATOM 312 O LEU A 20 0.827 7.355 0.650 1.00 0.40 O ATOM 313 CB LEU A 20 2.590 4.988 -0.872 1.00 0.33 C ATOM 314 CG LEU A 20 3.371 4.038 0.046 1.00 0.39 C ATOM 315 CD1 LEU A 20 2.435 3.055 0.724 1.00 0.52 C ATOM 316 CD2 LEU A 20 4.439 3.322 -0.753 1.00 0.50 C ATOM 0 H LEU A 20 2.949 6.800 1.500 1.00 0.28 H new ATOM 0 HA LEU A 20 3.238 6.972 -1.381 1.00 0.26 H new ATOM 0 HB2 LEU A 20 1.536 4.713 -0.832 1.00 0.33 H new ATOM 0 HB3 LEU A 20 2.923 4.824 -1.897 1.00 0.33 H new ATOM 0 HG LEU A 20 3.857 4.618 0.831 1.00 0.39 H new ATOM 0 HD11 LEU A 20 3.010 2.391 1.370 1.00 0.52 H new ATOM 0 HD12 LEU A 20 1.705 3.601 1.322 1.00 0.52 H new ATOM 0 HD13 LEU A 20 1.916 2.466 -0.032 1.00 0.52 H new ATOM 0 HD21 LEU A 20 4.992 2.648 -0.099 1.00 0.50 H new ATOM 0 HD22 LEU A 20 3.971 2.748 -1.553 1.00 0.50 H new ATOM 0 HD23 LEU A 20 5.123 4.053 -1.183 1.00 0.50 H new ATOM 328 N LYS A 21 0.702 7.322 -1.601 1.00 0.25 N ATOM 329 CA LYS A 21 -0.629 7.902 -1.642 1.00 0.31 C ATOM 330 C LYS A 21 -1.388 7.427 -2.874 1.00 0.31 C ATOM 331 O LYS A 21 -0.799 7.205 -3.933 1.00 0.51 O ATOM 332 CB LYS A 21 -0.535 9.429 -1.639 1.00 0.40 C ATOM 333 CG LYS A 21 -1.769 10.116 -1.084 1.00 0.81 C ATOM 334 CD LYS A 21 -2.957 9.950 -2.014 1.00 0.95 C ATOM 335 CE LYS A 21 -3.646 11.278 -2.283 1.00 1.26 C ATOM 336 NZ LYS A 21 -4.191 11.883 -1.037 1.00 1.84 N ATOM 0 H LYS A 21 1.101 7.112 -2.516 1.00 0.25 H new ATOM 0 HA LYS A 21 -1.174 7.576 -0.756 1.00 0.31 H new ATOM 0 HB2 LYS A 21 0.332 9.729 -1.051 1.00 0.40 H new ATOM 0 HB3 LYS A 21 -0.365 9.776 -2.658 1.00 0.40 H new ATOM 0 HG2 LYS A 21 -2.010 9.701 -0.105 1.00 0.81 H new ATOM 0 HG3 LYS A 21 -1.563 11.177 -0.939 1.00 0.81 H new ATOM 0 HD2 LYS A 21 -2.624 9.514 -2.956 1.00 0.95 H new ATOM 0 HD3 LYS A 21 -3.670 9.252 -1.574 1.00 0.95 H new ATOM 0 HE2 LYS A 21 -2.938 11.968 -2.742 1.00 1.26 H new ATOM 0 HE3 LYS A 21 -4.455 11.129 -2.998 1.00 1.26 H new ATOM 0 HZ1 LYS A 21 -4.946 12.556 -1.279 1.00 1.84 H new ATOM 0 HZ2 LYS A 21 -4.577 11.134 -0.427 1.00 1.84 H new ATOM 0 HZ3 LYS A 21 -3.431 12.383 -0.533 1.00 1.84 H new ATOM 350 N TRP A 22 -2.700 7.272 -2.730 1.00 0.25 N ATOM 351 CA TRP A 22 -3.540 6.828 -3.831 1.00 0.24 C ATOM 352 C TRP A 22 -4.821 7.649 -3.908 1.00 0.24 C ATOM 353 O TRP A 22 -5.008 8.597 -3.146 1.00 0.40 O ATOM 354 CB TRP A 22 -3.882 5.349 -3.685 1.00 0.27 C ATOM 355 CG TRP A 22 -4.373 4.961 -2.325 1.00 0.26 C ATOM 356 CD1 TRP A 22 -5.659 4.679 -1.974 1.00 0.32 C ATOM 357 CD2 TRP A 22 -3.587 4.799 -1.138 1.00 0.25 C ATOM 358 NE1 TRP A 22 -5.724 4.350 -0.641 1.00 0.33 N ATOM 359 CE2 TRP A 22 -4.465 4.418 -0.105 1.00 0.28 C ATOM 360 CE3 TRP A 22 -2.228 4.940 -0.847 1.00 0.27 C ATOM 361 CZ2 TRP A 22 -4.025 4.176 1.195 1.00 0.31 C ATOM 362 CZ3 TRP A 22 -1.796 4.698 0.446 1.00 0.31 C ATOM 363 CH2 TRP A 22 -2.697 4.318 1.451 1.00 0.32 C ATOM 0 H TRP A 22 -3.203 7.448 -1.860 1.00 0.25 H new ATOM 0 HA TRP A 22 -2.979 6.973 -4.754 1.00 0.24 H new ATOM 0 HB2 TRP A 22 -4.643 5.090 -4.421 1.00 0.27 H new ATOM 0 HB3 TRP A 22 -2.997 4.758 -3.921 1.00 0.27 H new ATOM 0 HD1 TRP A 22 -6.504 4.710 -2.645 1.00 0.32 H new ATOM 0 HE1 TRP A 22 -6.572 4.096 -0.133 1.00 0.33 H new ATOM 0 HE3 TRP A 22 -1.528 5.232 -1.616 1.00 0.27 H new ATOM 0 HZ2 TRP A 22 -4.715 3.885 1.973 1.00 0.31 H new ATOM 0 HZ3 TRP A 22 -0.748 4.804 0.684 1.00 0.31 H new ATOM 0 HH2 TRP A 22 -2.329 4.134 2.449 1.00 0.32 H new ATOM 374 N ALA A 23 -5.702 7.279 -4.832 1.00 0.31 N ATOM 375 CA ALA A 23 -6.964 7.984 -5.001 1.00 0.33 C ATOM 376 C ALA A 23 -8.087 7.276 -4.258 1.00 0.36 C ATOM 377 O ALA A 23 -8.013 6.076 -3.998 1.00 0.83 O ATOM 378 CB ALA A 23 -7.306 8.119 -6.478 1.00 0.36 C ATOM 0 H ALA A 23 -5.564 6.497 -5.473 1.00 0.31 H new ATOM 0 HA ALA A 23 -6.853 8.982 -4.577 1.00 0.33 H new ATOM 0 HB1 ALA A 23 -8.253 8.649 -6.585 1.00 0.36 H new ATOM 0 HB2 ALA A 23 -6.518 8.677 -6.984 1.00 0.36 H new ATOM 0 HB3 ALA A 23 -7.392 7.128 -6.924 1.00 0.36 H new ATOM 384 N LYS A 24 -9.128 8.025 -3.913 1.00 0.59 N ATOM 385 CA LYS A 24 -10.260 7.461 -3.196 1.00 0.61 C ATOM 386 C LYS A 24 -11.164 6.671 -4.147 1.00 0.59 C ATOM 387 O LYS A 24 -11.242 6.973 -5.336 1.00 0.69 O ATOM 388 CB LYS A 24 -11.041 8.571 -2.466 1.00 0.74 C ATOM 389 CG LYS A 24 -12.192 9.180 -3.260 1.00 1.21 C ATOM 390 CD LYS A 24 -13.508 8.495 -2.931 1.00 1.22 C ATOM 391 CE LYS A 24 -14.687 9.208 -3.574 1.00 1.55 C ATOM 392 NZ LYS A 24 -15.980 8.823 -2.942 1.00 2.11 N ATOM 0 H LYS A 24 -9.210 9.021 -4.118 1.00 0.59 H new ATOM 0 HA LYS A 24 -9.886 6.766 -2.444 1.00 0.61 H new ATOM 0 HB2 LYS A 24 -11.437 8.164 -1.536 1.00 0.74 H new ATOM 0 HB3 LYS A 24 -10.346 9.366 -2.196 1.00 0.74 H new ATOM 0 HG2 LYS A 24 -12.267 10.245 -3.038 1.00 1.21 H new ATOM 0 HG3 LYS A 24 -11.989 9.090 -4.327 1.00 1.21 H new ATOM 0 HD2 LYS A 24 -13.476 7.461 -3.274 1.00 1.22 H new ATOM 0 HD3 LYS A 24 -13.644 8.468 -1.850 1.00 1.22 H new ATOM 0 HE2 LYS A 24 -14.549 10.286 -3.491 1.00 1.55 H new ATOM 0 HE3 LYS A 24 -14.718 8.972 -4.638 1.00 1.55 H new ATOM 0 HZ1 LYS A 24 -16.759 9.330 -3.408 1.00 2.11 H new ATOM 0 HZ2 LYS A 24 -16.124 7.798 -3.044 1.00 2.11 H new ATOM 0 HZ3 LYS A 24 -15.960 9.071 -1.932 1.00 2.11 H new ATOM 406 N PRO A 25 -11.854 5.642 -3.624 1.00 0.56 N ATOM 407 CA PRO A 25 -12.752 4.798 -4.418 1.00 0.63 C ATOM 408 C PRO A 25 -13.645 5.594 -5.366 1.00 0.75 C ATOM 409 O PRO A 25 -13.644 6.824 -5.359 1.00 0.89 O ATOM 410 CB PRO A 25 -13.593 4.100 -3.354 1.00 0.63 C ATOM 411 CG PRO A 25 -12.691 3.996 -2.173 1.00 0.71 C ATOM 412 CD PRO A 25 -11.805 5.215 -2.212 1.00 0.58 C ATOM 0 HA PRO A 25 -12.199 4.123 -5.071 1.00 0.63 H new ATOM 0 HB2 PRO A 25 -14.490 4.673 -3.119 1.00 0.63 H new ATOM 0 HB3 PRO A 25 -13.922 3.117 -3.690 1.00 0.63 H new ATOM 0 HG2 PRO A 25 -13.265 3.961 -1.247 1.00 0.71 H new ATOM 0 HG3 PRO A 25 -12.098 3.082 -2.215 1.00 0.71 H new ATOM 0 HD2 PRO A 25 -12.170 5.996 -1.545 1.00 0.58 H new ATOM 0 HD3 PRO A 25 -10.787 4.980 -1.900 1.00 0.58 H new ATOM 420 N GLU A 26 -14.409 4.878 -6.187 1.00 0.85 N ATOM 421 CA GLU A 26 -15.302 5.516 -7.145 1.00 1.05 C ATOM 422 C GLU A 26 -16.765 5.196 -6.848 1.00 0.95 C ATOM 423 O GLU A 26 -17.661 5.932 -7.261 1.00 1.12 O ATOM 424 CB GLU A 26 -14.951 5.073 -8.565 1.00 1.29 C ATOM 425 CG GLU A 26 -14.715 3.577 -8.694 1.00 1.83 C ATOM 426 CD GLU A 26 -15.278 3.005 -9.980 1.00 2.18 C ATOM 427 OE1 GLU A 26 -16.494 2.723 -10.023 1.00 2.53 O ATOM 428 OE2 GLU A 26 -14.501 2.839 -10.946 1.00 2.77 O ATOM 0 H GLU A 26 -14.426 3.858 -6.207 1.00 0.85 H new ATOM 0 HA GLU A 26 -15.169 6.594 -7.056 1.00 1.05 H new ATOM 0 HB2 GLU A 26 -15.758 5.365 -9.238 1.00 1.29 H new ATOM 0 HB3 GLU A 26 -14.056 5.603 -8.892 1.00 1.29 H new ATOM 0 HG2 GLU A 26 -13.644 3.377 -8.650 1.00 1.83 H new ATOM 0 HG3 GLU A 26 -15.169 3.067 -7.845 1.00 1.83 H new ATOM 435 N TYR A 27 -17.007 4.098 -6.137 1.00 0.85 N ATOM 436 CA TYR A 27 -18.372 3.704 -5.807 1.00 0.84 C ATOM 437 C TYR A 27 -18.465 3.060 -4.425 1.00 0.86 C ATOM 438 O TYR A 27 -19.110 3.598 -3.524 1.00 1.37 O ATOM 439 CB TYR A 27 -18.911 2.737 -6.860 1.00 0.86 C ATOM 440 CG TYR A 27 -20.413 2.588 -6.827 1.00 0.94 C ATOM 441 CD1 TYR A 27 -21.245 3.687 -7.004 1.00 1.15 C ATOM 442 CD2 TYR A 27 -21.000 1.346 -6.620 1.00 0.93 C ATOM 443 CE1 TYR A 27 -22.620 3.552 -6.974 1.00 1.28 C ATOM 444 CE2 TYR A 27 -22.375 1.203 -6.589 1.00 1.04 C ATOM 445 CZ TYR A 27 -23.180 2.317 -6.766 1.00 1.19 C ATOM 446 OH TYR A 27 -24.549 2.170 -6.737 1.00 1.35 O ATOM 0 H TYR A 27 -16.284 3.472 -5.782 1.00 0.85 H new ATOM 0 HA TYR A 27 -18.976 4.611 -5.795 1.00 0.84 H new ATOM 0 HB2 TYR A 27 -18.610 3.084 -7.849 1.00 0.86 H new ATOM 0 HB3 TYR A 27 -18.453 1.759 -6.712 1.00 0.86 H new ATOM 0 HD1 TYR A 27 -20.810 4.662 -7.168 1.00 1.15 H new ATOM 0 HD2 TYR A 27 -20.372 0.478 -6.481 1.00 0.93 H new ATOM 0 HE1 TYR A 27 -23.252 4.416 -7.114 1.00 1.28 H new ATOM 0 HE2 TYR A 27 -22.818 0.231 -6.428 1.00 1.04 H new ATOM 0 HH TYR A 27 -24.774 1.229 -6.580 1.00 1.35 H new ATOM 456 N THR A 28 -17.832 1.901 -4.267 1.00 0.65 N ATOM 457 CA THR A 28 -17.865 1.181 -2.997 1.00 0.61 C ATOM 458 C THR A 28 -19.301 0.882 -2.602 1.00 0.66 C ATOM 459 O THR A 28 -19.701 1.094 -1.458 1.00 0.81 O ATOM 460 CB THR A 28 -17.169 1.977 -1.892 1.00 0.64 C ATOM 461 OG1 THR A 28 -17.987 3.045 -1.448 1.00 0.91 O ATOM 462 CG2 THR A 28 -15.841 2.559 -2.317 1.00 0.79 C ATOM 0 H THR A 28 -17.292 1.441 -5.000 1.00 0.65 H new ATOM 0 HA THR A 28 -17.327 0.242 -3.127 1.00 0.61 H new ATOM 0 HB THR A 28 -16.991 1.259 -1.091 1.00 0.64 H new ATOM 0 HG1 THR A 28 -18.109 3.689 -2.177 1.00 0.91 H new ATOM 0 HG21 THR A 28 -15.403 3.111 -1.485 1.00 0.79 H new ATOM 0 HG22 THR A 28 -15.169 1.754 -2.613 1.00 0.79 H new ATOM 0 HG23 THR A 28 -15.992 3.233 -3.160 1.00 0.79 H new ATOM 470 N GLY A 29 -20.079 0.394 -3.566 1.00 0.75 N ATOM 471 CA GLY A 29 -21.469 0.077 -3.303 1.00 0.80 C ATOM 472 C GLY A 29 -22.187 1.220 -2.612 1.00 0.85 C ATOM 473 O GLY A 29 -22.656 2.155 -3.261 1.00 1.01 O ATOM 0 H GLY A 29 -19.771 0.214 -4.521 1.00 0.75 H new ATOM 0 HA2 GLY A 29 -21.973 -0.154 -4.242 1.00 0.80 H new ATOM 0 HA3 GLY A 29 -21.527 -0.817 -2.682 1.00 0.80 H new ATOM 477 N GLY A 30 -22.254 1.151 -1.290 1.00 0.83 N ATOM 478 CA GLY A 30 -22.897 2.194 -0.512 1.00 0.89 C ATOM 479 C GLY A 30 -22.174 2.413 0.799 1.00 0.85 C ATOM 480 O GLY A 30 -22.765 2.855 1.785 1.00 0.98 O ATOM 0 H GLY A 30 -21.871 0.384 -0.737 1.00 0.83 H new ATOM 0 HA2 GLY A 30 -22.912 3.122 -1.083 1.00 0.89 H new ATOM 0 HA3 GLY A 30 -23.935 1.922 -0.319 1.00 0.89 H new ATOM 484 N PHE A 31 -20.887 2.080 0.803 1.00 0.73 N ATOM 485 CA PHE A 31 -20.050 2.204 1.986 1.00 0.69 C ATOM 486 C PHE A 31 -19.131 3.418 1.900 1.00 0.67 C ATOM 487 O PHE A 31 -19.186 4.191 0.944 1.00 0.74 O ATOM 488 CB PHE A 31 -19.204 0.940 2.149 1.00 0.63 C ATOM 489 CG PHE A 31 -19.851 -0.297 1.581 1.00 0.67 C ATOM 490 CD1 PHE A 31 -20.892 -0.927 2.252 1.00 0.79 C ATOM 491 CD2 PHE A 31 -19.409 -0.836 0.383 1.00 0.64 C ATOM 492 CE1 PHE A 31 -21.476 -2.067 1.734 1.00 0.87 C ATOM 493 CE2 PHE A 31 -19.991 -1.976 -0.137 1.00 0.73 C ATOM 494 CZ PHE A 31 -21.063 -2.568 0.530 1.00 0.83 C ATOM 0 H PHE A 31 -20.397 1.717 -0.015 1.00 0.73 H new ATOM 0 HA PHE A 31 -20.705 2.334 2.848 1.00 0.69 H new ATOM 0 HB2 PHE A 31 -18.241 1.092 1.662 1.00 0.63 H new ATOM 0 HB3 PHE A 31 -19.004 0.781 3.209 1.00 0.63 H new ATOM 0 HD1 PHE A 31 -21.248 -0.522 3.188 1.00 0.79 H new ATOM 0 HD2 PHE A 31 -18.600 -0.359 -0.150 1.00 0.64 H new ATOM 0 HE1 PHE A 31 -22.262 -2.565 2.282 1.00 0.87 H new ATOM 0 HE2 PHE A 31 -19.618 -2.406 -1.055 1.00 0.73 H new ATOM 0 HZ PHE A 31 -21.566 -3.420 0.097 1.00 0.83 H new ATOM 504 N LYS A 32 -18.284 3.570 2.914 1.00 0.68 N ATOM 505 CA LYS A 32 -17.341 4.680 2.971 1.00 0.72 C ATOM 506 C LYS A 32 -15.923 4.205 3.302 1.00 0.66 C ATOM 507 O LYS A 32 -15.006 5.019 3.413 1.00 0.74 O ATOM 508 CB LYS A 32 -17.798 5.698 4.015 1.00 0.86 C ATOM 509 CG LYS A 32 -16.880 6.902 4.126 1.00 1.38 C ATOM 510 CD LYS A 32 -16.123 6.903 5.442 1.00 1.38 C ATOM 511 CE LYS A 32 -14.644 7.180 5.233 1.00 1.50 C ATOM 512 NZ LYS A 32 -14.252 8.521 5.746 1.00 2.26 N ATOM 0 H LYS A 32 -18.232 2.935 3.710 1.00 0.68 H new ATOM 0 HA LYS A 32 -17.318 5.145 1.985 1.00 0.72 H new ATOM 0 HB2 LYS A 32 -18.803 6.038 3.764 1.00 0.86 H new ATOM 0 HB3 LYS A 32 -17.861 5.208 4.986 1.00 0.86 H new ATOM 0 HG2 LYS A 32 -16.172 6.899 3.297 1.00 1.38 H new ATOM 0 HG3 LYS A 32 -17.466 7.817 4.041 1.00 1.38 H new ATOM 0 HD2 LYS A 32 -16.545 7.658 6.105 1.00 1.38 H new ATOM 0 HD3 LYS A 32 -16.248 5.939 5.935 1.00 1.38 H new ATOM 0 HE2 LYS A 32 -14.056 6.413 5.737 1.00 1.50 H new ATOM 0 HE3 LYS A 32 -14.409 7.115 4.171 1.00 1.50 H new ATOM 0 HZ1 LYS A 32 -13.236 8.671 5.584 1.00 2.26 H new ATOM 0 HZ2 LYS A 32 -14.794 9.255 5.248 1.00 2.26 H new ATOM 0 HZ3 LYS A 32 -14.452 8.575 6.765 1.00 2.26 H new ATOM 526 N ILE A 33 -15.743 2.892 3.466 1.00 0.67 N ATOM 527 CA ILE A 33 -14.436 2.332 3.789 1.00 0.66 C ATOM 528 C ILE A 33 -13.916 2.888 5.110 1.00 0.80 C ATOM 529 O ILE A 33 -14.168 4.041 5.458 1.00 1.71 O ATOM 530 CB ILE A 33 -13.402 2.603 2.674 1.00 0.59 C ATOM 531 CG1 ILE A 33 -13.868 1.962 1.363 1.00 0.79 C ATOM 532 CG2 ILE A 33 -12.026 2.075 3.074 1.00 0.58 C ATOM 533 CD1 ILE A 33 -12.834 2.009 0.260 1.00 0.91 C ATOM 0 H ILE A 33 -16.488 2.200 3.380 1.00 0.67 H new ATOM 0 HA ILE A 33 -14.569 1.254 3.879 1.00 0.66 H new ATOM 0 HB ILE A 33 -13.319 3.680 2.527 1.00 0.59 H new ATOM 0 HG12 ILE A 33 -14.136 0.923 1.553 1.00 0.79 H new ATOM 0 HG13 ILE A 33 -14.772 2.468 1.023 1.00 0.79 H new ATOM 0 HG21 ILE A 33 -11.313 2.276 2.275 1.00 0.58 H new ATOM 0 HG22 ILE A 33 -11.697 2.571 3.987 1.00 0.58 H new ATOM 0 HG23 ILE A 33 -12.085 1.000 3.246 1.00 0.58 H new ATOM 0 HD11 ILE A 33 -13.236 1.536 -0.636 1.00 0.91 H new ATOM 0 HD12 ILE A 33 -12.582 3.047 0.041 1.00 0.91 H new ATOM 0 HD13 ILE A 33 -11.937 1.478 0.579 1.00 0.91 H new ATOM 545 N THR A 34 -13.192 2.054 5.847 1.00 0.72 N ATOM 546 CA THR A 34 -12.643 2.464 7.133 1.00 0.73 C ATOM 547 C THR A 34 -11.230 1.922 7.343 1.00 0.59 C ATOM 548 O THR A 34 -10.782 1.785 8.482 1.00 0.76 O ATOM 549 CB THR A 34 -13.551 1.990 8.270 1.00 0.99 C ATOM 550 OG1 THR A 34 -13.241 0.656 8.635 1.00 1.09 O ATOM 551 CG2 THR A 34 -15.024 2.040 7.924 1.00 1.15 C ATOM 0 H THR A 34 -12.972 1.095 5.578 1.00 0.72 H new ATOM 0 HA THR A 34 -12.591 3.553 7.135 1.00 0.73 H new ATOM 0 HB THR A 34 -13.365 2.680 9.093 1.00 0.99 H new ATOM 0 HG1 THR A 34 -13.830 0.371 9.364 1.00 1.09 H new ATOM 0 HG21 THR A 34 -15.610 1.691 8.774 1.00 1.15 H new ATOM 0 HG22 THR A 34 -15.307 3.065 7.685 1.00 1.15 H new ATOM 0 HG23 THR A 34 -15.217 1.400 7.063 1.00 1.15 H new ATOM 559 N SER A 35 -10.525 1.615 6.253 1.00 0.49 N ATOM 560 CA SER A 35 -9.164 1.092 6.371 1.00 0.47 C ATOM 561 C SER A 35 -8.565 0.695 5.023 1.00 0.45 C ATOM 562 O SER A 35 -9.107 -0.158 4.318 1.00 0.72 O ATOM 563 CB SER A 35 -9.153 -0.125 7.299 1.00 0.64 C ATOM 564 OG SER A 35 -10.459 -0.640 7.480 1.00 1.58 O ATOM 0 H SER A 35 -10.865 1.717 5.297 1.00 0.49 H new ATOM 0 HA SER A 35 -8.552 1.895 6.782 1.00 0.47 H new ATOM 0 HB2 SER A 35 -8.508 -0.899 6.882 1.00 0.64 H new ATOM 0 HB3 SER A 35 -8.732 0.154 8.265 1.00 0.64 H new ATOM 0 HG SER A 35 -10.424 -1.417 8.076 1.00 1.58 H new ATOM 570 N TYR A 36 -7.425 1.297 4.687 1.00 0.27 N ATOM 571 CA TYR A 36 -6.725 0.985 3.444 1.00 0.28 C ATOM 572 C TYR A 36 -5.500 0.138 3.763 1.00 0.33 C ATOM 573 O TYR A 36 -4.402 0.661 3.943 1.00 0.68 O ATOM 574 CB TYR A 36 -6.308 2.254 2.698 1.00 0.29 C ATOM 575 CG TYR A 36 -7.467 3.095 2.219 1.00 0.33 C ATOM 576 CD1 TYR A 36 -8.567 2.505 1.610 1.00 0.53 C ATOM 577 CD2 TYR A 36 -7.466 4.474 2.377 1.00 0.57 C ATOM 578 CE1 TYR A 36 -9.632 3.265 1.172 1.00 0.64 C ATOM 579 CE2 TYR A 36 -8.528 5.243 1.941 1.00 0.67 C ATOM 580 CZ TYR A 36 -9.591 4.654 1.332 1.00 0.60 C ATOM 581 OH TYR A 36 -10.669 5.396 0.905 1.00 0.76 O ATOM 0 H TYR A 36 -6.966 2.005 5.260 1.00 0.27 H new ATOM 0 HA TYR A 36 -7.403 0.432 2.794 1.00 0.28 H new ATOM 0 HB2 TYR A 36 -5.680 2.858 3.353 1.00 0.29 H new ATOM 0 HB3 TYR A 36 -5.697 1.974 1.840 1.00 0.29 H new ATOM 0 HD1 TYR A 36 -8.589 1.433 1.477 1.00 0.53 H new ATOM 0 HD2 TYR A 36 -6.621 4.954 2.849 1.00 0.57 H new ATOM 0 HE1 TYR A 36 -10.487 2.793 0.711 1.00 0.64 H new ATOM 0 HE2 TYR A 36 -8.513 6.313 2.084 1.00 0.67 H new ATOM 0 HH TYR A 36 -10.502 6.346 1.080 1.00 0.76 H new ATOM 591 N ILE A 37 -5.701 -1.172 3.849 1.00 0.24 N ATOM 592 CA ILE A 37 -4.609 -2.088 4.170 1.00 0.26 C ATOM 593 C ILE A 37 -3.770 -2.395 2.944 1.00 0.33 C ATOM 594 O ILE A 37 -4.272 -2.911 1.951 1.00 0.70 O ATOM 595 CB ILE A 37 -5.099 -3.424 4.778 1.00 0.36 C ATOM 596 CG1 ILE A 37 -6.506 -3.296 5.380 1.00 0.41 C ATOM 597 CG2 ILE A 37 -4.113 -3.898 5.837 1.00 0.46 C ATOM 598 CD1 ILE A 37 -6.948 -4.523 6.148 1.00 1.14 C ATOM 0 H ILE A 37 -6.604 -1.623 3.702 1.00 0.24 H new ATOM 0 HA ILE A 37 -4.007 -1.571 4.918 1.00 0.26 H new ATOM 0 HB ILE A 37 -5.155 -4.159 3.975 1.00 0.36 H new ATOM 0 HG12 ILE A 37 -6.531 -2.433 6.045 1.00 0.41 H new ATOM 0 HG13 ILE A 37 -7.219 -3.102 4.579 1.00 0.41 H new ATOM 0 HG21 ILE A 37 -4.461 -4.839 6.263 1.00 0.46 H new ATOM 0 HG22 ILE A 37 -3.134 -4.046 5.382 1.00 0.46 H new ATOM 0 HG23 ILE A 37 -4.037 -3.149 6.625 1.00 0.46 H new ATOM 0 HD11 ILE A 37 -7.950 -4.362 6.545 1.00 1.14 H new ATOM 0 HD12 ILE A 37 -6.956 -5.386 5.482 1.00 1.14 H new ATOM 0 HD13 ILE A 37 -6.257 -4.706 6.971 1.00 1.14 H new ATOM 610 N VAL A 38 -2.485 -2.080 3.024 1.00 0.36 N ATOM 611 CA VAL A 38 -1.573 -2.324 1.919 1.00 0.42 C ATOM 612 C VAL A 38 -0.564 -3.416 2.282 1.00 0.35 C ATOM 613 O VAL A 38 0.074 -3.359 3.334 1.00 0.48 O ATOM 614 CB VAL A 38 -0.851 -1.013 1.508 1.00 0.63 C ATOM 615 CG1 VAL A 38 -0.434 -0.235 2.744 1.00 0.46 C ATOM 616 CG2 VAL A 38 0.346 -1.256 0.591 1.00 0.51 C ATOM 0 H VAL A 38 -2.052 -1.655 3.844 1.00 0.36 H new ATOM 0 HA VAL A 38 -2.153 -2.673 1.064 1.00 0.42 H new ATOM 0 HB VAL A 38 -1.564 -0.422 0.933 1.00 0.63 H new ATOM 0 HG11 VAL A 38 0.071 0.683 2.443 1.00 0.46 H new ATOM 0 HG12 VAL A 38 -1.317 0.014 3.333 1.00 0.46 H new ATOM 0 HG13 VAL A 38 0.243 -0.842 3.345 1.00 0.46 H new ATOM 0 HG21 VAL A 38 0.810 -0.303 0.338 1.00 0.51 H new ATOM 0 HG22 VAL A 38 1.072 -1.889 1.101 1.00 0.51 H new ATOM 0 HG23 VAL A 38 0.011 -1.750 -0.321 1.00 0.51 H new ATOM 626 N GLU A 39 -0.432 -4.414 1.406 1.00 0.30 N ATOM 627 CA GLU A 39 0.493 -5.522 1.639 1.00 0.33 C ATOM 628 C GLU A 39 1.867 -5.224 1.053 1.00 0.32 C ATOM 629 O GLU A 39 1.980 -4.727 -0.065 1.00 0.43 O ATOM 630 CB GLU A 39 -0.066 -6.813 1.039 1.00 0.42 C ATOM 631 CG GLU A 39 -1.428 -7.197 1.595 1.00 0.51 C ATOM 632 CD GLU A 39 -1.575 -8.690 1.807 1.00 0.92 C ATOM 633 OE1 GLU A 39 -0.848 -9.243 2.659 1.00 1.67 O ATOM 634 OE2 GLU A 39 -2.419 -9.308 1.124 1.00 1.52 O ATOM 0 H GLU A 39 -0.953 -4.477 0.531 1.00 0.30 H new ATOM 0 HA GLU A 39 0.604 -5.648 2.716 1.00 0.33 H new ATOM 0 HB2 GLU A 39 -0.142 -6.699 -0.042 1.00 0.42 H new ATOM 0 HB3 GLU A 39 0.636 -7.625 1.225 1.00 0.42 H new ATOM 0 HG2 GLU A 39 -1.587 -6.683 2.543 1.00 0.51 H new ATOM 0 HG3 GLU A 39 -2.205 -6.853 0.912 1.00 0.51 H new ATOM 641 N LYS A 40 2.908 -5.534 1.821 1.00 0.28 N ATOM 642 CA LYS A 40 4.282 -5.304 1.388 1.00 0.31 C ATOM 643 C LYS A 40 4.894 -6.588 0.844 1.00 0.29 C ATOM 644 O LYS A 40 4.537 -7.681 1.275 1.00 0.35 O ATOM 645 CB LYS A 40 5.130 -4.789 2.555 1.00 0.43 C ATOM 646 CG LYS A 40 4.954 -5.597 3.832 1.00 0.92 C ATOM 647 CD LYS A 40 6.139 -5.427 4.769 1.00 1.14 C ATOM 648 CE LYS A 40 6.531 -6.747 5.417 1.00 1.65 C ATOM 649 NZ LYS A 40 7.043 -6.557 6.802 1.00 1.97 N ATOM 0 H LYS A 40 2.825 -5.947 2.750 1.00 0.28 H new ATOM 0 HA LYS A 40 4.267 -4.554 0.597 1.00 0.31 H new ATOM 0 HB2 LYS A 40 6.181 -4.805 2.266 1.00 0.43 H new ATOM 0 HB3 LYS A 40 4.869 -3.749 2.753 1.00 0.43 H new ATOM 0 HG2 LYS A 40 4.041 -5.284 4.338 1.00 0.92 H new ATOM 0 HG3 LYS A 40 4.835 -6.651 3.583 1.00 0.92 H new ATOM 0 HD2 LYS A 40 6.988 -5.026 4.215 1.00 1.14 H new ATOM 0 HD3 LYS A 40 5.891 -4.700 5.543 1.00 1.14 H new ATOM 0 HE2 LYS A 40 5.667 -7.412 5.438 1.00 1.65 H new ATOM 0 HE3 LYS A 40 7.295 -7.235 4.812 1.00 1.65 H new ATOM 0 HZ1 LYS A 40 7.299 -7.480 7.207 1.00 1.97 H new ATOM 0 HZ2 LYS A 40 7.883 -5.944 6.781 1.00 1.97 H new ATOM 0 HZ3 LYS A 40 6.306 -6.114 7.387 1.00 1.97 H new ATOM 663 N ARG A 41 5.818 -6.448 -0.097 1.00 0.36 N ATOM 664 CA ARG A 41 6.477 -7.604 -0.688 1.00 0.40 C ATOM 665 C ARG A 41 7.981 -7.383 -0.781 1.00 0.41 C ATOM 666 O ARG A 41 8.453 -6.578 -1.588 1.00 0.43 O ATOM 667 CB ARG A 41 5.909 -7.904 -2.076 1.00 0.46 C ATOM 668 CG ARG A 41 6.462 -9.182 -2.686 1.00 0.58 C ATOM 669 CD ARG A 41 5.386 -9.967 -3.420 1.00 0.88 C ATOM 670 NE ARG A 41 5.222 -9.516 -4.798 1.00 0.95 N ATOM 671 CZ ARG A 41 4.646 -10.247 -5.747 1.00 1.13 C ATOM 672 NH1 ARG A 41 4.183 -11.457 -5.468 1.00 1.44 N ATOM 673 NH2 ARG A 41 4.533 -9.766 -6.978 1.00 1.44 N ATOM 0 H ARG A 41 6.127 -5.549 -0.466 1.00 0.36 H new ATOM 0 HA ARG A 41 6.289 -8.460 -0.040 1.00 0.40 H new ATOM 0 HB2 ARG A 41 4.824 -7.981 -2.008 1.00 0.46 H new ATOM 0 HB3 ARG A 41 6.128 -7.068 -2.740 1.00 0.46 H new ATOM 0 HG2 ARG A 41 7.268 -8.936 -3.377 1.00 0.58 H new ATOM 0 HG3 ARG A 41 6.894 -9.803 -1.901 1.00 0.58 H new ATOM 0 HD2 ARG A 41 5.643 -11.026 -3.414 1.00 0.88 H new ATOM 0 HD3 ARG A 41 4.439 -9.865 -2.890 1.00 0.88 H new ATOM 0 HE ARG A 41 5.568 -8.589 -5.047 1.00 0.95 H new ATOM 0 HH11 ARG A 41 4.268 -11.830 -4.523 1.00 1.44 H new ATOM 0 HH12 ARG A 41 3.742 -12.015 -6.199 1.00 1.44 H new ATOM 0 HH21 ARG A 41 4.888 -8.835 -7.196 1.00 1.44 H new ATOM 0 HH22 ARG A 41 4.091 -10.327 -7.706 1.00 1.44 H new ATOM 687 N ASP A 42 8.725 -8.105 0.053 1.00 0.50 N ATOM 688 CA ASP A 42 10.179 -8.002 0.076 1.00 0.57 C ATOM 689 C ASP A 42 10.790 -8.786 -1.077 1.00 0.62 C ATOM 690 O ASP A 42 10.902 -10.010 -1.018 1.00 0.91 O ATOM 691 CB ASP A 42 10.725 -8.527 1.404 1.00 0.71 C ATOM 692 CG ASP A 42 9.691 -9.317 2.183 1.00 0.93 C ATOM 693 OD1 ASP A 42 8.500 -8.943 2.136 1.00 1.59 O ATOM 694 OD2 ASP A 42 10.073 -10.306 2.842 1.00 1.49 O ATOM 0 H ASP A 42 8.341 -8.770 0.724 1.00 0.50 H new ATOM 0 HA ASP A 42 10.449 -6.952 -0.032 1.00 0.57 H new ATOM 0 HB2 ASP A 42 11.592 -9.159 1.213 1.00 0.71 H new ATOM 0 HB3 ASP A 42 11.069 -7.688 2.009 1.00 0.71 H new ATOM 699 N LEU A 43 11.179 -8.075 -2.125 1.00 0.63 N ATOM 700 CA LEU A 43 11.774 -8.709 -3.296 1.00 0.68 C ATOM 701 C LEU A 43 13.290 -8.841 -3.139 1.00 0.81 C ATOM 702 O LEU A 43 13.914 -8.061 -2.419 1.00 0.90 O ATOM 703 CB LEU A 43 11.443 -7.910 -4.557 1.00 0.62 C ATOM 704 CG LEU A 43 10.019 -7.354 -4.608 1.00 0.64 C ATOM 705 CD1 LEU A 43 9.943 -6.161 -5.548 1.00 0.80 C ATOM 706 CD2 LEU A 43 9.039 -8.436 -5.032 1.00 0.70 C ATOM 0 H LEU A 43 11.094 -7.061 -2.190 1.00 0.63 H new ATOM 0 HA LEU A 43 11.353 -9.710 -3.389 1.00 0.68 H new ATOM 0 HB2 LEU A 43 12.145 -7.080 -4.639 1.00 0.62 H new ATOM 0 HB3 LEU A 43 11.600 -8.548 -5.426 1.00 0.62 H new ATOM 0 HG LEU A 43 9.745 -7.017 -3.608 1.00 0.64 H new ATOM 0 HD11 LEU A 43 8.922 -5.780 -5.570 1.00 0.80 H new ATOM 0 HD12 LEU A 43 10.615 -5.378 -5.197 1.00 0.80 H new ATOM 0 HD13 LEU A 43 10.237 -6.469 -6.551 1.00 0.80 H new ATOM 0 HD21 LEU A 43 8.031 -8.022 -5.063 1.00 0.70 H new ATOM 0 HD22 LEU A 43 9.310 -8.805 -6.021 1.00 0.70 H new ATOM 0 HD23 LEU A 43 9.072 -9.258 -4.317 1.00 0.70 H new ATOM 718 N PRO A 44 13.908 -9.836 -3.808 1.00 0.92 N ATOM 719 CA PRO A 44 13.214 -10.787 -4.673 1.00 0.99 C ATOM 720 C PRO A 44 12.748 -12.034 -3.925 1.00 1.15 C ATOM 721 O PRO A 44 12.441 -13.056 -4.539 1.00 1.43 O ATOM 722 CB PRO A 44 14.295 -11.144 -5.686 1.00 1.15 C ATOM 723 CG PRO A 44 15.573 -11.078 -4.912 1.00 1.25 C ATOM 724 CD PRO A 44 15.354 -10.107 -3.772 1.00 1.08 C ATOM 0 HA PRO A 44 12.303 -10.373 -5.105 1.00 0.99 H new ATOM 0 HB2 PRO A 44 14.135 -12.138 -6.103 1.00 1.15 H new ATOM 0 HB3 PRO A 44 14.301 -10.445 -6.522 1.00 1.15 H new ATOM 0 HG2 PRO A 44 15.844 -12.063 -4.532 1.00 1.25 H new ATOM 0 HG3 PRO A 44 16.392 -10.745 -5.549 1.00 1.25 H new ATOM 0 HD2 PRO A 44 15.656 -10.538 -2.817 1.00 1.08 H new ATOM 0 HD3 PRO A 44 15.935 -9.195 -3.908 1.00 1.08 H new ATOM 732 N ASN A 45 12.698 -11.948 -2.599 1.00 1.14 N ATOM 733 CA ASN A 45 12.271 -13.077 -1.778 1.00 1.33 C ATOM 734 C ASN A 45 11.356 -12.621 -0.647 1.00 1.43 C ATOM 735 O ASN A 45 11.793 -12.454 0.493 1.00 2.42 O ATOM 736 CB ASN A 45 13.488 -13.804 -1.203 1.00 1.66 C ATOM 737 CG ASN A 45 14.081 -14.799 -2.182 1.00 1.93 C ATOM 738 OD1 ASN A 45 13.674 -15.960 -2.228 1.00 2.66 O ATOM 739 ND2 ASN A 45 15.049 -14.347 -2.970 1.00 1.89 N ATOM 0 H ASN A 45 12.947 -11.111 -2.071 1.00 1.14 H new ATOM 0 HA ASN A 45 11.711 -13.762 -2.415 1.00 1.33 H new ATOM 0 HB2 ASN A 45 14.248 -13.073 -0.927 1.00 1.66 H new ATOM 0 HB3 ASN A 45 13.199 -14.324 -0.290 1.00 1.66 H new ATOM 0 HD21 ASN A 45 15.487 -14.970 -3.648 1.00 1.89 H new ATOM 0 HD22 ASN A 45 15.355 -13.377 -2.897 1.00 1.89 H new ATOM 746 N GLY A 46 10.083 -12.423 -0.972 1.00 0.90 N ATOM 747 CA GLY A 46 9.119 -11.991 0.022 1.00 1.12 C ATOM 748 C GLY A 46 7.693 -12.308 -0.385 1.00 0.76 C ATOM 749 O GLY A 46 7.466 -13.066 -1.328 1.00 0.96 O ATOM 0 H GLY A 46 9.701 -12.554 -1.909 1.00 0.90 H new ATOM 0 HA2 GLY A 46 9.339 -12.475 0.973 1.00 1.12 H new ATOM 0 HA3 GLY A 46 9.219 -10.917 0.180 1.00 1.12 H new ATOM 753 N ARG A 47 6.733 -11.726 0.325 1.00 0.80 N ATOM 754 CA ARG A 47 5.322 -11.952 0.027 1.00 0.76 C ATOM 755 C ARG A 47 4.466 -10.805 0.545 1.00 0.85 C ATOM 756 O ARG A 47 4.876 -10.059 1.433 1.00 1.71 O ATOM 757 CB ARG A 47 4.830 -13.271 0.630 1.00 0.99 C ATOM 758 CG ARG A 47 5.646 -13.761 1.816 1.00 1.31 C ATOM 759 CD ARG A 47 5.575 -12.797 2.990 1.00 1.11 C ATOM 760 NE ARG A 47 6.830 -12.751 3.737 1.00 1.41 N ATOM 761 CZ ARG A 47 6.996 -12.052 4.857 1.00 1.71 C ATOM 762 NH1 ARG A 47 5.991 -11.345 5.356 1.00 2.41 N ATOM 763 NH2 ARG A 47 8.169 -12.060 5.478 1.00 2.03 N ATOM 0 H ARG A 47 6.904 -11.096 1.109 1.00 0.80 H new ATOM 0 HA ARG A 47 5.226 -12.006 -1.057 1.00 0.76 H new ATOM 0 HB2 ARG A 47 3.793 -13.149 0.943 1.00 0.99 H new ATOM 0 HB3 ARG A 47 4.841 -14.037 -0.145 1.00 0.99 H new ATOM 0 HG2 ARG A 47 5.282 -14.740 2.128 1.00 1.31 H new ATOM 0 HG3 ARG A 47 6.685 -13.889 1.514 1.00 1.31 H new ATOM 0 HD2 ARG A 47 5.333 -11.799 2.625 1.00 1.11 H new ATOM 0 HD3 ARG A 47 4.767 -13.097 3.657 1.00 1.11 H new ATOM 0 HE ARG A 47 7.623 -13.284 3.380 1.00 1.41 H new ATOM 0 HH11 ARG A 47 5.088 -11.336 4.881 1.00 2.41 H new ATOM 0 HH12 ARG A 47 6.121 -10.810 6.215 1.00 2.41 H new ATOM 0 HH21 ARG A 47 8.944 -12.602 5.097 1.00 2.03 H new ATOM 0 HH22 ARG A 47 8.295 -11.524 6.336 1.00 2.03 H new ATOM 777 N TRP A 48 3.274 -10.674 -0.020 1.00 0.50 N ATOM 778 CA TRP A 48 2.352 -9.628 0.367 1.00 0.43 C ATOM 779 C TRP A 48 1.890 -9.807 1.810 1.00 0.45 C ATOM 780 O TRP A 48 1.331 -10.843 2.167 1.00 0.65 O ATOM 781 CB TRP A 48 1.148 -9.615 -0.569 1.00 0.47 C ATOM 782 CG TRP A 48 1.538 -9.571 -2.012 1.00 0.45 C ATOM 783 CD1 TRP A 48 1.407 -10.574 -2.925 1.00 0.52 C ATOM 784 CD2 TRP A 48 2.128 -8.467 -2.706 1.00 0.39 C ATOM 785 NE1 TRP A 48 1.879 -10.160 -4.146 1.00 0.50 N ATOM 786 CE2 TRP A 48 2.326 -8.870 -4.038 1.00 0.42 C ATOM 787 CE3 TRP A 48 2.506 -7.177 -2.330 1.00 0.36 C ATOM 788 CZ2 TRP A 48 2.886 -8.029 -4.996 1.00 0.41 C ATOM 789 CZ3 TRP A 48 3.061 -6.341 -3.279 1.00 0.36 C ATOM 790 CH2 TRP A 48 3.246 -6.770 -4.599 1.00 0.38 C ATOM 0 H TRP A 48 2.925 -11.289 -0.755 1.00 0.50 H new ATOM 0 HA TRP A 48 2.874 -8.674 0.293 1.00 0.43 H new ATOM 0 HB2 TRP A 48 0.543 -10.503 -0.388 1.00 0.47 H new ATOM 0 HB3 TRP A 48 0.524 -8.751 -0.339 1.00 0.47 H new ATOM 0 HD1 TRP A 48 0.993 -11.550 -2.719 1.00 0.52 H new ATOM 0 HE1 TRP A 48 1.894 -10.723 -4.997 1.00 0.50 H new ATOM 0 HE3 TRP A 48 2.367 -6.838 -1.314 1.00 0.36 H new ATOM 0 HZ2 TRP A 48 3.031 -8.358 -6.014 1.00 0.41 H new ATOM 0 HZ3 TRP A 48 3.357 -5.341 -2.999 1.00 0.36 H new ATOM 0 HH2 TRP A 48 3.682 -6.093 -5.319 1.00 0.38 H new ATOM 801 N LEU A 49 2.126 -8.793 2.631 1.00 0.38 N ATOM 802 CA LEU A 49 1.735 -8.841 4.034 1.00 0.42 C ATOM 803 C LEU A 49 1.435 -7.439 4.557 1.00 0.36 C ATOM 804 O LEU A 49 2.127 -6.481 4.218 1.00 0.39 O ATOM 805 CB LEU A 49 2.843 -9.486 4.869 1.00 0.52 C ATOM 806 CG LEU A 49 2.483 -10.835 5.499 1.00 0.67 C ATOM 807 CD1 LEU A 49 1.221 -10.718 6.342 1.00 1.28 C ATOM 808 CD2 LEU A 49 2.312 -11.895 4.422 1.00 0.84 C ATOM 0 H LEU A 49 2.586 -7.927 2.350 1.00 0.38 H new ATOM 0 HA LEU A 49 0.830 -9.443 4.118 1.00 0.42 H new ATOM 0 HB2 LEU A 49 3.721 -9.621 4.237 1.00 0.52 H new ATOM 0 HB3 LEU A 49 3.126 -8.796 5.664 1.00 0.52 H new ATOM 0 HG LEU A 49 3.301 -11.137 6.154 1.00 0.67 H new ATOM 0 HD11 LEU A 49 0.984 -11.688 6.779 1.00 1.28 H new ATOM 0 HD12 LEU A 49 1.381 -9.990 7.138 1.00 1.28 H new ATOM 0 HD13 LEU A 49 0.392 -10.392 5.713 1.00 1.28 H new ATOM 0 HD21 LEU A 49 2.056 -12.847 4.886 1.00 0.84 H new ATOM 0 HD22 LEU A 49 1.514 -11.597 3.742 1.00 0.84 H new ATOM 0 HD23 LEU A 49 3.243 -12.001 3.865 1.00 0.84 H new ATOM 820 N LYS A 50 0.398 -7.326 5.385 1.00 0.40 N ATOM 821 CA LYS A 50 0.002 -6.039 5.957 1.00 0.40 C ATOM 822 C LYS A 50 1.219 -5.253 6.446 1.00 0.47 C ATOM 823 O LYS A 50 1.666 -5.427 7.581 1.00 0.85 O ATOM 824 CB LYS A 50 -0.973 -6.248 7.115 1.00 0.59 C ATOM 825 CG LYS A 50 -2.226 -7.020 6.732 1.00 0.72 C ATOM 826 CD LYS A 50 -3.054 -7.377 7.956 1.00 1.03 C ATOM 827 CE LYS A 50 -3.465 -6.135 8.730 1.00 0.86 C ATOM 828 NZ LYS A 50 -4.432 -6.448 9.819 1.00 1.30 N ATOM 0 H LYS A 50 -0.185 -8.111 5.676 1.00 0.40 H new ATOM 0 HA LYS A 50 -0.488 -5.464 5.171 1.00 0.40 H new ATOM 0 HB2 LYS A 50 -0.461 -6.780 7.917 1.00 0.59 H new ATOM 0 HB3 LYS A 50 -1.264 -5.276 7.512 1.00 0.59 H new ATOM 0 HG2 LYS A 50 -2.827 -6.423 6.046 1.00 0.72 H new ATOM 0 HG3 LYS A 50 -1.946 -7.930 6.202 1.00 0.72 H new ATOM 0 HD2 LYS A 50 -3.944 -7.926 7.648 1.00 1.03 H new ATOM 0 HD3 LYS A 50 -2.480 -8.038 8.605 1.00 1.03 H new ATOM 0 HE2 LYS A 50 -2.579 -5.665 9.157 1.00 0.86 H new ATOM 0 HE3 LYS A 50 -3.911 -5.413 8.046 1.00 0.86 H new ATOM 0 HZ1 LYS A 50 -4.685 -5.573 10.321 1.00 1.30 H new ATOM 0 HZ2 LYS A 50 -5.289 -6.873 9.411 1.00 1.30 H new ATOM 0 HZ3 LYS A 50 -3.998 -7.117 10.487 1.00 1.30 H new ATOM 842 N ALA A 51 1.747 -4.391 5.584 1.00 0.45 N ATOM 843 CA ALA A 51 2.907 -3.578 5.929 1.00 0.63 C ATOM 844 C ALA A 51 2.537 -2.509 6.946 1.00 0.55 C ATOM 845 O ALA A 51 3.291 -2.235 7.880 1.00 0.72 O ATOM 846 CB ALA A 51 3.488 -2.934 4.680 1.00 0.86 C ATOM 0 H ALA A 51 1.390 -4.237 4.641 1.00 0.45 H new ATOM 0 HA ALA A 51 3.659 -4.229 6.375 1.00 0.63 H new ATOM 0 HB1 ALA A 51 4.354 -2.330 4.951 1.00 0.86 H new ATOM 0 HB2 ALA A 51 3.793 -3.711 3.979 1.00 0.86 H new ATOM 0 HB3 ALA A 51 2.734 -2.300 4.214 1.00 0.86 H new ATOM 852 N ASN A 52 1.371 -1.906 6.753 1.00 0.42 N ATOM 853 CA ASN A 52 0.893 -0.861 7.649 1.00 0.43 C ATOM 854 C ASN A 52 0.541 -1.426 9.020 1.00 0.59 C ATOM 855 O ASN A 52 0.889 -0.842 10.047 1.00 1.60 O ATOM 856 CB ASN A 52 -0.323 -0.155 7.045 1.00 0.38 C ATOM 857 CG ASN A 52 -1.378 -1.128 6.556 1.00 0.96 C ATOM 858 OD1 ASN A 52 -1.108 -1.979 5.709 1.00 2.01 O ATOM 859 ND2 ASN A 52 -2.589 -1.004 7.087 1.00 0.62 N ATOM 0 H ASN A 52 0.738 -2.123 5.983 1.00 0.42 H new ATOM 0 HA ASN A 52 1.698 -0.138 7.776 1.00 0.43 H new ATOM 0 HB2 ASN A 52 -0.762 0.507 7.791 1.00 0.38 H new ATOM 0 HB3 ASN A 52 0.001 0.472 6.214 1.00 0.38 H new ATOM 0 HD21 ASN A 52 -3.340 -1.629 6.795 1.00 0.62 H new ATOM 0 HD22 ASN A 52 -2.768 -0.284 7.787 1.00 0.62 H new ATOM 866 N PHE A 53 -0.152 -2.560 9.037 1.00 0.81 N ATOM 867 CA PHE A 53 -0.545 -3.185 10.294 1.00 0.82 C ATOM 868 C PHE A 53 -1.320 -2.201 11.167 1.00 0.84 C ATOM 869 O PHE A 53 -1.384 -2.356 12.386 1.00 1.20 O ATOM 870 CB PHE A 53 0.697 -3.686 11.044 1.00 0.96 C ATOM 871 CG PHE A 53 0.419 -4.773 12.049 1.00 1.15 C ATOM 872 CD1 PHE A 53 -0.879 -5.173 12.333 1.00 1.32 C ATOM 873 CD2 PHE A 53 1.463 -5.398 12.712 1.00 1.68 C ATOM 874 CE1 PHE A 53 -1.130 -6.168 13.252 1.00 1.66 C ATOM 875 CE2 PHE A 53 1.217 -6.396 13.637 1.00 2.08 C ATOM 876 CZ PHE A 53 -0.080 -6.782 13.907 1.00 1.96 C ATOM 0 H PHE A 53 -0.451 -3.062 8.201 1.00 0.81 H new ATOM 0 HA PHE A 53 -1.193 -4.032 10.069 1.00 0.82 H new ATOM 0 HB2 PHE A 53 1.421 -4.056 10.318 1.00 0.96 H new ATOM 0 HB3 PHE A 53 1.162 -2.844 11.557 1.00 0.96 H new ATOM 0 HD1 PHE A 53 -1.705 -4.697 11.826 1.00 1.32 H new ATOM 0 HD2 PHE A 53 2.481 -5.102 12.504 1.00 1.68 H new ATOM 0 HE1 PHE A 53 -2.146 -6.468 13.460 1.00 1.66 H new ATOM 0 HE2 PHE A 53 2.040 -6.873 14.148 1.00 2.08 H new ATOM 0 HZ PHE A 53 -0.274 -7.562 14.628 1.00 1.96 H new ATOM 886 N SER A 54 -1.906 -1.187 10.533 1.00 0.79 N ATOM 887 CA SER A 54 -2.675 -0.176 11.251 1.00 0.89 C ATOM 888 C SER A 54 -3.974 0.141 10.512 1.00 0.95 C ATOM 889 O SER A 54 -4.467 -0.672 9.731 1.00 1.89 O ATOM 890 CB SER A 54 -1.839 1.094 11.423 1.00 1.00 C ATOM 891 OG SER A 54 -2.002 1.966 10.318 1.00 1.71 O ATOM 0 H SER A 54 -1.862 -1.045 9.524 1.00 0.79 H new ATOM 0 HA SER A 54 -2.929 -0.569 12.235 1.00 0.89 H new ATOM 0 HB2 SER A 54 -2.133 1.605 12.340 1.00 1.00 H new ATOM 0 HB3 SER A 54 -0.787 0.829 11.529 1.00 1.00 H new ATOM 0 HG SER A 54 -1.459 2.770 10.453 1.00 1.71 H new ATOM 897 N ASN A 55 -4.528 1.326 10.763 1.00 0.75 N ATOM 898 CA ASN A 55 -5.771 1.737 10.120 1.00 0.69 C ATOM 899 C ASN A 55 -5.533 2.888 9.145 1.00 0.66 C ATOM 900 O ASN A 55 -5.640 4.058 9.514 1.00 1.05 O ATOM 901 CB ASN A 55 -6.798 2.147 11.181 1.00 0.84 C ATOM 902 CG ASN A 55 -8.045 2.790 10.595 1.00 1.11 C ATOM 903 OD1 ASN A 55 -8.680 3.628 11.235 1.00 1.87 O ATOM 904 ND2 ASN A 55 -8.405 2.402 9.375 1.00 0.83 N ATOM 0 H ASN A 55 -4.136 2.015 11.405 1.00 0.75 H new ATOM 0 HA ASN A 55 -6.158 0.890 9.553 1.00 0.69 H new ATOM 0 HB2 ASN A 55 -7.087 1.267 11.756 1.00 0.84 H new ATOM 0 HB3 ASN A 55 -6.332 2.844 11.878 1.00 0.84 H new ATOM 0 HD21 ASN A 55 -9.235 2.802 8.937 1.00 0.83 H new ATOM 0 HD22 ASN A 55 -7.851 1.704 8.878 1.00 0.83 H new ATOM 911 N ILE A 56 -5.217 2.551 7.898 1.00 0.40 N ATOM 912 CA ILE A 56 -4.976 3.564 6.876 1.00 0.33 C ATOM 913 C ILE A 56 -6.275 4.265 6.494 1.00 0.31 C ATOM 914 O ILE A 56 -6.728 4.173 5.353 1.00 0.53 O ATOM 915 CB ILE A 56 -4.357 2.969 5.597 1.00 0.32 C ATOM 916 CG1 ILE A 56 -3.238 1.987 5.928 1.00 0.43 C ATOM 917 CG2 ILE A 56 -3.830 4.083 4.704 1.00 0.28 C ATOM 918 CD1 ILE A 56 -2.160 2.579 6.785 1.00 0.69 C ATOM 0 H ILE A 56 -5.122 1.589 7.572 1.00 0.40 H new ATOM 0 HA ILE A 56 -4.272 4.274 7.311 1.00 0.33 H new ATOM 0 HB ILE A 56 -5.137 2.423 5.067 1.00 0.32 H new ATOM 0 HG12 ILE A 56 -3.663 1.122 6.437 1.00 0.43 H new ATOM 0 HG13 ILE A 56 -2.796 1.625 5.000 1.00 0.43 H new ATOM 0 HG21 ILE A 56 -3.395 3.652 3.803 1.00 0.28 H new ATOM 0 HG22 ILE A 56 -4.649 4.747 4.429 1.00 0.28 H new ATOM 0 HG23 ILE A 56 -3.068 4.649 5.240 1.00 0.28 H new ATOM 0 HD11 ILE A 56 -1.397 1.826 6.982 1.00 0.69 H new ATOM 0 HD12 ILE A 56 -1.709 3.426 6.269 1.00 0.69 H new ATOM 0 HD13 ILE A 56 -2.589 2.916 7.729 1.00 0.69 H new ATOM 930 N LEU A 57 -6.874 4.965 7.453 1.00 0.44 N ATOM 931 CA LEU A 57 -8.126 5.680 7.208 1.00 0.45 C ATOM 932 C LEU A 57 -8.040 6.499 5.926 1.00 0.42 C ATOM 933 O LEU A 57 -8.842 6.322 5.009 1.00 0.60 O ATOM 934 CB LEU A 57 -8.457 6.586 8.392 1.00 0.48 C ATOM 935 CG LEU A 57 -9.589 6.085 9.290 1.00 0.85 C ATOM 936 CD1 LEU A 57 -9.780 7.020 10.473 1.00 1.60 C ATOM 937 CD2 LEU A 57 -10.880 5.949 8.497 1.00 0.72 C ATOM 0 H LEU A 57 -6.516 5.053 8.404 1.00 0.44 H new ATOM 0 HA LEU A 57 -8.923 4.945 7.092 1.00 0.45 H new ATOM 0 HB2 LEU A 57 -7.560 6.709 8.998 1.00 0.48 H new ATOM 0 HB3 LEU A 57 -8.723 7.572 8.013 1.00 0.48 H new ATOM 0 HG LEU A 57 -9.319 5.100 9.671 1.00 0.85 H new ATOM 0 HD11 LEU A 57 -10.589 6.650 11.103 1.00 1.60 H new ATOM 0 HD12 LEU A 57 -8.859 7.064 11.054 1.00 1.60 H new ATOM 0 HD13 LEU A 57 -10.029 8.018 10.112 1.00 1.60 H new ATOM 0 HD21 LEU A 57 -11.674 5.591 9.153 1.00 0.72 H new ATOM 0 HD22 LEU A 57 -11.158 6.919 8.086 1.00 0.72 H new ATOM 0 HD23 LEU A 57 -10.734 5.239 7.683 1.00 0.72 H new ATOM 949 N GLU A 58 -7.052 7.384 5.862 1.00 0.39 N ATOM 950 CA GLU A 58 -6.853 8.215 4.687 1.00 0.43 C ATOM 951 C GLU A 58 -5.982 7.474 3.686 1.00 0.51 C ATOM 952 O GLU A 58 -5.273 6.534 4.046 1.00 1.09 O ATOM 953 CB GLU A 58 -6.204 9.545 5.068 1.00 0.44 C ATOM 954 CG GLU A 58 -4.895 9.389 5.823 1.00 0.44 C ATOM 955 CD GLU A 58 -5.062 9.548 7.321 1.00 0.75 C ATOM 956 OE1 GLU A 58 -5.823 10.445 7.742 1.00 1.29 O ATOM 957 OE2 GLU A 58 -4.432 8.775 8.074 1.00 1.54 O ATOM 0 H GLU A 58 -6.378 7.542 6.611 1.00 0.39 H new ATOM 0 HA GLU A 58 -7.823 8.428 4.237 1.00 0.43 H new ATOM 0 HB2 GLU A 58 -6.025 10.125 4.163 1.00 0.44 H new ATOM 0 HB3 GLU A 58 -6.901 10.118 5.680 1.00 0.44 H new ATOM 0 HG2 GLU A 58 -4.473 8.407 5.611 1.00 0.44 H new ATOM 0 HG3 GLU A 58 -4.181 10.128 5.461 1.00 0.44 H new ATOM 964 N ASN A 59 -6.042 7.888 2.432 1.00 0.31 N ATOM 965 CA ASN A 59 -5.256 7.241 1.394 1.00 0.28 C ATOM 966 C ASN A 59 -3.789 7.679 1.423 1.00 0.28 C ATOM 967 O ASN A 59 -2.990 7.236 0.597 1.00 0.49 O ATOM 968 CB ASN A 59 -5.862 7.506 0.019 1.00 0.32 C ATOM 969 CG ASN A 59 -5.771 8.963 -0.388 1.00 0.86 C ATOM 970 OD1 ASN A 59 -4.966 9.723 0.150 1.00 1.75 O ATOM 971 ND2 ASN A 59 -6.601 9.360 -1.346 1.00 0.91 N ATOM 0 H ASN A 59 -6.622 8.663 2.109 1.00 0.31 H new ATOM 0 HA ASN A 59 -5.280 6.170 1.593 1.00 0.28 H new ATOM 0 HB2 ASN A 59 -5.351 6.893 -0.723 1.00 0.32 H new ATOM 0 HB3 ASN A 59 -6.908 7.198 0.022 1.00 0.32 H new ATOM 0 HD21 ASN A 59 -6.587 10.329 -1.663 1.00 0.91 H new ATOM 0 HD22 ASN A 59 -7.252 8.696 -1.764 1.00 0.91 H new ATOM 978 N GLU A 60 -3.432 8.538 2.377 1.00 0.29 N ATOM 979 CA GLU A 60 -2.057 9.008 2.503 1.00 0.29 C ATOM 980 C GLU A 60 -1.355 8.261 3.629 1.00 0.27 C ATOM 981 O GLU A 60 -1.469 8.634 4.796 1.00 0.35 O ATOM 982 CB GLU A 60 -2.028 10.514 2.777 1.00 0.34 C ATOM 983 CG GLU A 60 -0.675 11.155 2.512 1.00 0.49 C ATOM 984 CD GLU A 60 -0.630 12.615 2.919 1.00 1.26 C ATOM 985 OE1 GLU A 60 -1.307 12.978 3.905 1.00 2.05 O ATOM 986 OE2 GLU A 60 0.081 13.396 2.253 1.00 1.91 O ATOM 0 H GLU A 60 -4.075 8.920 3.071 1.00 0.29 H new ATOM 0 HA GLU A 60 -1.536 8.815 1.565 1.00 0.29 H new ATOM 0 HB2 GLU A 60 -2.780 11.002 2.157 1.00 0.34 H new ATOM 0 HB3 GLU A 60 -2.308 10.691 3.816 1.00 0.34 H new ATOM 0 HG2 GLU A 60 0.095 10.607 3.055 1.00 0.49 H new ATOM 0 HG3 GLU A 60 -0.439 11.070 1.451 1.00 0.49 H new ATOM 993 N PHE A 61 -0.638 7.197 3.277 1.00 0.24 N ATOM 994 CA PHE A 61 0.065 6.399 4.273 1.00 0.24 C ATOM 995 C PHE A 61 1.518 6.146 3.878 1.00 0.24 C ATOM 996 O PHE A 61 1.899 6.282 2.717 1.00 0.25 O ATOM 997 CB PHE A 61 -0.637 5.045 4.475 1.00 0.28 C ATOM 998 CG PHE A 61 0.135 4.110 5.364 1.00 0.33 C ATOM 999 CD1 PHE A 61 0.155 4.297 6.736 1.00 0.41 C ATOM 1000 CD2 PHE A 61 0.855 3.054 4.823 1.00 0.37 C ATOM 1001 CE1 PHE A 61 0.873 3.447 7.554 1.00 0.48 C ATOM 1002 CE2 PHE A 61 1.573 2.203 5.636 1.00 0.44 C ATOM 1003 CZ PHE A 61 1.580 2.398 7.004 1.00 0.48 C ATOM 0 H PHE A 61 -0.530 6.871 2.317 1.00 0.24 H new ATOM 0 HA PHE A 61 0.050 6.969 5.202 1.00 0.24 H new ATOM 0 HB2 PHE A 61 -1.624 5.214 4.905 1.00 0.28 H new ATOM 0 HB3 PHE A 61 -0.789 4.572 3.505 1.00 0.28 H new ATOM 0 HD1 PHE A 61 -0.397 5.117 7.171 1.00 0.41 H new ATOM 0 HD2 PHE A 61 0.853 2.897 3.754 1.00 0.37 H new ATOM 0 HE1 PHE A 61 0.881 3.603 8.623 1.00 0.48 H new ATOM 0 HE2 PHE A 61 2.130 1.384 5.204 1.00 0.44 H new ATOM 0 HZ PHE A 61 2.139 1.729 7.642 1.00 0.48 H new ATOM 1013 N THR A 62 2.305 5.748 4.871 1.00 0.25 N ATOM 1014 CA THR A 62 3.708 5.428 4.683 1.00 0.27 C ATOM 1015 C THR A 62 3.988 4.070 5.304 1.00 0.29 C ATOM 1016 O THR A 62 3.739 3.865 6.490 1.00 0.35 O ATOM 1017 CB THR A 62 4.599 6.500 5.310 1.00 0.33 C ATOM 1018 OG1 THR A 62 4.317 7.773 4.757 1.00 0.42 O ATOM 1019 CG2 THR A 62 6.078 6.238 5.126 1.00 0.37 C ATOM 0 H THR A 62 1.982 5.639 5.832 1.00 0.25 H new ATOM 0 HA THR A 62 3.932 5.397 3.617 1.00 0.27 H new ATOM 0 HB THR A 62 4.373 6.472 6.376 1.00 0.33 H new ATOM 0 HG1 THR A 62 5.156 8.221 4.523 1.00 0.42 H new ATOM 0 HG21 THR A 62 6.650 7.038 5.596 1.00 0.37 H new ATOM 0 HG22 THR A 62 6.339 5.286 5.588 1.00 0.37 H new ATOM 0 HG23 THR A 62 6.311 6.201 4.062 1.00 0.37 H new ATOM 1027 N VAL A 63 4.490 3.136 4.504 1.00 0.31 N ATOM 1028 CA VAL A 63 4.770 1.802 5.003 1.00 0.36 C ATOM 1029 C VAL A 63 6.088 1.746 5.758 1.00 0.38 C ATOM 1030 O VAL A 63 7.166 1.836 5.168 1.00 0.50 O ATOM 1031 CB VAL A 63 4.778 0.770 3.866 1.00 0.44 C ATOM 1032 CG1 VAL A 63 3.426 0.727 3.169 1.00 0.58 C ATOM 1033 CG2 VAL A 63 5.871 1.089 2.874 1.00 1.08 C ATOM 0 H VAL A 63 4.708 3.279 3.518 1.00 0.31 H new ATOM 0 HA VAL A 63 3.967 1.554 5.697 1.00 0.36 H new ATOM 0 HB VAL A 63 4.973 -0.212 4.296 1.00 0.44 H new ATOM 0 HG11 VAL A 63 3.453 -0.011 2.367 1.00 0.58 H new ATOM 0 HG12 VAL A 63 2.654 0.452 3.888 1.00 0.58 H new ATOM 0 HG13 VAL A 63 3.200 1.708 2.752 1.00 0.58 H new ATOM 0 HG21 VAL A 63 5.864 0.349 2.074 1.00 1.08 H new ATOM 0 HG22 VAL A 63 5.702 2.080 2.453 1.00 1.08 H new ATOM 0 HG23 VAL A 63 6.837 1.069 3.378 1.00 1.08 H new ATOM 1043 N SER A 64 5.988 1.592 7.072 1.00 0.49 N ATOM 1044 CA SER A 64 7.161 1.516 7.927 1.00 0.55 C ATOM 1045 C SER A 64 7.491 0.065 8.249 1.00 0.63 C ATOM 1046 O SER A 64 6.604 -0.728 8.566 1.00 0.99 O ATOM 1047 CB SER A 64 6.923 2.300 9.219 1.00 0.63 C ATOM 1048 OG SER A 64 5.543 2.353 9.535 1.00 1.33 O ATOM 0 H SER A 64 5.101 1.517 7.569 1.00 0.49 H new ATOM 0 HA SER A 64 8.006 1.956 7.397 1.00 0.55 H new ATOM 0 HB2 SER A 64 7.469 1.832 10.038 1.00 0.63 H new ATOM 0 HB3 SER A 64 7.314 3.312 9.112 1.00 0.63 H new ATOM 0 HG SER A 64 5.417 2.858 10.366 1.00 1.33 H new ATOM 1054 N GLY A 65 8.767 -0.280 8.160 1.00 0.71 N ATOM 1055 CA GLY A 65 9.185 -1.639 8.442 1.00 0.78 C ATOM 1056 C GLY A 65 9.996 -2.248 7.313 1.00 0.72 C ATOM 1057 O GLY A 65 10.555 -3.335 7.465 1.00 0.90 O ATOM 0 H GLY A 65 9.520 0.356 7.898 1.00 0.71 H new ATOM 0 HA2 GLY A 65 9.778 -1.650 9.357 1.00 0.78 H new ATOM 0 HA3 GLY A 65 8.305 -2.255 8.625 1.00 0.78 H new ATOM 1061 N LEU A 66 10.066 -1.552 6.179 1.00 0.64 N ATOM 1062 CA LEU A 66 10.820 -2.043 5.034 1.00 0.65 C ATOM 1063 C LEU A 66 12.275 -2.275 5.424 1.00 0.59 C ATOM 1064 O LEU A 66 12.601 -2.370 6.606 1.00 0.65 O ATOM 1065 CB LEU A 66 10.732 -1.055 3.863 1.00 0.74 C ATOM 1066 CG LEU A 66 9.317 -0.579 3.531 1.00 0.89 C ATOM 1067 CD1 LEU A 66 9.340 0.456 2.414 1.00 0.89 C ATOM 1068 CD2 LEU A 66 8.444 -1.764 3.145 1.00 1.47 C ATOM 0 H LEU A 66 9.611 -0.651 6.032 1.00 0.64 H new ATOM 0 HA LEU A 66 10.386 -2.991 4.715 1.00 0.65 H new ATOM 0 HB2 LEU A 66 11.348 -0.186 4.092 1.00 0.74 H new ATOM 0 HB3 LEU A 66 11.160 -1.524 2.977 1.00 0.74 H new ATOM 0 HG LEU A 66 8.895 -0.106 4.418 1.00 0.89 H new ATOM 0 HD11 LEU A 66 8.322 0.779 2.196 1.00 0.89 H new ATOM 0 HD12 LEU A 66 9.934 1.315 2.726 1.00 0.89 H new ATOM 0 HD13 LEU A 66 9.780 0.016 1.519 1.00 0.89 H new ATOM 0 HD21 LEU A 66 7.439 -1.414 2.911 1.00 1.47 H new ATOM 0 HD22 LEU A 66 8.869 -2.260 2.272 1.00 1.47 H new ATOM 0 HD23 LEU A 66 8.399 -2.468 3.976 1.00 1.47 H new ATOM 1080 N THR A 67 13.144 -2.368 4.430 1.00 0.65 N ATOM 1081 CA THR A 67 14.560 -2.595 4.686 1.00 0.69 C ATOM 1082 C THR A 67 15.427 -1.923 3.627 1.00 0.72 C ATOM 1083 O THR A 67 14.955 -1.599 2.537 1.00 1.06 O ATOM 1084 CB THR A 67 14.853 -4.094 4.726 1.00 0.75 C ATOM 1085 OG1 THR A 67 13.826 -4.785 5.415 1.00 0.96 O ATOM 1086 CG2 THR A 67 16.166 -4.431 5.400 1.00 0.99 C ATOM 0 H THR A 67 12.897 -2.291 3.443 1.00 0.65 H new ATOM 0 HA THR A 67 14.802 -2.154 5.653 1.00 0.69 H new ATOM 0 HB THR A 67 14.910 -4.406 3.683 1.00 0.75 H new ATOM 0 HG1 THR A 67 13.354 -5.376 4.792 1.00 0.96 H new ATOM 0 HG21 THR A 67 16.311 -5.511 5.394 1.00 0.99 H new ATOM 0 HG22 THR A 67 16.984 -3.952 4.863 1.00 0.99 H new ATOM 0 HG23 THR A 67 16.149 -4.073 6.429 1.00 0.99 H new ATOM 1094 N GLU A 68 16.697 -1.720 3.960 1.00 0.66 N ATOM 1095 CA GLU A 68 17.636 -1.089 3.042 1.00 0.67 C ATOM 1096 C GLU A 68 18.217 -2.109 2.069 1.00 0.60 C ATOM 1097 O GLU A 68 18.449 -3.263 2.430 1.00 0.69 O ATOM 1098 CB GLU A 68 18.763 -0.408 3.821 1.00 0.76 C ATOM 1099 CG GLU A 68 19.107 0.976 3.297 1.00 0.96 C ATOM 1100 CD GLU A 68 20.452 1.471 3.788 1.00 1.32 C ATOM 1101 OE1 GLU A 68 20.586 1.722 5.005 1.00 1.91 O ATOM 1102 OE2 GLU A 68 21.373 1.608 2.956 1.00 1.89 O ATOM 0 H GLU A 68 17.099 -1.984 4.859 1.00 0.66 H new ATOM 0 HA GLU A 68 17.094 -0.337 2.468 1.00 0.67 H new ATOM 0 HB2 GLU A 68 18.475 -0.330 4.869 1.00 0.76 H new ATOM 0 HB3 GLU A 68 19.653 -1.035 3.781 1.00 0.76 H new ATOM 0 HG2 GLU A 68 19.107 0.957 2.207 1.00 0.96 H new ATOM 0 HG3 GLU A 68 18.332 1.679 3.603 1.00 0.96 H new ATOM 1109 N ASP A 69 18.452 -1.677 0.834 1.00 0.52 N ATOM 1110 CA ASP A 69 19.009 -2.555 -0.189 1.00 0.49 C ATOM 1111 C ASP A 69 18.050 -3.699 -0.504 1.00 0.44 C ATOM 1112 O ASP A 69 18.397 -4.871 -0.351 1.00 0.54 O ATOM 1113 CB ASP A 69 20.356 -3.115 0.273 1.00 0.59 C ATOM 1114 CG ASP A 69 21.019 -3.975 -0.786 1.00 1.06 C ATOM 1115 OD1 ASP A 69 20.945 -3.612 -1.977 1.00 1.66 O ATOM 1116 OD2 ASP A 69 21.613 -5.011 -0.421 1.00 1.87 O ATOM 0 H ASP A 69 18.266 -0.725 0.518 1.00 0.52 H new ATOM 0 HA ASP A 69 19.157 -1.970 -1.097 1.00 0.49 H new ATOM 0 HB2 ASP A 69 21.019 -2.290 0.534 1.00 0.59 H new ATOM 0 HB3 ASP A 69 20.210 -3.705 1.177 1.00 0.59 H new ATOM 1121 N ALA A 70 16.845 -3.352 -0.942 1.00 0.40 N ATOM 1122 CA ALA A 70 15.839 -4.350 -1.276 1.00 0.40 C ATOM 1123 C ALA A 70 14.594 -3.707 -1.873 1.00 0.35 C ATOM 1124 O ALA A 70 13.988 -2.824 -1.265 1.00 0.36 O ATOM 1125 CB ALA A 70 15.464 -5.151 -0.040 1.00 0.49 C ATOM 0 H ALA A 70 16.542 -2.387 -1.074 1.00 0.40 H new ATOM 0 HA ALA A 70 16.268 -5.017 -2.024 1.00 0.40 H new ATOM 0 HB1 ALA A 70 14.711 -5.894 -0.303 1.00 0.49 H new ATOM 0 HB2 ALA A 70 16.349 -5.654 0.350 1.00 0.49 H new ATOM 0 HB3 ALA A 70 15.063 -4.481 0.720 1.00 0.49 H new ATOM 1131 N ALA A 71 14.210 -4.159 -3.062 1.00 0.33 N ATOM 1132 CA ALA A 71 13.031 -3.628 -3.729 1.00 0.30 C ATOM 1133 C ALA A 71 11.769 -4.056 -2.992 1.00 0.27 C ATOM 1134 O ALA A 71 11.589 -5.235 -2.686 1.00 0.36 O ATOM 1135 CB ALA A 71 12.989 -4.087 -5.179 1.00 0.34 C ATOM 0 H ALA A 71 14.697 -4.890 -3.581 1.00 0.33 H new ATOM 0 HA ALA A 71 13.084 -2.539 -3.717 1.00 0.30 H new ATOM 0 HB1 ALA A 71 12.101 -3.681 -5.664 1.00 0.34 H new ATOM 0 HB2 ALA A 71 13.880 -3.733 -5.699 1.00 0.34 H new ATOM 0 HB3 ALA A 71 12.956 -5.176 -5.215 1.00 0.34 H new ATOM 1141 N TYR A 72 10.900 -3.095 -2.698 1.00 0.24 N ATOM 1142 CA TYR A 72 9.667 -3.391 -1.983 1.00 0.24 C ATOM 1143 C TYR A 72 8.434 -2.928 -2.750 1.00 0.21 C ATOM 1144 O TYR A 72 8.257 -1.737 -3.006 1.00 0.23 O ATOM 1145 CB TYR A 72 9.685 -2.728 -0.608 1.00 0.30 C ATOM 1146 CG TYR A 72 10.516 -3.463 0.414 1.00 0.31 C ATOM 1147 CD1 TYR A 72 9.977 -4.505 1.159 1.00 0.49 C ATOM 1148 CD2 TYR A 72 11.841 -3.115 0.632 1.00 0.36 C ATOM 1149 CE1 TYR A 72 10.740 -5.178 2.094 1.00 0.56 C ATOM 1150 CE2 TYR A 72 12.610 -3.782 1.563 1.00 0.42 C ATOM 1151 CZ TYR A 72 12.038 -4.820 2.302 1.00 0.46 C ATOM 1152 OH TYR A 72 12.818 -5.481 3.223 1.00 0.56 O ATOM 0 H TYR A 72 11.026 -2.113 -2.942 1.00 0.24 H new ATOM 0 HA TYR A 72 9.610 -4.474 -1.875 1.00 0.24 H new ATOM 0 HB2 TYR A 72 10.067 -1.712 -0.710 1.00 0.30 H new ATOM 0 HB3 TYR A 72 8.662 -2.648 -0.241 1.00 0.30 H new ATOM 0 HD1 TYR A 72 8.947 -4.793 1.005 1.00 0.49 H new ATOM 0 HD2 TYR A 72 12.278 -2.308 0.063 1.00 0.36 H new ATOM 0 HE1 TYR A 72 10.307 -5.989 2.661 1.00 0.56 H new ATOM 0 HE2 TYR A 72 13.642 -3.505 1.719 1.00 0.42 H new ATOM 0 HH TYR A 72 13.592 -5.878 2.771 1.00 0.56 H new ATOM 1162 N GLU A 73 7.574 -3.880 -3.096 1.00 0.21 N ATOM 1163 CA GLU A 73 6.339 -3.575 -3.816 1.00 0.21 C ATOM 1164 C GLU A 73 5.169 -3.596 -2.838 1.00 0.23 C ATOM 1165 O GLU A 73 5.118 -4.453 -1.956 1.00 0.32 O ATOM 1166 CB GLU A 73 6.111 -4.591 -4.935 1.00 0.25 C ATOM 1167 CG GLU A 73 5.781 -3.957 -6.277 1.00 0.65 C ATOM 1168 CD GLU A 73 5.967 -4.914 -7.438 1.00 0.68 C ATOM 1169 OE1 GLU A 73 4.995 -5.617 -7.788 1.00 1.50 O ATOM 1170 OE2 GLU A 73 7.082 -4.961 -7.997 1.00 1.32 O ATOM 0 H GLU A 73 7.708 -4.870 -2.890 1.00 0.21 H new ATOM 0 HA GLU A 73 6.419 -2.585 -4.264 1.00 0.21 H new ATOM 0 HB2 GLU A 73 7.005 -5.206 -5.043 1.00 0.25 H new ATOM 0 HB3 GLU A 73 5.298 -5.258 -4.648 1.00 0.25 H new ATOM 0 HG2 GLU A 73 4.750 -3.604 -6.264 1.00 0.65 H new ATOM 0 HG3 GLU A 73 6.415 -3.083 -6.427 1.00 0.65 H new ATOM 1177 N PHE A 74 4.232 -2.656 -2.967 1.00 0.22 N ATOM 1178 CA PHE A 74 3.094 -2.633 -2.026 1.00 0.28 C ATOM 1179 C PHE A 74 1.739 -2.367 -2.688 1.00 0.25 C ATOM 1180 O PHE A 74 1.538 -1.337 -3.325 1.00 0.30 O ATOM 1181 CB PHE A 74 3.303 -1.599 -0.908 1.00 0.39 C ATOM 1182 CG PHE A 74 4.664 -0.963 -0.860 1.00 0.36 C ATOM 1183 CD1 PHE A 74 4.940 0.161 -1.620 1.00 0.52 C ATOM 1184 CD2 PHE A 74 5.662 -1.482 -0.050 1.00 0.42 C ATOM 1185 CE1 PHE A 74 6.183 0.756 -1.576 1.00 0.60 C ATOM 1186 CE2 PHE A 74 6.910 -0.890 -0.001 1.00 0.49 C ATOM 1187 CZ PHE A 74 7.171 0.231 -0.767 1.00 0.53 C ATOM 0 H PHE A 74 4.227 -1.926 -3.679 1.00 0.22 H new ATOM 0 HA PHE A 74 3.068 -3.641 -1.611 1.00 0.28 H new ATOM 0 HB2 PHE A 74 2.557 -0.812 -1.021 1.00 0.39 H new ATOM 0 HB3 PHE A 74 3.113 -2.083 0.050 1.00 0.39 H new ATOM 0 HD1 PHE A 74 4.172 0.577 -2.255 1.00 0.52 H new ATOM 0 HD2 PHE A 74 5.462 -2.358 0.549 1.00 0.42 H new ATOM 0 HE1 PHE A 74 6.384 1.633 -2.174 1.00 0.60 H new ATOM 0 HE2 PHE A 74 7.680 -1.302 0.634 1.00 0.49 H new ATOM 0 HZ PHE A 74 8.146 0.695 -0.733 1.00 0.53 H new ATOM 1197 N ARG A 75 0.802 -3.296 -2.498 1.00 0.27 N ATOM 1198 CA ARG A 75 -0.550 -3.162 -3.049 1.00 0.34 C ATOM 1199 C ARG A 75 -1.497 -2.621 -1.983 1.00 0.31 C ATOM 1200 O ARG A 75 -1.266 -2.839 -0.802 1.00 0.45 O ATOM 1201 CB ARG A 75 -1.050 -4.523 -3.554 1.00 0.46 C ATOM 1202 CG ARG A 75 -1.516 -5.472 -2.454 1.00 0.94 C ATOM 1203 CD ARG A 75 -0.692 -6.746 -2.416 1.00 1.08 C ATOM 1204 NE ARG A 75 -0.397 -7.264 -3.750 1.00 0.87 N ATOM 1205 CZ ARG A 75 -1.288 -7.889 -4.512 1.00 1.39 C ATOM 1206 NH1 ARG A 75 -2.527 -8.074 -4.075 1.00 2.11 N ATOM 1207 NH2 ARG A 75 -0.940 -8.331 -5.712 1.00 1.87 N ATOM 0 H ARG A 75 0.954 -4.153 -1.965 1.00 0.27 H new ATOM 0 HA ARG A 75 -0.523 -2.463 -3.885 1.00 0.34 H new ATOM 0 HB2 ARG A 75 -1.874 -4.359 -4.248 1.00 0.46 H new ATOM 0 HB3 ARG A 75 -0.250 -5.004 -4.117 1.00 0.46 H new ATOM 0 HG2 ARG A 75 -1.450 -4.969 -1.489 1.00 0.94 H new ATOM 0 HG3 ARG A 75 -2.565 -5.723 -2.612 1.00 0.94 H new ATOM 0 HD2 ARG A 75 0.243 -6.554 -1.890 1.00 1.08 H new ATOM 0 HD3 ARG A 75 -1.229 -7.505 -1.846 1.00 1.08 H new ATOM 0 HE ARG A 75 0.546 -7.139 -4.117 1.00 0.87 H new ATOM 0 HH11 ARG A 75 -2.798 -7.736 -3.152 1.00 2.11 H new ATOM 0 HH12 ARG A 75 -3.209 -8.554 -4.663 1.00 2.11 H new ATOM 0 HH21 ARG A 75 0.012 -8.191 -6.051 1.00 1.87 H new ATOM 0 HH22 ARG A 75 -1.624 -8.811 -6.297 1.00 1.87 H new ATOM 1221 N VAL A 76 -2.560 -1.922 -2.386 1.00 0.32 N ATOM 1222 CA VAL A 76 -3.507 -1.378 -1.408 1.00 0.39 C ATOM 1223 C VAL A 76 -4.871 -2.067 -1.465 1.00 0.31 C ATOM 1224 O VAL A 76 -5.702 -1.756 -2.319 1.00 0.43 O ATOM 1225 CB VAL A 76 -3.719 0.152 -1.571 1.00 0.60 C ATOM 1226 CG1 VAL A 76 -4.780 0.665 -0.599 1.00 0.47 C ATOM 1227 CG2 VAL A 76 -2.422 0.909 -1.355 1.00 0.54 C ATOM 0 H VAL A 76 -2.785 -1.722 -3.361 1.00 0.32 H new ATOM 0 HA VAL A 76 -3.049 -1.574 -0.439 1.00 0.39 H new ATOM 0 HB VAL A 76 -4.062 0.326 -2.591 1.00 0.60 H new ATOM 0 HG11 VAL A 76 -4.909 1.739 -0.734 1.00 0.47 H new ATOM 0 HG12 VAL A 76 -5.726 0.159 -0.793 1.00 0.47 H new ATOM 0 HG13 VAL A 76 -4.464 0.464 0.424 1.00 0.47 H new ATOM 0 HG21 VAL A 76 -2.600 1.978 -1.475 1.00 0.54 H new ATOM 0 HG22 VAL A 76 -2.050 0.714 -0.349 1.00 0.54 H new ATOM 0 HG23 VAL A 76 -1.683 0.580 -2.085 1.00 0.54 H new ATOM 1237 N ILE A 77 -5.105 -2.973 -0.521 1.00 0.33 N ATOM 1238 CA ILE A 77 -6.369 -3.670 -0.416 1.00 0.31 C ATOM 1239 C ILE A 77 -7.195 -2.969 0.656 1.00 0.30 C ATOM 1240 O ILE A 77 -6.632 -2.317 1.541 1.00 0.42 O ATOM 1241 CB ILE A 77 -6.168 -5.151 -0.029 1.00 0.40 C ATOM 1242 CG1 ILE A 77 -5.497 -5.918 -1.161 1.00 0.45 C ATOM 1243 CG2 ILE A 77 -7.497 -5.795 0.321 1.00 0.70 C ATOM 1244 CD1 ILE A 77 -4.796 -7.176 -0.703 1.00 0.42 C ATOM 0 H ILE A 77 -4.422 -3.240 0.188 1.00 0.33 H new ATOM 0 HA ILE A 77 -6.875 -3.651 -1.381 1.00 0.31 H new ATOM 0 HB ILE A 77 -5.520 -5.187 0.846 1.00 0.40 H new ATOM 0 HG12 ILE A 77 -6.248 -6.181 -1.907 1.00 0.45 H new ATOM 0 HG13 ILE A 77 -4.774 -5.267 -1.652 1.00 0.45 H new ATOM 0 HG21 ILE A 77 -7.336 -6.839 0.591 1.00 0.70 H new ATOM 0 HG22 ILE A 77 -7.946 -5.268 1.162 1.00 0.70 H new ATOM 0 HG23 ILE A 77 -8.165 -5.742 -0.539 1.00 0.70 H new ATOM 0 HD11 ILE A 77 -4.341 -7.672 -1.560 1.00 0.42 H new ATOM 0 HD12 ILE A 77 -4.022 -6.919 0.020 1.00 0.42 H new ATOM 0 HD13 ILE A 77 -5.519 -7.847 -0.238 1.00 0.42 H new ATOM 1256 N ALA A 78 -8.514 -3.079 0.601 1.00 0.27 N ATOM 1257 CA ALA A 78 -9.319 -2.410 1.614 1.00 0.30 C ATOM 1258 C ALA A 78 -10.772 -2.843 1.606 1.00 0.34 C ATOM 1259 O ALA A 78 -11.390 -2.972 0.555 1.00 0.60 O ATOM 1260 CB ALA A 78 -9.224 -0.905 1.427 1.00 0.39 C ATOM 0 H ALA A 78 -9.034 -3.602 -0.103 1.00 0.27 H new ATOM 0 HA ALA A 78 -8.915 -2.699 2.584 1.00 0.30 H new ATOM 0 HB1 ALA A 78 -9.827 -0.405 2.185 1.00 0.39 H new ATOM 0 HB2 ALA A 78 -8.185 -0.591 1.525 1.00 0.39 H new ATOM 0 HB3 ALA A 78 -9.592 -0.637 0.437 1.00 0.39 H new ATOM 1266 N LYS A 79 -11.317 -3.043 2.798 1.00 0.38 N ATOM 1267 CA LYS A 79 -12.707 -3.437 2.941 1.00 0.43 C ATOM 1268 C LYS A 79 -13.602 -2.218 2.758 1.00 0.59 C ATOM 1269 O LYS A 79 -13.186 -1.218 2.171 1.00 1.31 O ATOM 1270 CB LYS A 79 -12.954 -4.065 4.317 1.00 0.56 C ATOM 1271 CG LYS A 79 -11.980 -5.167 4.677 1.00 1.07 C ATOM 1272 CD LYS A 79 -12.588 -6.108 5.702 1.00 1.50 C ATOM 1273 CE LYS A 79 -11.592 -6.450 6.795 1.00 1.71 C ATOM 1274 NZ LYS A 79 -12.070 -7.565 7.659 1.00 1.98 N ATOM 0 H LYS A 79 -10.815 -2.938 3.680 1.00 0.38 H new ATOM 0 HA LYS A 79 -12.941 -4.180 2.179 1.00 0.43 H new ATOM 0 HB2 LYS A 79 -12.900 -3.284 5.076 1.00 0.56 H new ATOM 0 HB3 LYS A 79 -13.967 -4.467 4.345 1.00 0.56 H new ATOM 0 HG2 LYS A 79 -11.707 -5.725 3.781 1.00 1.07 H new ATOM 0 HG3 LYS A 79 -11.063 -4.733 5.074 1.00 1.07 H new ATOM 0 HD2 LYS A 79 -13.472 -5.647 6.143 1.00 1.50 H new ATOM 0 HD3 LYS A 79 -12.918 -7.022 5.209 1.00 1.50 H new ATOM 0 HE2 LYS A 79 -10.639 -6.725 6.343 1.00 1.71 H new ATOM 0 HE3 LYS A 79 -11.411 -5.568 7.409 1.00 1.71 H new ATOM 0 HZ1 LYS A 79 -11.360 -7.766 8.392 1.00 1.98 H new ATOM 0 HZ2 LYS A 79 -12.967 -7.294 8.111 1.00 1.98 H new ATOM 0 HZ3 LYS A 79 -12.218 -8.415 7.078 1.00 1.98 H new ATOM 1288 N ASN A 80 -14.822 -2.300 3.260 1.00 0.65 N ATOM 1289 CA ASN A 80 -15.759 -1.201 3.149 1.00 0.70 C ATOM 1290 C ASN A 80 -16.539 -1.047 4.465 1.00 0.87 C ATOM 1291 O ASN A 80 -15.930 -1.016 5.536 1.00 1.55 O ATOM 1292 CB ASN A 80 -16.674 -1.443 1.947 1.00 0.67 C ATOM 1293 CG ASN A 80 -17.337 -2.804 1.990 1.00 1.39 C ATOM 1294 OD1 ASN A 80 -17.433 -3.428 3.047 1.00 2.19 O ATOM 1295 ND2 ASN A 80 -17.796 -3.270 0.837 1.00 2.05 N ATOM 0 H ASN A 80 -15.185 -3.118 3.749 1.00 0.65 H new ATOM 0 HA ASN A 80 -15.232 -0.262 2.980 1.00 0.70 H new ATOM 0 HB2 ASN A 80 -17.441 -0.669 1.916 1.00 0.67 H new ATOM 0 HB3 ASN A 80 -16.094 -1.353 1.029 1.00 0.67 H new ATOM 0 HD21 ASN A 80 -18.252 -4.182 0.801 1.00 2.05 H new ATOM 0 HD22 ASN A 80 -17.694 -2.717 -0.014 1.00 2.05 H new ATOM 1302 N ALA A 81 -17.868 -0.961 4.408 1.00 0.76 N ATOM 1303 CA ALA A 81 -18.669 -0.826 5.617 1.00 0.82 C ATOM 1304 C ALA A 81 -19.483 -2.091 5.882 1.00 0.88 C ATOM 1305 O ALA A 81 -20.117 -2.221 6.929 1.00 1.08 O ATOM 1306 CB ALA A 81 -19.592 0.377 5.508 1.00 0.83 C ATOM 0 H ALA A 81 -18.407 -0.983 3.542 1.00 0.76 H new ATOM 0 HA ALA A 81 -17.989 -0.677 6.456 1.00 0.82 H new ATOM 0 HB1 ALA A 81 -20.184 0.465 6.419 1.00 0.83 H new ATOM 0 HB2 ALA A 81 -18.998 1.281 5.373 1.00 0.83 H new ATOM 0 HB3 ALA A 81 -20.257 0.249 4.654 1.00 0.83 H new ATOM 1312 N ALA A 82 -19.467 -3.021 4.927 1.00 0.81 N ATOM 1313 CA ALA A 82 -20.206 -4.266 5.062 1.00 0.90 C ATOM 1314 C ALA A 82 -19.276 -5.459 5.283 1.00 0.88 C ATOM 1315 O ALA A 82 -19.734 -6.599 5.355 1.00 1.06 O ATOM 1316 CB ALA A 82 -21.065 -4.488 3.825 1.00 0.94 C ATOM 0 H ALA A 82 -18.949 -2.931 4.053 1.00 0.81 H new ATOM 0 HA ALA A 82 -20.845 -4.185 5.942 1.00 0.90 H new ATOM 0 HB1 ALA A 82 -21.618 -5.422 3.929 1.00 0.94 H new ATOM 0 HB2 ALA A 82 -21.767 -3.661 3.716 1.00 0.94 H new ATOM 0 HB3 ALA A 82 -20.426 -4.540 2.943 1.00 0.94 H new ATOM 1322 N GLY A 83 -17.972 -5.202 5.394 1.00 0.82 N ATOM 1323 CA GLY A 83 -17.027 -6.281 5.608 1.00 0.86 C ATOM 1324 C GLY A 83 -16.415 -6.790 4.317 1.00 0.78 C ATOM 1325 O GLY A 83 -15.357 -7.419 4.334 1.00 0.93 O ATOM 0 H GLY A 83 -17.559 -4.271 5.340 1.00 0.82 H new ATOM 0 HA2 GLY A 83 -16.233 -5.936 6.270 1.00 0.86 H new ATOM 0 HA3 GLY A 83 -17.531 -7.104 6.115 1.00 0.86 H new ATOM 1329 N ALA A 84 -17.074 -6.517 3.194 1.00 0.72 N ATOM 1330 CA ALA A 84 -16.575 -6.953 1.897 1.00 0.78 C ATOM 1331 C ALA A 84 -15.186 -6.383 1.643 1.00 0.76 C ATOM 1332 O ALA A 84 -14.973 -5.175 1.738 1.00 1.38 O ATOM 1333 CB ALA A 84 -17.534 -6.540 0.790 1.00 0.92 C ATOM 0 H ALA A 84 -17.951 -5.998 3.158 1.00 0.72 H new ATOM 0 HA ALA A 84 -16.505 -8.041 1.901 1.00 0.78 H new ATOM 0 HB1 ALA A 84 -17.145 -6.874 -0.172 1.00 0.92 H new ATOM 0 HB2 ALA A 84 -18.509 -6.995 0.965 1.00 0.92 H new ATOM 0 HB3 ALA A 84 -17.636 -5.455 0.783 1.00 0.92 H new ATOM 1339 N ILE A 85 -14.241 -7.259 1.328 1.00 0.50 N ATOM 1340 CA ILE A 85 -12.871 -6.839 1.072 1.00 0.40 C ATOM 1341 C ILE A 85 -12.674 -6.418 -0.376 1.00 0.38 C ATOM 1342 O ILE A 85 -12.705 -7.248 -1.284 1.00 0.48 O ATOM 1343 CB ILE A 85 -11.866 -7.961 1.404 1.00 0.48 C ATOM 1344 CG1 ILE A 85 -10.426 -7.473 1.206 1.00 0.54 C ATOM 1345 CG2 ILE A 85 -12.139 -9.181 0.540 1.00 0.57 C ATOM 1346 CD1 ILE A 85 -9.861 -6.747 2.407 1.00 0.79 C ATOM 0 H ILE A 85 -14.398 -8.263 1.244 1.00 0.50 H new ATOM 0 HA ILE A 85 -12.686 -5.983 1.721 1.00 0.40 H new ATOM 0 HB ILE A 85 -11.990 -8.239 2.451 1.00 0.48 H new ATOM 0 HG12 ILE A 85 -9.790 -8.328 0.977 1.00 0.54 H new ATOM 0 HG13 ILE A 85 -10.392 -6.809 0.342 1.00 0.54 H new ATOM 0 HG21 ILE A 85 -11.423 -9.966 0.783 1.00 0.57 H new ATOM 0 HG22 ILE A 85 -13.151 -9.541 0.728 1.00 0.57 H new ATOM 0 HG23 ILE A 85 -12.039 -8.912 -0.512 1.00 0.57 H new ATOM 0 HD11 ILE A 85 -8.840 -6.431 2.194 1.00 0.79 H new ATOM 0 HD12 ILE A 85 -10.473 -5.872 2.624 1.00 0.79 H new ATOM 0 HD13 ILE A 85 -9.862 -7.414 3.269 1.00 0.79 H new ATOM 1358 N SER A 86 -12.460 -5.124 -0.587 1.00 0.39 N ATOM 1359 CA SER A 86 -12.243 -4.608 -1.928 1.00 0.45 C ATOM 1360 C SER A 86 -10.899 -5.111 -2.454 1.00 0.44 C ATOM 1361 O SER A 86 -9.862 -4.913 -1.802 1.00 0.43 O ATOM 1362 CB SER A 86 -12.283 -3.077 -1.938 1.00 0.54 C ATOM 1363 OG SER A 86 -10.988 -2.525 -1.791 1.00 0.59 O ATOM 0 H SER A 86 -12.433 -4.419 0.150 1.00 0.39 H new ATOM 0 HA SER A 86 -13.042 -4.966 -2.577 1.00 0.45 H new ATOM 0 HB2 SER A 86 -12.724 -2.729 -2.872 1.00 0.54 H new ATOM 0 HB3 SER A 86 -12.925 -2.723 -1.131 1.00 0.54 H new ATOM 0 HG SER A 86 -10.820 -2.331 -0.845 1.00 0.59 H new ATOM 1369 N PRO A 87 -10.898 -5.773 -3.629 1.00 0.52 N ATOM 1370 CA PRO A 87 -9.690 -6.316 -4.240 1.00 0.61 C ATOM 1371 C PRO A 87 -8.470 -5.421 -4.057 1.00 0.54 C ATOM 1372 O PRO A 87 -8.594 -4.239 -3.738 1.00 0.63 O ATOM 1373 CB PRO A 87 -10.068 -6.407 -5.713 1.00 0.85 C ATOM 1374 CG PRO A 87 -11.533 -6.686 -5.706 1.00 0.74 C ATOM 1375 CD PRO A 87 -12.089 -6.049 -4.456 1.00 0.59 C ATOM 0 HA PRO A 87 -9.399 -7.265 -3.789 1.00 0.61 H new ATOM 0 HB2 PRO A 87 -9.843 -5.479 -6.239 1.00 0.85 H new ATOM 0 HB3 PRO A 87 -9.515 -7.200 -6.216 1.00 0.85 H new ATOM 0 HG2 PRO A 87 -12.010 -6.274 -6.595 1.00 0.74 H new ATOM 0 HG3 PRO A 87 -11.723 -7.759 -5.711 1.00 0.74 H new ATOM 0 HD2 PRO A 87 -12.636 -5.134 -4.685 1.00 0.59 H new ATOM 0 HD3 PRO A 87 -12.783 -6.716 -3.944 1.00 0.59 H new ATOM 1383 N PRO A 88 -7.264 -5.979 -4.258 1.00 0.55 N ATOM 1384 CA PRO A 88 -6.016 -5.234 -4.114 1.00 0.56 C ATOM 1385 C PRO A 88 -5.797 -4.232 -5.237 1.00 0.48 C ATOM 1386 O PRO A 88 -6.177 -4.470 -6.384 1.00 0.68 O ATOM 1387 CB PRO A 88 -4.927 -6.318 -4.146 1.00 0.69 C ATOM 1388 CG PRO A 88 -5.646 -7.628 -4.092 1.00 0.76 C ATOM 1389 CD PRO A 88 -7.018 -7.377 -4.641 1.00 0.72 C ATOM 0 HA PRO A 88 -6.014 -4.641 -3.200 1.00 0.56 H new ATOM 0 HB2 PRO A 88 -4.326 -6.240 -5.052 1.00 0.69 H new ATOM 0 HB3 PRO A 88 -4.246 -6.212 -3.301 1.00 0.69 H new ATOM 0 HG2 PRO A 88 -5.124 -8.383 -4.680 1.00 0.76 H new ATOM 0 HG3 PRO A 88 -5.699 -8.001 -3.069 1.00 0.76 H new ATOM 0 HD2 PRO A 88 -7.054 -7.514 -5.722 1.00 0.72 H new ATOM 0 HD3 PRO A 88 -7.757 -8.052 -4.210 1.00 0.72 H new ATOM 1397 N SER A 89 -5.176 -3.110 -4.893 1.00 0.43 N ATOM 1398 CA SER A 89 -4.893 -2.063 -5.862 1.00 0.42 C ATOM 1399 C SER A 89 -3.450 -2.155 -6.343 1.00 0.35 C ATOM 1400 O SER A 89 -2.525 -1.812 -5.603 1.00 0.51 O ATOM 1401 CB SER A 89 -5.160 -0.688 -5.247 1.00 0.56 C ATOM 1402 OG SER A 89 -6.549 -0.403 -5.216 1.00 1.28 O ATOM 0 H SER A 89 -4.859 -2.903 -3.946 1.00 0.43 H new ATOM 0 HA SER A 89 -5.552 -2.198 -6.720 1.00 0.42 H new ATOM 0 HB2 SER A 89 -4.756 -0.654 -4.235 1.00 0.56 H new ATOM 0 HB3 SER A 89 -4.641 0.078 -5.823 1.00 0.56 H new ATOM 0 HG SER A 89 -6.693 0.481 -4.817 1.00 1.28 H new ATOM 1408 N GLU A 90 -3.293 -2.629 -7.591 1.00 0.38 N ATOM 1409 CA GLU A 90 -1.991 -2.810 -8.268 1.00 0.37 C ATOM 1410 C GLU A 90 -0.785 -2.371 -7.429 1.00 0.34 C ATOM 1411 O GLU A 90 -0.556 -1.176 -7.238 1.00 0.44 O ATOM 1412 CB GLU A 90 -1.995 -2.039 -9.589 1.00 0.49 C ATOM 1413 CG GLU A 90 -2.570 -2.833 -10.752 1.00 0.90 C ATOM 1414 CD GLU A 90 -1.785 -2.644 -12.035 1.00 1.10 C ATOM 1415 OE1 GLU A 90 -0.854 -1.811 -12.044 1.00 1.76 O ATOM 1416 OE2 GLU A 90 -2.101 -3.329 -13.030 1.00 1.77 O ATOM 0 H GLU A 90 -4.084 -2.904 -8.173 1.00 0.38 H new ATOM 0 HA GLU A 90 -1.878 -3.881 -8.434 1.00 0.37 H new ATOM 0 HB2 GLU A 90 -2.572 -1.123 -9.464 1.00 0.49 H new ATOM 0 HB3 GLU A 90 -0.974 -1.743 -9.831 1.00 0.49 H new ATOM 0 HG2 GLU A 90 -2.584 -3.891 -10.492 1.00 0.90 H new ATOM 0 HG3 GLU A 90 -3.604 -2.531 -10.916 1.00 0.90 H new ATOM 1423 N PRO A 91 0.003 -3.334 -6.917 1.00 0.30 N ATOM 1424 CA PRO A 91 1.180 -3.043 -6.104 1.00 0.29 C ATOM 1425 C PRO A 91 1.962 -1.827 -6.594 1.00 0.31 C ATOM 1426 O PRO A 91 2.001 -1.537 -7.788 1.00 0.55 O ATOM 1427 CB PRO A 91 2.023 -4.303 -6.265 1.00 0.36 C ATOM 1428 CG PRO A 91 1.036 -5.405 -6.453 1.00 0.36 C ATOM 1429 CD PRO A 91 -0.189 -4.789 -7.091 1.00 0.39 C ATOM 0 HA PRO A 91 0.909 -2.803 -5.076 1.00 0.29 H new ATOM 0 HB2 PRO A 91 2.693 -4.223 -7.121 1.00 0.36 H new ATOM 0 HB3 PRO A 91 2.646 -4.476 -5.387 1.00 0.36 H new ATOM 0 HG2 PRO A 91 1.449 -6.190 -7.087 1.00 0.36 H new ATOM 0 HG3 PRO A 91 0.784 -5.866 -5.498 1.00 0.36 H new ATOM 0 HD2 PRO A 91 -0.266 -5.057 -8.145 1.00 0.39 H new ATOM 0 HD3 PRO A 91 -1.104 -5.130 -6.607 1.00 0.39 H new ATOM 1437 N SER A 92 2.595 -1.133 -5.655 1.00 0.27 N ATOM 1438 CA SER A 92 3.395 0.036 -5.965 1.00 0.31 C ATOM 1439 C SER A 92 4.780 -0.419 -6.379 1.00 0.27 C ATOM 1440 O SER A 92 5.348 -1.323 -5.754 1.00 0.24 O ATOM 1441 CB SER A 92 3.475 0.977 -4.751 1.00 0.39 C ATOM 1442 OG SER A 92 4.804 1.406 -4.495 1.00 1.23 O ATOM 0 H SER A 92 2.566 -1.367 -4.663 1.00 0.27 H new ATOM 0 HA SER A 92 2.932 0.589 -6.782 1.00 0.31 H new ATOM 0 HB2 SER A 92 2.841 1.846 -4.924 1.00 0.39 H new ATOM 0 HB3 SER A 92 3.083 0.467 -3.871 1.00 0.39 H new ATOM 0 HG SER A 92 5.075 1.114 -3.600 1.00 1.23 H new ATOM 1448 N ASP A 93 5.308 0.211 -7.433 1.00 0.33 N ATOM 1449 CA ASP A 93 6.631 -0.114 -7.964 1.00 0.36 C ATOM 1450 C ASP A 93 7.617 -0.453 -6.856 1.00 0.32 C ATOM 1451 O ASP A 93 7.755 0.286 -5.881 1.00 0.56 O ATOM 1452 CB ASP A 93 7.175 1.048 -8.795 1.00 0.45 C ATOM 1453 CG ASP A 93 6.144 1.610 -9.756 1.00 0.89 C ATOM 1454 OD1 ASP A 93 5.959 1.018 -10.840 1.00 1.55 O ATOM 1455 OD2 ASP A 93 5.523 2.644 -9.427 1.00 1.63 O ATOM 0 H ASP A 93 4.831 0.957 -7.939 1.00 0.33 H new ATOM 0 HA ASP A 93 6.516 -0.993 -8.598 1.00 0.36 H new ATOM 0 HB2 ASP A 93 7.514 1.840 -8.127 1.00 0.45 H new ATOM 0 HB3 ASP A 93 8.046 0.711 -9.358 1.00 0.45 H new ATOM 1460 N ALA A 94 8.296 -1.577 -7.015 1.00 0.33 N ATOM 1461 CA ALA A 94 9.266 -2.020 -6.030 1.00 0.28 C ATOM 1462 C ALA A 94 10.380 -0.995 -5.863 1.00 0.29 C ATOM 1463 O ALA A 94 11.105 -0.690 -6.810 1.00 0.41 O ATOM 1464 CB ALA A 94 9.842 -3.369 -6.430 1.00 0.34 C ATOM 0 H ALA A 94 8.193 -2.199 -7.817 1.00 0.33 H new ATOM 0 HA ALA A 94 8.757 -2.125 -5.072 1.00 0.28 H new ATOM 0 HB1 ALA A 94 10.568 -3.690 -5.683 1.00 0.34 H new ATOM 0 HB2 ALA A 94 9.039 -4.103 -6.494 1.00 0.34 H new ATOM 0 HB3 ALA A 94 10.333 -3.282 -7.399 1.00 0.34 H new ATOM 1470 N ILE A 95 10.513 -0.470 -4.653 1.00 0.25 N ATOM 1471 CA ILE A 95 11.542 0.516 -4.364 1.00 0.28 C ATOM 1472 C ILE A 95 12.754 -0.150 -3.729 1.00 0.26 C ATOM 1473 O ILE A 95 12.685 -0.638 -2.601 1.00 0.25 O ATOM 1474 CB ILE A 95 11.017 1.625 -3.432 1.00 0.33 C ATOM 1475 CG1 ILE A 95 9.714 2.210 -3.984 1.00 0.41 C ATOM 1476 CG2 ILE A 95 12.064 2.717 -3.269 1.00 0.41 C ATOM 1477 CD1 ILE A 95 8.468 1.583 -3.394 1.00 0.44 C ATOM 0 H ILE A 95 9.922 -0.711 -3.857 1.00 0.25 H new ATOM 0 HA ILE A 95 11.832 0.971 -5.311 1.00 0.28 H new ATOM 0 HB ILE A 95 10.814 1.191 -2.453 1.00 0.33 H new ATOM 0 HG12 ILE A 95 9.697 3.283 -3.791 1.00 0.41 H new ATOM 0 HG13 ILE A 95 9.698 2.081 -5.066 1.00 0.41 H new ATOM 0 HG21 ILE A 95 11.680 3.494 -2.608 1.00 0.41 H new ATOM 0 HG22 ILE A 95 12.970 2.291 -2.839 1.00 0.41 H new ATOM 0 HG23 ILE A 95 12.293 3.150 -4.243 1.00 0.41 H new ATOM 0 HD11 ILE A 95 7.585 2.047 -3.832 1.00 0.44 H new ATOM 0 HD12 ILE A 95 8.461 0.515 -3.610 1.00 0.44 H new ATOM 0 HD13 ILE A 95 8.460 1.735 -2.315 1.00 0.44 H new ATOM 1489 N THR A 96 13.863 -0.176 -4.466 1.00 0.29 N ATOM 1490 CA THR A 96 15.096 -0.792 -3.980 1.00 0.32 C ATOM 1491 C THR A 96 15.396 -0.373 -2.547 1.00 0.32 C ATOM 1492 O THR A 96 16.005 -1.122 -1.786 1.00 0.38 O ATOM 1493 CB THR A 96 16.272 -0.417 -4.885 1.00 0.37 C ATOM 1494 OG1 THR A 96 16.056 -0.885 -6.204 1.00 0.44 O ATOM 1495 CG2 THR A 96 17.594 -0.979 -4.411 1.00 0.43 C ATOM 0 H THR A 96 13.933 0.223 -5.402 1.00 0.29 H new ATOM 0 HA THR A 96 14.956 -1.873 -4.000 1.00 0.32 H new ATOM 0 HB THR A 96 16.326 0.671 -4.854 1.00 0.37 H new ATOM 0 HG1 THR A 96 16.817 -0.635 -6.769 1.00 0.44 H new ATOM 0 HG21 THR A 96 18.385 -0.676 -5.097 1.00 0.43 H new ATOM 0 HG22 THR A 96 17.814 -0.600 -3.413 1.00 0.43 H new ATOM 0 HG23 THR A 96 17.537 -2.067 -4.381 1.00 0.43 H new ATOM 1503 N CYS A 97 14.964 0.830 -2.183 1.00 0.32 N ATOM 1504 CA CYS A 97 15.188 1.343 -0.836 1.00 0.36 C ATOM 1505 C CYS A 97 16.644 1.152 -0.419 1.00 0.43 C ATOM 1506 O CYS A 97 16.950 0.317 0.429 1.00 0.64 O ATOM 1507 CB CYS A 97 14.266 0.630 0.155 1.00 0.38 C ATOM 1508 SG CYS A 97 12.533 1.134 0.048 1.00 1.10 S ATOM 0 H CYS A 97 14.458 1.466 -2.800 1.00 0.32 H new ATOM 0 HA CYS A 97 14.964 2.410 -0.833 1.00 0.36 H new ATOM 0 HB2 CYS A 97 14.331 -0.445 -0.014 1.00 0.38 H new ATOM 0 HB3 CYS A 97 14.625 0.816 1.167 1.00 0.38 H new ATOM 0 HG CYS A 97 12.083 1.396 1.239 1.00 1.10 H new ATOM 1514 N ARG A 98 17.539 1.922 -1.026 1.00 0.53 N ATOM 1515 CA ARG A 98 18.959 1.824 -0.714 1.00 0.63 C ATOM 1516 C ARG A 98 19.413 2.983 0.180 1.00 0.80 C ATOM 1517 O ARG A 98 19.206 2.949 1.393 1.00 1.04 O ATOM 1518 CB ARG A 98 19.779 1.760 -2.008 1.00 0.68 C ATOM 1519 CG ARG A 98 19.222 2.629 -3.125 1.00 0.74 C ATOM 1520 CD ARG A 98 20.334 3.200 -3.989 1.00 0.92 C ATOM 1521 NE ARG A 98 21.152 2.149 -4.588 1.00 1.64 N ATOM 1522 CZ ARG A 98 22.361 2.357 -5.102 1.00 2.31 C ATOM 1523 NH1 ARG A 98 22.890 3.573 -5.089 1.00 3.00 N ATOM 1524 NH2 ARG A 98 23.041 1.348 -5.627 1.00 2.68 N ATOM 0 H ARG A 98 17.308 2.619 -1.734 1.00 0.53 H new ATOM 0 HA ARG A 98 19.128 0.904 -0.155 1.00 0.63 H new ATOM 0 HB2 ARG A 98 20.803 2.068 -1.795 1.00 0.68 H new ATOM 0 HB3 ARG A 98 19.822 0.726 -2.350 1.00 0.68 H new ATOM 0 HG2 ARG A 98 18.545 2.040 -3.743 1.00 0.74 H new ATOM 0 HG3 ARG A 98 18.637 3.443 -2.697 1.00 0.74 H new ATOM 0 HD2 ARG A 98 19.901 3.817 -4.777 1.00 0.92 H new ATOM 0 HD3 ARG A 98 20.965 3.851 -3.385 1.00 0.92 H new ATOM 0 HE ARG A 98 20.775 1.202 -4.614 1.00 1.64 H new ATOM 0 HH11 ARG A 98 22.370 4.351 -4.684 1.00 3.00 H new ATOM 0 HH12 ARG A 98 23.817 3.730 -5.484 1.00 3.00 H new ATOM 0 HH21 ARG A 98 22.637 0.411 -5.637 1.00 2.68 H new ATOM 0 HH22 ARG A 98 23.968 1.508 -6.021 1.00 2.68 H new ATOM 1538 N ASP A 99 20.028 4.005 -0.407 1.00 0.92 N ATOM 1539 CA ASP A 99 20.495 5.153 0.360 1.00 1.20 C ATOM 1540 C ASP A 99 19.493 6.302 0.290 1.00 1.03 C ATOM 1541 O ASP A 99 19.842 7.457 0.533 1.00 1.20 O ATOM 1542 CB ASP A 99 21.856 5.614 -0.163 1.00 1.61 C ATOM 1543 CG ASP A 99 21.762 6.250 -1.537 1.00 1.71 C ATOM 1544 OD1 ASP A 99 20.928 7.164 -1.711 1.00 2.08 O ATOM 1545 OD2 ASP A 99 22.522 5.837 -2.437 1.00 2.14 O ATOM 0 H ASP A 99 20.214 4.061 -1.408 1.00 0.92 H new ATOM 0 HA ASP A 99 20.594 4.849 1.402 1.00 1.20 H new ATOM 0 HB2 ASP A 99 22.288 6.329 0.537 1.00 1.61 H new ATOM 0 HB3 ASP A 99 22.534 4.761 -0.206 1.00 1.61 H new ATOM 1550 N ASP A 100 18.245 5.980 -0.044 1.00 0.85 N ATOM 1551 CA ASP A 100 17.198 6.990 -0.145 1.00 0.92 C ATOM 1552 C ASP A 100 17.610 8.118 -1.086 1.00 1.22 C ATOM 1553 O ASP A 100 17.078 9.225 -1.012 1.00 1.38 O ATOM 1554 CB ASP A 100 16.896 7.563 1.235 1.00 0.87 C ATOM 1555 CG ASP A 100 15.574 8.305 1.279 1.00 1.32 C ATOM 1556 OD1 ASP A 100 14.893 8.364 0.233 1.00 2.03 O ATOM 1557 OD2 ASP A 100 15.222 8.827 2.357 1.00 2.06 O ATOM 0 H ASP A 100 17.936 5.030 -0.249 1.00 0.85 H new ATOM 0 HA ASP A 100 16.305 6.512 -0.549 1.00 0.92 H new ATOM 0 HB2 ASP A 100 16.879 6.754 1.965 1.00 0.87 H new ATOM 0 HB3 ASP A 100 17.699 8.240 1.528 1.00 0.87 H new