USER MOD reduce.3.24.130724 H: found=0, std=0, add=751, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 747 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 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 98 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 75 THR OG1 : rot 180:sc= 0.00094 USER MOD Set 2.3: A 79 TYR OH : rot -112:sc= 1.21 USER MOD Set 3.1: A 24 HIS : no HD1:sc= -1.83! C(o=-3.6!,f=-7.2!) USER MOD Set 3.2: A 65 THR OG1 : rot -92:sc= -1.81! USER MOD Set 4.1: A 41 THR OG1 : rot -140:sc= 0 USER MOD Set 4.2: A 48 HIS : no HD1:sc= -1.06 X(o=-1.1,f=-1.2) USER MOD Set 5.1: A 31 THR OG1 : rot -52:sc= -0.072 USER MOD Set 5.2: A 66 MET CE :methyl -150:sc= -2.89 (180deg=-6.55!) USER MOD Single : A 1 HIS : no HD1:sc= -0.362 X(o=-0.36,f=-0.044) USER MOD Single : A 1 HIS N :NH3+ -155:sc= -3.6! (180deg=-4.86!) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 120:sc= -0.9 USER MOD Single : A 7 SER OG : rot 180:sc= -0.0462 USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.331 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN :FLIP amide:sc= -1.11 F(o=-6.4!,f=-1.1) USER MOD Single : A 32 GLN : amide:sc= -0.136 X(o=-0.14,f=-0.59) USER MOD Single : A 34 SER OG : rot -64:sc= 0.934 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc= -0.0128 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.14 USER MOD Single : A 72 SER OG : rot 180:sc= -0.304 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot -130:sc= -0.0895 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 HIS : no HE2:sc= -3.5! C(o=-3.5!,f=-3.2!) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 15.433 4.850 -2.225 1.00 6.56 N ATOM 2 CA HIS A 1 14.896 5.632 -3.326 1.00 5.21 C ATOM 3 C HIS A 1 13.689 6.437 -2.842 1.00 3.97 C ATOM 4 O HIS A 1 13.156 6.177 -1.764 1.00 4.55 O ATOM 5 CB HIS A 1 14.572 4.737 -4.522 1.00 6.12 C ATOM 6 CG HIS A 1 15.660 4.693 -5.569 1.00 7.31 C ATOM 7 ND1 HIS A 1 16.028 3.528 -6.219 1.00 8.76 N ATOM 8 CD2 HIS A 1 16.452 5.681 -6.072 1.00 7.76 C ATOM 9 CE1 HIS A 1 17.001 3.814 -7.072 1.00 9.84 C ATOM 10 NE2 HIS A 1 17.263 5.150 -6.979 1.00 9.24 N ATOM 0 H1 HIS A 1 16.439 4.651 -2.399 1.00 6.56 H new ATOM 0 H2 HIS A 1 15.334 5.385 -1.339 1.00 6.56 H new ATOM 0 H3 HIS A 1 14.911 3.954 -2.149 1.00 6.56 H new ATOM 0 HA HIS A 1 15.647 6.342 -3.673 1.00 5.21 H new ATOM 0 HB2 HIS A 1 14.385 3.724 -4.165 1.00 6.12 H new ATOM 0 HB3 HIS A 1 13.650 5.087 -4.986 1.00 6.12 H new ATOM 0 HD2 HIS A 1 16.425 6.721 -5.782 1.00 7.76 H new ATOM 0 HE1 HIS A 1 17.499 3.113 -7.726 1.00 9.84 H new ATOM 0 HE2 HIS A 1 17.966 5.657 -7.517 1.00 9.24 H new ATOM 20 N PRO A 2 13.279 7.422 -3.686 1.00 3.46 N ATOM 21 CA PRO A 2 12.143 8.266 -3.355 1.00 3.63 C ATOM 22 C PRO A 2 10.826 7.510 -3.543 1.00 3.03 C ATOM 23 O PRO A 2 9.988 7.483 -2.643 1.00 3.14 O ATOM 24 CB PRO A 2 12.272 9.473 -4.270 1.00 4.93 C ATOM 25 CG PRO A 2 13.201 9.048 -5.394 1.00 5.22 C ATOM 26 CD PRO A 2 13.885 7.757 -4.970 1.00 4.41 C ATOM 0 HA PRO A 2 12.137 8.574 -2.309 1.00 3.63 H new ATOM 0 HB2 PRO A 2 11.299 9.773 -4.660 1.00 4.93 H new ATOM 0 HB3 PRO A 2 12.677 10.330 -3.731 1.00 4.93 H new ATOM 0 HG2 PRO A 2 12.640 8.898 -6.317 1.00 5.22 H new ATOM 0 HG3 PRO A 2 13.940 9.824 -5.593 1.00 5.22 H new ATOM 0 HD2 PRO A 2 13.725 6.965 -5.702 1.00 4.41 H new ATOM 0 HD3 PRO A 2 14.963 7.892 -4.876 1.00 4.41 H new ATOM 34 N LYS A 3 10.685 6.915 -4.718 1.00 2.57 N ATOM 35 CA LYS A 3 9.484 6.161 -5.036 1.00 2.09 C ATOM 36 C LYS A 3 9.857 4.956 -5.901 1.00 1.58 C ATOM 37 O LYS A 3 10.725 5.054 -6.768 1.00 1.85 O ATOM 38 CB LYS A 3 8.432 7.072 -5.672 1.00 2.43 C ATOM 39 CG LYS A 3 7.440 7.580 -4.623 1.00 3.19 C ATOM 40 CD LYS A 3 6.641 8.771 -5.154 1.00 3.71 C ATOM 41 CE LYS A 3 5.319 8.924 -4.402 1.00 5.00 C ATOM 42 NZ LYS A 3 4.640 10.179 -4.795 1.00 5.72 N ATOM 0 H LYS A 3 11.383 6.940 -5.462 1.00 2.57 H new ATOM 0 HA LYS A 3 9.027 5.772 -4.126 1.00 2.09 H new ATOM 0 HB2 LYS A 3 8.922 7.918 -6.154 1.00 2.43 H new ATOM 0 HB3 LYS A 3 7.897 6.528 -6.450 1.00 2.43 H new ATOM 0 HG2 LYS A 3 6.759 6.777 -4.343 1.00 3.19 H new ATOM 0 HG3 LYS A 3 7.977 7.872 -3.721 1.00 3.19 H new ATOM 0 HD2 LYS A 3 7.229 9.683 -5.051 1.00 3.71 H new ATOM 0 HD3 LYS A 3 6.445 8.636 -6.218 1.00 3.71 H new ATOM 0 HE2 LYS A 3 4.673 8.072 -4.614 1.00 5.00 H new ATOM 0 HE3 LYS A 3 5.503 8.924 -3.328 1.00 5.00 H new ATOM 0 HZ1 LYS A 3 3.744 10.267 -4.275 1.00 5.72 H new ATOM 0 HZ2 LYS A 3 5.252 10.990 -4.570 1.00 5.72 H new ATOM 0 HZ3 LYS A 3 4.447 10.164 -5.817 1.00 5.72 H new ATOM 56 N LEU A 4 9.184 3.847 -5.637 1.00 1.05 N ATOM 57 CA LEU A 4 9.434 2.624 -6.381 1.00 0.82 C ATOM 58 C LEU A 4 9.284 2.902 -7.878 1.00 0.80 C ATOM 59 O LEU A 4 8.888 3.999 -8.272 1.00 0.81 O ATOM 60 CB LEU A 4 8.537 1.494 -5.873 1.00 0.87 C ATOM 61 CG LEU A 4 7.061 1.579 -6.269 1.00 0.58 C ATOM 62 CD1 LEU A 4 6.575 3.030 -6.264 1.00 0.71 C ATOM 63 CD2 LEU A 4 6.815 0.897 -7.617 1.00 0.74 C ATOM 0 H LEU A 4 8.465 3.769 -4.918 1.00 1.05 H new ATOM 0 HA LEU A 4 10.457 2.284 -6.221 1.00 0.82 H new ATOM 0 HB2 LEU A 4 8.937 0.548 -6.238 1.00 0.87 H new ATOM 0 HB3 LEU A 4 8.600 1.468 -4.785 1.00 0.87 H new ATOM 0 HG LEU A 4 6.476 1.040 -5.524 1.00 0.58 H new ATOM 0 HD11 LEU A 4 5.523 3.062 -6.549 1.00 0.71 H new ATOM 0 HD12 LEU A 4 6.694 3.450 -5.265 1.00 0.71 H new ATOM 0 HD13 LEU A 4 7.161 3.613 -6.974 1.00 0.71 H new ATOM 0 HD21 LEU A 4 5.759 0.972 -7.875 1.00 0.74 H new ATOM 0 HD22 LEU A 4 7.412 1.386 -8.387 1.00 0.74 H new ATOM 0 HD23 LEU A 4 7.099 -0.153 -7.551 1.00 0.74 H new ATOM 75 N VAL A 5 9.607 1.892 -8.671 1.00 0.81 N ATOM 76 CA VAL A 5 9.513 2.014 -10.116 1.00 0.83 C ATOM 77 C VAL A 5 8.062 2.304 -10.505 1.00 0.68 C ATOM 78 O VAL A 5 7.699 3.453 -10.749 1.00 0.73 O ATOM 79 CB VAL A 5 10.072 0.757 -10.785 1.00 0.92 C ATOM 80 CG1 VAL A 5 9.951 0.846 -12.307 1.00 1.03 C ATOM 81 CG2 VAL A 5 11.523 0.512 -10.365 1.00 1.03 C ATOM 0 H VAL A 5 9.934 0.984 -8.340 1.00 0.81 H new ATOM 0 HA VAL A 5 10.118 2.849 -10.469 1.00 0.83 H new ATOM 0 HB VAL A 5 9.477 -0.093 -10.450 1.00 0.92 H new ATOM 0 HG11 VAL A 5 10.356 -0.060 -12.758 1.00 1.03 H new ATOM 0 HG12 VAL A 5 8.902 0.951 -12.583 1.00 1.03 H new ATOM 0 HG13 VAL A 5 10.509 1.710 -12.666 1.00 1.03 H new ATOM 0 HG21 VAL A 5 11.897 -0.387 -10.854 1.00 1.03 H new ATOM 0 HG22 VAL A 5 12.135 1.365 -10.657 1.00 1.03 H new ATOM 0 HG23 VAL A 5 11.572 0.384 -9.284 1.00 1.03 H new ATOM 91 N SER A 6 7.272 1.241 -10.552 1.00 0.58 N ATOM 92 CA SER A 6 5.869 1.367 -10.908 1.00 0.46 C ATOM 93 C SER A 6 5.013 0.516 -9.969 1.00 0.40 C ATOM 94 O SER A 6 5.451 -0.537 -9.507 1.00 0.45 O ATOM 95 CB SER A 6 5.631 0.956 -12.363 1.00 0.44 C ATOM 96 OG SER A 6 6.755 1.245 -13.190 1.00 0.57 O ATOM 0 H SER A 6 7.577 0.289 -10.349 1.00 0.58 H new ATOM 0 HA SER A 6 5.582 2.413 -10.803 1.00 0.46 H new ATOM 0 HB2 SER A 6 5.413 -0.111 -12.407 1.00 0.44 H new ATOM 0 HB3 SER A 6 4.754 1.477 -12.748 1.00 0.44 H new ATOM 0 HG SER A 6 7.090 0.415 -13.588 1.00 0.57 H new ATOM 102 N SER A 7 3.806 1.002 -9.715 1.00 0.33 N ATOM 103 CA SER A 7 2.885 0.299 -8.840 1.00 0.33 C ATOM 104 C SER A 7 1.445 0.707 -9.158 1.00 0.31 C ATOM 105 O SER A 7 1.217 1.670 -9.888 1.00 0.32 O ATOM 106 CB SER A 7 3.203 0.575 -7.369 1.00 0.41 C ATOM 107 OG SER A 7 3.131 1.965 -7.060 1.00 0.39 O ATOM 0 H SER A 7 3.445 1.875 -10.101 1.00 0.33 H new ATOM 0 HA SER A 7 2.999 -0.771 -9.013 1.00 0.33 H new ATOM 0 HB2 SER A 7 2.504 0.026 -6.738 1.00 0.41 H new ATOM 0 HB3 SER A 7 4.201 0.203 -7.138 1.00 0.41 H new ATOM 0 HG SER A 7 3.339 2.101 -6.112 1.00 0.39 H new ATOM 113 N THR A 8 0.512 -0.045 -8.595 1.00 0.41 N ATOM 114 CA THR A 8 -0.899 0.227 -8.809 1.00 0.48 C ATOM 115 C THR A 8 -1.683 0.035 -7.509 1.00 0.55 C ATOM 116 O THR A 8 -2.624 -0.758 -7.459 1.00 0.66 O ATOM 117 CB THR A 8 -1.385 -0.669 -9.951 1.00 0.60 C ATOM 118 OG1 THR A 8 -0.470 -0.406 -11.011 1.00 0.74 O ATOM 119 CG2 THR A 8 -2.739 -0.224 -10.508 1.00 0.68 C ATOM 0 H THR A 8 0.705 -0.843 -7.990 1.00 0.41 H new ATOM 0 HA THR A 8 -1.062 1.265 -9.099 1.00 0.48 H new ATOM 0 HB THR A 8 -1.458 -1.698 -9.600 1.00 0.60 H new ATOM 0 HG1 THR A 8 -0.710 -0.947 -11.792 1.00 0.74 H new ATOM 0 HG21 THR A 8 -3.038 -0.893 -11.315 1.00 0.68 H new ATOM 0 HG22 THR A 8 -3.487 -0.255 -9.715 1.00 0.68 H new ATOM 0 HG23 THR A 8 -2.658 0.793 -10.891 1.00 0.68 H new ATOM 127 N PRO A 9 -1.256 0.791 -6.463 1.00 0.50 N ATOM 128 CA PRO A 9 -1.908 0.712 -5.167 1.00 0.59 C ATOM 129 C PRO A 9 -3.256 1.435 -5.186 1.00 0.62 C ATOM 130 O PRO A 9 -4.287 0.843 -4.869 1.00 0.90 O ATOM 131 CB PRO A 9 -0.918 1.325 -4.190 1.00 0.56 C ATOM 132 CG PRO A 9 0.047 2.142 -5.034 1.00 0.45 C ATOM 133 CD PRO A 9 -0.146 1.739 -6.486 1.00 0.40 C ATOM 0 HA PRO A 9 -2.149 -0.311 -4.879 1.00 0.59 H new ATOM 0 HB2 PRO A 9 -1.428 1.954 -3.460 1.00 0.56 H new ATOM 0 HB3 PRO A 9 -0.390 0.552 -3.631 1.00 0.56 H new ATOM 0 HG2 PRO A 9 -0.142 3.208 -4.906 1.00 0.45 H new ATOM 0 HG3 PRO A 9 1.075 1.961 -4.721 1.00 0.45 H new ATOM 0 HD2 PRO A 9 -0.376 2.603 -7.110 1.00 0.40 H new ATOM 0 HD3 PRO A 9 0.756 1.283 -6.894 1.00 0.40 H new ATOM 141 N ALA A 10 -3.205 2.705 -5.559 1.00 0.44 N ATOM 142 CA ALA A 10 -4.409 3.516 -5.623 1.00 0.47 C ATOM 143 C ALA A 10 -4.019 4.993 -5.716 1.00 0.41 C ATOM 144 O ALA A 10 -4.606 5.836 -5.040 1.00 0.41 O ATOM 145 CB ALA A 10 -5.288 3.219 -4.407 1.00 0.54 C ATOM 0 H ALA A 10 -2.348 3.193 -5.820 1.00 0.44 H new ATOM 0 HA ALA A 10 -4.990 3.273 -6.512 1.00 0.47 H new ATOM 0 HB1 ALA A 10 -6.192 3.827 -4.454 1.00 0.54 H new ATOM 0 HB2 ALA A 10 -5.560 2.164 -4.404 1.00 0.54 H new ATOM 0 HB3 ALA A 10 -4.739 3.455 -3.495 1.00 0.54 H new ATOM 151 N GLU A 11 -3.033 5.260 -6.559 1.00 0.46 N ATOM 152 CA GLU A 11 -2.559 6.620 -6.747 1.00 0.55 C ATOM 153 C GLU A 11 -3.741 7.589 -6.821 1.00 0.62 C ATOM 154 O GLU A 11 -4.425 7.663 -7.840 1.00 0.71 O ATOM 155 CB GLU A 11 -1.685 6.726 -7.998 1.00 0.70 C ATOM 156 CG GLU A 11 -0.199 6.740 -7.630 1.00 0.83 C ATOM 157 CD GLU A 11 0.629 5.973 -8.662 1.00 1.45 C ATOM 158 OE1 GLU A 11 0.670 4.696 -8.488 1.00 2.66 O ATOM 159 OE2 GLU A 11 1.199 6.584 -9.578 1.00 2.03 O ATOM 0 H GLU A 11 -2.550 4.558 -7.119 1.00 0.46 H new ATOM 0 HA GLU A 11 -1.945 6.892 -5.889 1.00 0.55 H new ATOM 0 HB2 GLU A 11 -1.891 5.886 -8.662 1.00 0.70 H new ATOM 0 HB3 GLU A 11 -1.936 7.634 -8.546 1.00 0.70 H new ATOM 0 HG2 GLU A 11 0.154 7.769 -7.568 1.00 0.83 H new ATOM 0 HG3 GLU A 11 -0.061 6.295 -6.644 1.00 0.83 H new ATOM 166 N GLY A 12 -3.945 8.307 -5.726 1.00 0.60 N ATOM 167 CA GLY A 12 -5.032 9.269 -5.654 1.00 0.67 C ATOM 168 C GLY A 12 -6.307 8.702 -6.283 1.00 0.73 C ATOM 169 O GLY A 12 -7.084 9.438 -6.890 1.00 0.89 O ATOM 0 H GLY A 12 -3.376 8.242 -4.882 1.00 0.60 H new ATOM 0 HA2 GLY A 12 -5.221 9.532 -4.613 1.00 0.67 H new ATOM 0 HA3 GLY A 12 -4.745 10.187 -6.168 1.00 0.67 H new ATOM 173 N SER A 13 -6.484 7.400 -6.114 1.00 0.70 N ATOM 174 CA SER A 13 -7.650 6.726 -6.657 1.00 0.81 C ATOM 175 C SER A 13 -8.906 7.163 -5.901 1.00 0.69 C ATOM 176 O SER A 13 -9.200 6.643 -4.825 1.00 0.63 O ATOM 177 CB SER A 13 -7.492 5.206 -6.588 1.00 0.94 C ATOM 178 OG SER A 13 -6.984 4.667 -7.806 1.00 1.43 O ATOM 0 H SER A 13 -5.838 6.794 -5.608 1.00 0.70 H new ATOM 0 HA SER A 13 -7.748 7.006 -7.706 1.00 0.81 H new ATOM 0 HB2 SER A 13 -6.820 4.948 -5.769 1.00 0.94 H new ATOM 0 HB3 SER A 13 -8.457 4.751 -6.364 1.00 0.94 H new ATOM 0 HG SER A 13 -6.896 3.695 -7.722 1.00 1.43 H new ATOM 184 N GLU A 14 -9.613 8.115 -6.491 1.00 0.73 N ATOM 185 CA GLU A 14 -10.831 8.628 -5.886 1.00 0.74 C ATOM 186 C GLU A 14 -12.053 8.184 -6.692 1.00 0.80 C ATOM 187 O GLU A 14 -12.164 8.493 -7.877 1.00 0.86 O ATOM 188 CB GLU A 14 -10.781 10.152 -5.761 1.00 0.86 C ATOM 189 CG GLU A 14 -9.478 10.606 -5.102 1.00 0.91 C ATOM 190 CD GLU A 14 -9.192 12.078 -5.406 1.00 1.12 C ATOM 191 OE1 GLU A 14 -10.089 12.924 -5.272 1.00 1.24 O ATOM 192 OE2 GLU A 14 -7.988 12.330 -5.794 1.00 1.92 O ATOM 0 H GLU A 14 -9.366 8.545 -7.382 1.00 0.73 H new ATOM 0 HA GLU A 14 -10.915 8.216 -4.880 1.00 0.74 H new ATOM 0 HB2 GLU A 14 -10.870 10.604 -6.749 1.00 0.86 H new ATOM 0 HB3 GLU A 14 -11.630 10.500 -5.173 1.00 0.86 H new ATOM 0 HG2 GLU A 14 -9.542 10.460 -4.024 1.00 0.91 H new ATOM 0 HG3 GLU A 14 -8.652 9.990 -5.459 1.00 0.91 H new ATOM 199 N GLY A 15 -12.939 7.466 -6.018 1.00 0.85 N ATOM 200 CA GLY A 15 -14.148 6.976 -6.657 1.00 0.99 C ATOM 201 C GLY A 15 -14.586 5.641 -6.051 1.00 0.96 C ATOM 202 O GLY A 15 -15.776 5.406 -5.852 1.00 1.19 O ATOM 0 H GLY A 15 -12.843 7.212 -5.035 1.00 0.85 H new ATOM 0 HA2 GLY A 15 -14.946 7.710 -6.544 1.00 0.99 H new ATOM 0 HA3 GLY A 15 -13.975 6.855 -7.726 1.00 0.99 H new ATOM 206 N ALA A 16 -13.599 4.800 -5.776 1.00 0.98 N ATOM 207 CA ALA A 16 -13.867 3.495 -5.197 1.00 1.20 C ATOM 208 C ALA A 16 -12.541 2.787 -4.910 1.00 1.46 C ATOM 209 O ALA A 16 -11.556 2.996 -5.616 1.00 2.04 O ATOM 210 CB ALA A 16 -14.762 2.692 -6.143 1.00 1.52 C ATOM 0 H ALA A 16 -12.612 4.998 -5.944 1.00 0.98 H new ATOM 0 HA ALA A 16 -14.399 3.597 -4.251 1.00 1.20 H new ATOM 0 HB1 ALA A 16 -14.964 1.713 -5.709 1.00 1.52 H new ATOM 0 HB2 ALA A 16 -15.702 3.223 -6.293 1.00 1.52 H new ATOM 0 HB3 ALA A 16 -14.259 2.568 -7.102 1.00 1.52 H new ATOM 216 N ALA A 17 -12.560 1.965 -3.871 1.00 1.23 N ATOM 217 CA ALA A 17 -11.371 1.225 -3.481 1.00 1.52 C ATOM 218 C ALA A 17 -11.112 0.112 -4.498 1.00 1.33 C ATOM 219 O ALA A 17 -12.039 -0.581 -4.915 1.00 1.27 O ATOM 220 CB ALA A 17 -11.547 0.688 -2.060 1.00 1.92 C ATOM 0 H ALA A 17 -13.379 1.795 -3.287 1.00 1.23 H new ATOM 0 HA ALA A 17 -10.497 1.877 -3.477 1.00 1.52 H new ATOM 0 HB1 ALA A 17 -10.655 0.133 -1.768 1.00 1.92 H new ATOM 0 HB2 ALA A 17 -11.698 1.520 -1.373 1.00 1.92 H new ATOM 0 HB3 ALA A 17 -12.413 0.027 -2.025 1.00 1.92 H new ATOM 226 N PRO A 18 -9.814 -0.030 -4.877 1.00 1.34 N ATOM 227 CA PRO A 18 -9.421 -1.047 -5.838 1.00 1.25 C ATOM 228 C PRO A 18 -9.421 -2.436 -5.195 1.00 1.21 C ATOM 229 O PRO A 18 -9.357 -2.559 -3.972 1.00 1.59 O ATOM 230 CB PRO A 18 -8.047 -0.618 -6.326 1.00 1.38 C ATOM 231 CG PRO A 18 -7.523 0.360 -5.288 1.00 1.56 C ATOM 232 CD PRO A 18 -8.690 0.772 -4.404 1.00 1.55 C ATOM 0 HA PRO A 18 -10.117 -1.129 -6.673 1.00 1.25 H new ATOM 0 HB2 PRO A 18 -7.382 -1.476 -6.425 1.00 1.38 H new ATOM 0 HB3 PRO A 18 -8.110 -0.149 -7.308 1.00 1.38 H new ATOM 0 HG2 PRO A 18 -6.737 -0.102 -4.691 1.00 1.56 H new ATOM 0 HG3 PRO A 18 -7.085 1.232 -5.773 1.00 1.56 H new ATOM 0 HD2 PRO A 18 -8.479 0.577 -3.353 1.00 1.55 H new ATOM 0 HD3 PRO A 18 -8.898 1.838 -4.494 1.00 1.55 H new ATOM 240 N ALA A 19 -9.493 -3.448 -6.047 1.00 1.09 N ATOM 241 CA ALA A 19 -9.502 -4.822 -5.578 1.00 1.14 C ATOM 242 C ALA A 19 -8.339 -5.033 -4.608 1.00 1.01 C ATOM 243 O ALA A 19 -8.548 -5.400 -3.452 1.00 0.95 O ATOM 244 CB ALA A 19 -9.440 -5.771 -6.777 1.00 1.47 C ATOM 0 H ALA A 19 -9.546 -3.343 -7.060 1.00 1.09 H new ATOM 0 HA ALA A 19 -10.424 -5.037 -5.039 1.00 1.14 H new ATOM 0 HB1 ALA A 19 -9.447 -6.803 -6.425 1.00 1.47 H new ATOM 0 HB2 ALA A 19 -10.303 -5.601 -7.420 1.00 1.47 H new ATOM 0 HB3 ALA A 19 -8.526 -5.586 -7.341 1.00 1.47 H new ATOM 250 N LYS A 20 -7.138 -4.793 -5.113 1.00 1.06 N ATOM 251 CA LYS A 20 -5.940 -4.952 -4.305 1.00 1.04 C ATOM 252 C LYS A 20 -4.862 -3.987 -4.804 1.00 0.98 C ATOM 253 O LYS A 20 -4.940 -3.489 -5.925 1.00 1.00 O ATOM 254 CB LYS A 20 -5.496 -6.416 -4.287 1.00 1.31 C ATOM 255 CG LYS A 20 -5.397 -6.975 -5.708 1.00 1.39 C ATOM 256 CD LYS A 20 -5.560 -8.496 -5.710 1.00 2.32 C ATOM 257 CE LYS A 20 -6.026 -8.996 -7.079 1.00 2.36 C ATOM 258 NZ LYS A 20 -4.954 -9.774 -7.740 1.00 3.39 N ATOM 0 H LYS A 20 -6.968 -4.490 -6.072 1.00 1.06 H new ATOM 0 HA LYS A 20 -6.144 -4.693 -3.266 1.00 1.04 H new ATOM 0 HB2 LYS A 20 -4.529 -6.501 -3.791 1.00 1.31 H new ATOM 0 HB3 LYS A 20 -6.205 -7.008 -3.708 1.00 1.31 H new ATOM 0 HG2 LYS A 20 -6.165 -6.522 -6.335 1.00 1.39 H new ATOM 0 HG3 LYS A 20 -4.433 -6.708 -6.142 1.00 1.39 H new ATOM 0 HD2 LYS A 20 -4.612 -8.967 -5.450 1.00 2.32 H new ATOM 0 HD3 LYS A 20 -6.281 -8.789 -4.947 1.00 2.32 H new ATOM 0 HE2 LYS A 20 -6.915 -9.616 -6.963 1.00 2.36 H new ATOM 0 HE3 LYS A 20 -6.308 -8.149 -7.705 1.00 2.36 H new ATOM 0 HZ1 LYS A 20 -5.287 -10.106 -8.668 1.00 3.39 H new ATOM 0 HZ2 LYS A 20 -4.116 -9.171 -7.868 1.00 3.39 H new ATOM 0 HZ3 LYS A 20 -4.704 -10.593 -7.149 1.00 3.39 H new ATOM 272 N ILE A 21 -3.879 -3.754 -3.946 1.00 0.95 N ATOM 273 CA ILE A 21 -2.787 -2.859 -4.285 1.00 0.90 C ATOM 274 C ILE A 21 -1.716 -3.636 -5.053 1.00 0.90 C ATOM 275 O ILE A 21 -1.407 -4.777 -4.711 1.00 0.98 O ATOM 276 CB ILE A 21 -2.258 -2.158 -3.031 1.00 0.89 C ATOM 277 CG1 ILE A 21 -3.065 -0.893 -2.729 1.00 0.86 C ATOM 278 CG2 ILE A 21 -0.761 -1.868 -3.155 1.00 0.85 C ATOM 279 CD1 ILE A 21 -3.680 -0.958 -1.329 1.00 1.07 C ATOM 0 H ILE A 21 -3.817 -4.170 -3.017 1.00 0.95 H new ATOM 0 HA ILE A 21 -3.137 -2.063 -4.942 1.00 0.90 H new ATOM 0 HB ILE A 21 -2.386 -2.831 -2.183 1.00 0.89 H new ATOM 0 HG12 ILE A 21 -2.420 -0.018 -2.807 1.00 0.86 H new ATOM 0 HG13 ILE A 21 -3.854 -0.774 -3.472 1.00 0.86 H new ATOM 0 HG21 ILE A 21 -0.411 -1.370 -2.251 1.00 0.85 H new ATOM 0 HG22 ILE A 21 -0.219 -2.804 -3.287 1.00 0.85 H new ATOM 0 HG23 ILE A 21 -0.585 -1.223 -4.016 1.00 0.85 H new ATOM 0 HD11 ILE A 21 -4.248 -0.048 -1.139 1.00 1.07 H new ATOM 0 HD12 ILE A 21 -4.343 -1.820 -1.263 1.00 1.07 H new ATOM 0 HD13 ILE A 21 -2.887 -1.052 -0.587 1.00 1.07 H new ATOM 291 N GLU A 22 -1.178 -2.987 -6.076 1.00 0.82 N ATOM 292 CA GLU A 22 -0.149 -3.604 -6.894 1.00 0.82 C ATOM 293 C GLU A 22 1.166 -2.831 -6.765 1.00 0.71 C ATOM 294 O GLU A 22 1.159 -1.627 -6.512 1.00 0.63 O ATOM 295 CB GLU A 22 -0.591 -3.694 -8.356 1.00 0.81 C ATOM 296 CG GLU A 22 -0.417 -5.115 -8.896 1.00 0.99 C ATOM 297 CD GLU A 22 -0.675 -5.164 -10.403 1.00 0.94 C ATOM 298 OE1 GLU A 22 -0.070 -4.392 -11.161 1.00 1.56 O ATOM 299 OE2 GLU A 22 -1.538 -6.046 -10.779 1.00 1.71 O ATOM 0 H GLU A 22 -1.436 -2.041 -6.356 1.00 0.82 H new ATOM 0 HA GLU A 22 0.013 -4.620 -6.535 1.00 0.82 H new ATOM 0 HB2 GLU A 22 -1.635 -3.394 -8.443 1.00 0.81 H new ATOM 0 HB3 GLU A 22 -0.008 -2.998 -8.959 1.00 0.81 H new ATOM 0 HG2 GLU A 22 0.593 -5.467 -8.685 1.00 0.99 H new ATOM 0 HG3 GLU A 22 -1.103 -5.789 -8.384 1.00 0.99 H new ATOM 306 N LEU A 23 2.261 -3.555 -6.945 1.00 0.74 N ATOM 307 CA LEU A 23 3.579 -2.952 -6.852 1.00 0.70 C ATOM 308 C LEU A 23 4.531 -3.666 -7.814 1.00 0.71 C ATOM 309 O LEU A 23 4.436 -4.878 -8.001 1.00 0.78 O ATOM 310 CB LEU A 23 4.064 -2.943 -5.401 1.00 0.83 C ATOM 311 CG LEU A 23 3.188 -2.178 -4.406 1.00 0.90 C ATOM 312 CD1 LEU A 23 3.381 -2.709 -2.985 1.00 1.02 C ATOM 313 CD2 LEU A 23 3.443 -0.672 -4.496 1.00 0.89 C ATOM 0 H LEU A 23 2.262 -4.553 -7.155 1.00 0.74 H new ATOM 0 HA LEU A 23 3.541 -1.906 -7.157 1.00 0.70 H new ATOM 0 HB2 LEU A 23 4.150 -3.975 -5.061 1.00 0.83 H new ATOM 0 HB3 LEU A 23 5.066 -2.515 -5.376 1.00 0.83 H new ATOM 0 HG LEU A 23 2.144 -2.344 -4.672 1.00 0.90 H new ATOM 0 HD11 LEU A 23 2.747 -2.148 -2.298 1.00 1.02 H new ATOM 0 HD12 LEU A 23 3.109 -3.764 -2.951 1.00 1.02 H new ATOM 0 HD13 LEU A 23 4.425 -2.594 -2.692 1.00 1.02 H new ATOM 0 HD21 LEU A 23 2.808 -0.152 -3.779 1.00 0.89 H new ATOM 0 HD22 LEU A 23 4.489 -0.466 -4.270 1.00 0.89 H new ATOM 0 HD23 LEU A 23 3.214 -0.324 -5.503 1.00 0.89 H new ATOM 325 N HIS A 24 5.428 -2.885 -8.399 1.00 0.65 N ATOM 326 CA HIS A 24 6.396 -3.427 -9.336 1.00 0.67 C ATOM 327 C HIS A 24 7.769 -2.805 -9.075 1.00 0.75 C ATOM 328 O HIS A 24 7.864 -1.730 -8.485 1.00 0.73 O ATOM 329 CB HIS A 24 5.922 -3.235 -10.779 1.00 0.54 C ATOM 330 CG HIS A 24 4.918 -4.264 -11.239 1.00 0.57 C ATOM 331 ND1 HIS A 24 5.274 -5.387 -11.966 1.00 0.70 N ATOM 332 CD2 HIS A 24 3.566 -4.330 -11.065 1.00 0.73 C ATOM 333 CE1 HIS A 24 4.178 -6.088 -12.215 1.00 0.71 C ATOM 334 NE2 HIS A 24 3.121 -5.432 -11.656 1.00 0.78 N ATOM 0 H HIS A 24 5.504 -1.880 -8.241 1.00 0.65 H new ATOM 0 HA HIS A 24 6.489 -4.503 -9.185 1.00 0.67 H new ATOM 0 HB2 HIS A 24 5.480 -2.243 -10.876 1.00 0.54 H new ATOM 0 HB3 HIS A 24 6.787 -3.265 -11.442 1.00 0.54 H new ATOM 0 HD2 HIS A 24 2.961 -3.608 -10.536 1.00 0.73 H new ATOM 0 HE1 HIS A 24 4.130 -7.017 -12.765 1.00 0.71 H new ATOM 0 HE2 HIS A 24 2.148 -5.738 -11.687 1.00 0.78 H new ATOM 342 N PHE A 25 8.797 -3.508 -9.526 1.00 0.91 N ATOM 343 CA PHE A 25 10.160 -3.037 -9.348 1.00 1.05 C ATOM 344 C PHE A 25 11.086 -3.621 -10.418 1.00 1.17 C ATOM 345 O PHE A 25 11.274 -4.835 -10.486 1.00 1.32 O ATOM 346 CB PHE A 25 10.624 -3.519 -7.972 1.00 1.20 C ATOM 347 CG PHE A 25 9.975 -2.776 -6.803 1.00 1.10 C ATOM 348 CD1 PHE A 25 8.705 -3.079 -6.424 1.00 1.51 C ATOM 349 CD2 PHE A 25 10.670 -1.812 -6.139 1.00 2.39 C ATOM 350 CE1 PHE A 25 8.103 -2.390 -5.338 1.00 1.69 C ATOM 351 CE2 PHE A 25 10.068 -1.123 -5.054 1.00 2.35 C ATOM 352 CZ PHE A 25 8.797 -1.427 -4.676 1.00 1.24 C ATOM 0 H PHE A 25 8.714 -4.400 -10.014 1.00 0.91 H new ATOM 0 HA PHE A 25 10.192 -1.951 -9.431 1.00 1.05 H new ATOM 0 HB2 PHE A 25 10.407 -4.583 -7.879 1.00 1.20 H new ATOM 0 HB3 PHE A 25 11.706 -3.407 -7.905 1.00 1.20 H new ATOM 0 HD1 PHE A 25 8.153 -3.845 -6.949 1.00 1.51 H new ATOM 0 HD2 PHE A 25 11.680 -1.571 -6.438 1.00 2.39 H new ATOM 0 HE1 PHE A 25 7.094 -2.631 -5.038 1.00 1.69 H new ATOM 0 HE2 PHE A 25 10.619 -0.357 -4.528 1.00 2.35 H new ATOM 0 HZ PHE A 25 8.339 -0.903 -3.850 1.00 1.24 H new ATOM 362 N SER A 26 11.639 -2.730 -11.226 1.00 1.24 N ATOM 363 CA SER A 26 12.540 -3.141 -12.290 1.00 1.38 C ATOM 364 C SER A 26 13.854 -3.651 -11.694 1.00 1.46 C ATOM 365 O SER A 26 14.710 -4.162 -12.414 1.00 1.63 O ATOM 366 CB SER A 26 12.809 -1.989 -13.260 1.00 1.56 C ATOM 367 OG SER A 26 12.319 -2.267 -14.568 1.00 1.99 O ATOM 0 H SER A 26 11.481 -1.724 -11.166 1.00 1.24 H new ATOM 0 HA SER A 26 12.064 -3.947 -12.849 1.00 1.38 H new ATOM 0 HB2 SER A 26 12.340 -1.080 -12.883 1.00 1.56 H new ATOM 0 HB3 SER A 26 13.881 -1.798 -13.308 1.00 1.56 H new ATOM 0 HG SER A 26 12.509 -1.507 -15.157 1.00 1.99 H new ATOM 373 N GLU A 27 13.973 -3.495 -10.383 1.00 1.41 N ATOM 374 CA GLU A 27 15.167 -3.933 -9.683 1.00 1.62 C ATOM 375 C GLU A 27 14.793 -4.572 -8.344 1.00 1.50 C ATOM 376 O GLU A 27 15.009 -3.981 -7.287 1.00 2.02 O ATOM 377 CB GLU A 27 16.143 -2.772 -9.481 1.00 1.99 C ATOM 378 CG GLU A 27 15.512 -1.666 -8.634 1.00 3.41 C ATOM 379 CD GLU A 27 16.058 -0.291 -9.028 1.00 4.39 C ATOM 380 OE1 GLU A 27 15.596 0.225 -10.068 1.00 5.21 O ATOM 381 OE2 GLU A 27 16.925 0.210 -8.281 1.00 4.93 O ATOM 0 H GLU A 27 13.261 -3.071 -9.788 1.00 1.41 H new ATOM 0 HA GLU A 27 15.668 -4.683 -10.295 1.00 1.62 H new ATOM 0 HB2 GLU A 27 17.049 -3.134 -8.996 1.00 1.99 H new ATOM 0 HB3 GLU A 27 16.440 -2.369 -10.449 1.00 1.99 H new ATOM 0 HG2 GLU A 27 14.429 -1.680 -8.759 1.00 3.41 H new ATOM 0 HG3 GLU A 27 15.713 -1.852 -7.579 1.00 3.41 H new ATOM 388 N ASN A 28 14.239 -5.772 -8.432 1.00 1.74 N ATOM 389 CA ASN A 28 13.833 -6.498 -7.241 1.00 1.95 C ATOM 390 C ASN A 28 13.947 -8.001 -7.502 1.00 2.77 C ATOM 391 O ASN A 28 13.956 -8.437 -8.652 1.00 4.78 O ATOM 392 CB ASN A 28 12.379 -6.191 -6.877 1.00 2.99 C ATOM 393 CG ASN A 28 12.098 -6.522 -5.411 1.00 3.19 C ATOM 394 OD1 ASN A 28 11.946 -7.820 -5.169 1.00 4.03 O flip ATOM 395 ND2 ASN A 28 12.026 -5.655 -4.554 1.00 2.68 N flip ATOM 0 H ASN A 28 14.062 -6.260 -9.310 1.00 1.74 H new ATOM 0 HA ASN A 28 14.483 -6.191 -6.421 1.00 1.95 H new ATOM 0 HB2 ASN A 28 12.169 -5.138 -7.062 1.00 2.99 H new ATOM 0 HB3 ASN A 28 11.711 -6.767 -7.518 1.00 2.99 H new ATOM 0 HD21 ASN A 28 12.153 -4.675 -4.808 1.00 2.68 H new ATOM 0 HD22 ASN A 28 11.839 -5.911 -3.584 1.00 2.68 H new ATOM 402 N LEU A 29 14.030 -8.754 -6.414 1.00 2.19 N ATOM 403 CA LEU A 29 14.143 -10.199 -6.510 1.00 3.62 C ATOM 404 C LEU A 29 14.092 -10.805 -5.107 1.00 3.51 C ATOM 405 O LEU A 29 15.001 -11.533 -4.707 1.00 4.46 O ATOM 406 CB LEU A 29 15.394 -10.587 -7.303 1.00 5.02 C ATOM 407 CG LEU A 29 15.385 -11.984 -7.927 1.00 6.97 C ATOM 408 CD1 LEU A 29 15.024 -13.047 -6.888 1.00 7.18 C ATOM 409 CD2 LEU A 29 14.460 -12.035 -9.144 1.00 8.02 C ATOM 0 H LEU A 29 14.021 -8.390 -5.461 1.00 2.19 H new ATOM 0 HA LEU A 29 13.301 -10.611 -7.066 1.00 3.62 H new ATOM 0 HB2 LEU A 29 15.537 -9.856 -8.099 1.00 5.02 H new ATOM 0 HB3 LEU A 29 16.257 -10.511 -6.642 1.00 5.02 H new ATOM 0 HG LEU A 29 16.392 -12.207 -8.279 1.00 6.97 H new ATOM 0 HD11 LEU A 29 15.025 -14.030 -7.358 1.00 7.18 H new ATOM 0 HD12 LEU A 29 15.756 -13.030 -6.081 1.00 7.18 H new ATOM 0 HD13 LEU A 29 14.033 -12.839 -6.484 1.00 7.18 H new ATOM 0 HD21 LEU A 29 14.472 -13.039 -9.568 1.00 8.02 H new ATOM 0 HD22 LEU A 29 13.444 -11.782 -8.840 1.00 8.02 H new ATOM 0 HD23 LEU A 29 14.803 -11.321 -9.892 1.00 8.02 H new ATOM 421 N VAL A 30 13.021 -10.484 -4.396 1.00 2.83 N ATOM 422 CA VAL A 30 12.840 -10.987 -3.046 1.00 2.92 C ATOM 423 C VAL A 30 11.358 -11.288 -2.812 1.00 3.72 C ATOM 424 O VAL A 30 10.964 -12.450 -2.727 1.00 5.31 O ATOM 425 CB VAL A 30 13.414 -9.992 -2.035 1.00 2.69 C ATOM 426 CG1 VAL A 30 13.200 -10.481 -0.601 1.00 3.04 C ATOM 427 CG2 VAL A 30 14.897 -9.727 -2.307 1.00 3.70 C ATOM 0 H VAL A 30 12.269 -9.881 -4.730 1.00 2.83 H new ATOM 0 HA VAL A 30 13.387 -11.920 -2.910 1.00 2.92 H new ATOM 0 HB VAL A 30 12.878 -9.050 -2.152 1.00 2.69 H new ATOM 0 HG11 VAL A 30 13.617 -9.755 0.097 1.00 3.04 H new ATOM 0 HG12 VAL A 30 12.133 -10.595 -0.411 1.00 3.04 H new ATOM 0 HG13 VAL A 30 13.697 -11.442 -0.466 1.00 3.04 H new ATOM 0 HG21 VAL A 30 15.280 -9.017 -1.574 1.00 3.70 H new ATOM 0 HG22 VAL A 30 15.453 -10.661 -2.232 1.00 3.70 H new ATOM 0 HG23 VAL A 30 15.015 -9.314 -3.309 1.00 3.70 H new ATOM 437 N THR A 31 10.579 -10.222 -2.715 1.00 3.88 N ATOM 438 CA THR A 31 9.149 -10.357 -2.494 1.00 5.29 C ATOM 439 C THR A 31 8.858 -10.560 -1.006 1.00 5.69 C ATOM 440 O THR A 31 7.760 -10.974 -0.636 1.00 7.06 O ATOM 441 CB THR A 31 8.641 -11.501 -3.374 1.00 6.11 C ATOM 442 OG1 THR A 31 7.334 -11.087 -3.761 1.00 7.64 O ATOM 443 CG2 THR A 31 8.405 -12.789 -2.582 1.00 6.37 C ATOM 0 H THR A 31 10.911 -9.260 -2.785 1.00 3.88 H new ATOM 0 HA THR A 31 8.617 -9.449 -2.777 1.00 5.29 H new ATOM 0 HB THR A 31 9.359 -11.692 -4.171 1.00 6.11 H new ATOM 0 HG1 THR A 31 6.818 -10.847 -2.964 1.00 7.64 H new ATOM 0 HG21 THR A 31 8.045 -13.568 -3.254 1.00 6.37 H new ATOM 0 HG22 THR A 31 9.340 -13.110 -2.122 1.00 6.37 H new ATOM 0 HG23 THR A 31 7.662 -12.608 -1.806 1.00 6.37 H new ATOM 451 N GLN A 32 9.858 -10.259 -0.193 1.00 4.79 N ATOM 452 CA GLN A 32 9.723 -10.402 1.247 1.00 5.37 C ATOM 453 C GLN A 32 10.574 -9.355 1.968 1.00 4.25 C ATOM 454 O GLN A 32 10.926 -8.330 1.386 1.00 5.03 O ATOM 455 CB GLN A 32 10.099 -11.817 1.694 1.00 6.58 C ATOM 456 CG GLN A 32 9.042 -12.392 2.638 1.00 8.43 C ATOM 457 CD GLN A 32 8.020 -13.234 1.868 1.00 9.67 C ATOM 458 OE1 GLN A 32 7.078 -12.729 1.281 1.00 10.82 O ATOM 459 NE2 GLN A 32 8.260 -14.542 1.904 1.00 9.65 N ATOM 0 H GLN A 32 10.767 -9.916 -0.504 1.00 4.79 H new ATOM 0 HA GLN A 32 8.679 -10.237 1.512 1.00 5.37 H new ATOM 0 HB2 GLN A 32 10.203 -12.462 0.822 1.00 6.58 H new ATOM 0 HB3 GLN A 32 11.067 -11.799 2.194 1.00 6.58 H new ATOM 0 HG2 GLN A 32 9.524 -13.005 3.400 1.00 8.43 H new ATOM 0 HG3 GLN A 32 8.533 -11.580 3.157 1.00 8.43 H new ATOM 0 HE21 GLN A 32 9.068 -14.898 2.415 1.00 9.65 H new ATOM 0 HE22 GLN A 32 7.636 -15.188 1.421 1.00 9.65 H new ATOM 468 N PHE A 33 10.878 -9.648 3.224 1.00 3.62 N ATOM 469 CA PHE A 33 11.679 -8.744 4.030 1.00 3.12 C ATOM 470 C PHE A 33 11.086 -7.334 4.028 1.00 2.28 C ATOM 471 O PHE A 33 11.775 -6.365 4.344 1.00 2.68 O ATOM 472 CB PHE A 33 13.072 -8.698 3.398 1.00 4.54 C ATOM 473 CG PHE A 33 13.961 -9.889 3.762 1.00 5.47 C ATOM 474 CD1 PHE A 33 14.584 -9.929 4.971 1.00 5.19 C ATOM 475 CD2 PHE A 33 14.127 -10.909 2.879 1.00 6.92 C ATOM 476 CE1 PHE A 33 15.407 -11.035 5.309 1.00 6.05 C ATOM 477 CE2 PHE A 33 14.951 -12.014 3.216 1.00 7.80 C ATOM 478 CZ PHE A 33 15.574 -12.054 4.425 1.00 7.21 C ATOM 0 H PHE A 33 10.584 -10.499 3.703 1.00 3.62 H new ATOM 0 HA PHE A 33 11.710 -9.094 5.062 1.00 3.12 H new ATOM 0 HB2 PHE A 33 12.967 -8.655 2.314 1.00 4.54 H new ATOM 0 HB3 PHE A 33 13.570 -7.779 3.707 1.00 4.54 H new ATOM 0 HD1 PHE A 33 14.452 -9.119 5.673 1.00 5.19 H new ATOM 0 HD2 PHE A 33 13.631 -10.878 1.920 1.00 6.92 H new ATOM 0 HE1 PHE A 33 15.901 -11.067 6.269 1.00 6.05 H new ATOM 0 HE2 PHE A 33 15.084 -12.823 2.513 1.00 7.80 H new ATOM 0 HZ PHE A 33 16.201 -12.895 4.682 1.00 7.21 H new ATOM 488 N SER A 34 9.812 -7.263 3.668 1.00 1.71 N ATOM 489 CA SER A 34 9.117 -5.988 3.622 1.00 1.35 C ATOM 490 C SER A 34 7.619 -6.200 3.849 1.00 1.20 C ATOM 491 O SER A 34 7.158 -7.336 3.949 1.00 1.34 O ATOM 492 CB SER A 34 9.357 -5.279 2.287 1.00 1.22 C ATOM 493 OG SER A 34 9.124 -6.140 1.176 1.00 1.40 O ATOM 0 H SER A 34 9.244 -8.068 3.406 1.00 1.71 H new ATOM 0 HA SER A 34 9.512 -5.354 4.416 1.00 1.35 H new ATOM 0 HB2 SER A 34 8.703 -4.410 2.215 1.00 1.22 H new ATOM 0 HB3 SER A 34 10.382 -4.910 2.251 1.00 1.22 H new ATOM 0 HG SER A 34 9.776 -6.871 1.187 1.00 1.40 H new ATOM 499 N GLY A 35 6.901 -5.089 3.924 1.00 1.21 N ATOM 500 CA GLY A 35 5.465 -5.139 4.138 1.00 1.18 C ATOM 501 C GLY A 35 4.851 -3.739 4.063 1.00 1.19 C ATOM 502 O GLY A 35 5.560 -2.740 4.165 1.00 1.71 O ATOM 0 H GLY A 35 7.287 -4.149 3.840 1.00 1.21 H new ATOM 0 HA2 GLY A 35 5.004 -5.783 3.389 1.00 1.18 H new ATOM 0 HA3 GLY A 35 5.254 -5.581 5.112 1.00 1.18 H new ATOM 506 N ALA A 36 3.538 -3.712 3.885 1.00 0.76 N ATOM 507 CA ALA A 36 2.820 -2.452 3.795 1.00 0.79 C ATOM 508 C ALA A 36 1.753 -2.400 4.889 1.00 0.85 C ATOM 509 O ALA A 36 1.552 -3.373 5.613 1.00 1.02 O ATOM 510 CB ALA A 36 2.227 -2.301 2.393 1.00 0.91 C ATOM 0 H ALA A 36 2.953 -4.543 3.801 1.00 0.76 H new ATOM 0 HA ALA A 36 3.496 -1.612 3.954 1.00 0.79 H new ATOM 0 HB1 ALA A 36 1.688 -1.356 2.326 1.00 0.91 H new ATOM 0 HB2 ALA A 36 3.029 -2.315 1.655 1.00 0.91 H new ATOM 0 HB3 ALA A 36 1.540 -3.125 2.198 1.00 0.91 H new ATOM 516 N LYS A 37 1.095 -1.253 4.975 1.00 0.76 N ATOM 517 CA LYS A 37 0.052 -1.060 5.969 1.00 0.86 C ATOM 518 C LYS A 37 -0.917 0.019 5.482 1.00 0.76 C ATOM 519 O LYS A 37 -0.497 1.112 5.104 1.00 0.65 O ATOM 520 CB LYS A 37 0.666 -0.762 7.338 1.00 0.99 C ATOM 521 CG LYS A 37 0.474 -1.942 8.293 1.00 1.33 C ATOM 522 CD LYS A 37 1.067 -1.635 9.670 1.00 1.88 C ATOM 523 CE LYS A 37 2.197 -2.609 10.010 1.00 2.27 C ATOM 524 NZ LYS A 37 1.647 -3.923 10.407 1.00 2.22 N ATOM 0 H LYS A 37 1.264 -0.448 4.372 1.00 0.76 H new ATOM 0 HA LYS A 37 -0.527 -1.975 6.097 1.00 0.86 H new ATOM 0 HB2 LYS A 37 1.729 -0.550 7.225 1.00 0.99 H new ATOM 0 HB3 LYS A 37 0.206 0.131 7.760 1.00 0.99 H new ATOM 0 HG2 LYS A 37 -0.588 -2.165 8.392 1.00 1.33 H new ATOM 0 HG3 LYS A 37 0.949 -2.831 7.878 1.00 1.33 H new ATOM 0 HD2 LYS A 37 1.446 -0.613 9.687 1.00 1.88 H new ATOM 0 HD3 LYS A 37 0.287 -1.699 10.428 1.00 1.88 H new ATOM 0 HE2 LYS A 37 2.854 -2.728 9.148 1.00 2.27 H new ATOM 0 HE3 LYS A 37 2.804 -2.203 10.819 1.00 2.27 H new ATOM 0 HZ1 LYS A 37 2.427 -4.572 10.634 1.00 2.22 H new ATOM 0 HZ2 LYS A 37 1.039 -3.807 11.243 1.00 2.22 H new ATOM 0 HZ3 LYS A 37 1.087 -4.316 9.624 1.00 2.22 H new ATOM 538 N LEU A 38 -2.196 -0.326 5.507 1.00 0.83 N ATOM 539 CA LEU A 38 -3.229 0.599 5.072 1.00 0.76 C ATOM 540 C LEU A 38 -3.883 1.238 6.299 1.00 0.80 C ATOM 541 O LEU A 38 -4.247 0.544 7.246 1.00 0.88 O ATOM 542 CB LEU A 38 -4.221 -0.103 4.143 1.00 0.73 C ATOM 543 CG LEU A 38 -5.616 0.518 4.059 1.00 0.70 C ATOM 544 CD1 LEU A 38 -5.543 1.970 3.582 1.00 0.74 C ATOM 545 CD2 LEU A 38 -6.541 -0.328 3.181 1.00 0.84 C ATOM 0 H LEU A 38 -2.540 -1.233 5.822 1.00 0.83 H new ATOM 0 HA LEU A 38 -2.794 1.407 4.483 1.00 0.76 H new ATOM 0 HB2 LEU A 38 -3.795 -0.127 3.140 1.00 0.73 H new ATOM 0 HB3 LEU A 38 -4.325 -1.138 4.470 1.00 0.73 H new ATOM 0 HG LEU A 38 -6.045 0.530 5.061 1.00 0.70 H new ATOM 0 HD11 LEU A 38 -6.549 2.387 3.531 1.00 0.74 H new ATOM 0 HD12 LEU A 38 -4.943 2.553 4.281 1.00 0.74 H new ATOM 0 HD13 LEU A 38 -5.085 2.006 2.593 1.00 0.74 H new ATOM 0 HD21 LEU A 38 -7.526 0.136 3.138 1.00 0.84 H new ATOM 0 HD22 LEU A 38 -6.127 -0.394 2.175 1.00 0.84 H new ATOM 0 HD23 LEU A 38 -6.629 -1.329 3.604 1.00 0.84 H new ATOM 557 N VAL A 39 -4.012 2.556 6.242 1.00 0.78 N ATOM 558 CA VAL A 39 -4.615 3.297 7.336 1.00 0.84 C ATOM 559 C VAL A 39 -5.768 4.147 6.796 1.00 0.75 C ATOM 560 O VAL A 39 -5.589 4.911 5.848 1.00 0.80 O ATOM 561 CB VAL A 39 -3.551 4.124 8.059 1.00 0.95 C ATOM 562 CG1 VAL A 39 -2.315 3.275 8.369 1.00 1.05 C ATOM 563 CG2 VAL A 39 -3.174 5.364 7.246 1.00 1.00 C ATOM 0 H VAL A 39 -3.709 3.129 5.455 1.00 0.78 H new ATOM 0 HA VAL A 39 -5.033 2.613 8.075 1.00 0.84 H new ATOM 0 HB VAL A 39 -3.974 4.460 9.006 1.00 0.95 H new ATOM 0 HG11 VAL A 39 -1.573 3.886 8.883 1.00 1.05 H new ATOM 0 HG12 VAL A 39 -2.599 2.437 9.006 1.00 1.05 H new ATOM 0 HG13 VAL A 39 -1.891 2.896 7.439 1.00 1.05 H new ATOM 0 HG21 VAL A 39 -2.416 5.934 7.783 1.00 1.00 H new ATOM 0 HG22 VAL A 39 -2.780 5.058 6.277 1.00 1.00 H new ATOM 0 HG23 VAL A 39 -4.058 5.985 7.098 1.00 1.00 H new ATOM 573 N MET A 40 -6.923 3.988 7.424 1.00 0.67 N ATOM 574 CA MET A 40 -8.104 4.732 7.019 1.00 0.64 C ATOM 575 C MET A 40 -8.160 6.093 7.714 1.00 0.74 C ATOM 576 O MET A 40 -8.615 6.195 8.852 1.00 0.80 O ATOM 577 CB MET A 40 -9.358 3.928 7.367 1.00 0.62 C ATOM 578 CG MET A 40 -10.624 4.750 7.113 1.00 0.66 C ATOM 579 SD MET A 40 -12.052 3.877 7.733 1.00 1.66 S ATOM 580 CE MET A 40 -13.302 5.133 7.511 1.00 2.20 C ATOM 0 H MET A 40 -7.067 3.355 8.211 1.00 0.67 H new ATOM 0 HA MET A 40 -8.055 4.897 5.943 1.00 0.64 H new ATOM 0 HB2 MET A 40 -9.387 3.016 6.771 1.00 0.62 H new ATOM 0 HB3 MET A 40 -9.321 3.624 8.413 1.00 0.62 H new ATOM 0 HG2 MET A 40 -10.541 5.721 7.601 1.00 0.66 H new ATOM 0 HG3 MET A 40 -10.738 4.938 6.045 1.00 0.66 H new ATOM 0 HE1 MET A 40 -14.265 4.752 7.851 1.00 2.20 H new ATOM 0 HE2 MET A 40 -13.037 6.017 8.091 1.00 2.20 H new ATOM 0 HE3 MET A 40 -13.368 5.398 6.456 1.00 2.20 H new ATOM 590 N THR A 41 -7.689 7.106 7.000 1.00 0.77 N ATOM 591 CA THR A 41 -7.680 8.457 7.534 1.00 0.90 C ATOM 592 C THR A 41 -8.755 9.307 6.855 1.00 0.94 C ATOM 593 O THR A 41 -8.448 10.322 6.231 1.00 1.07 O ATOM 594 CB THR A 41 -6.267 9.021 7.371 1.00 1.05 C ATOM 595 OG1 THR A 41 -6.289 10.234 8.117 1.00 1.04 O ATOM 596 CG2 THR A 41 -5.978 9.469 5.937 1.00 1.33 C ATOM 0 H THR A 41 -7.311 7.018 6.057 1.00 0.77 H new ATOM 0 HA THR A 41 -7.928 8.463 8.595 1.00 0.90 H new ATOM 0 HB THR A 41 -5.538 8.267 7.669 1.00 1.05 H new ATOM 0 HG1 THR A 41 -5.790 10.925 7.633 1.00 1.04 H new ATOM 0 HG21 THR A 41 -4.963 9.861 5.876 1.00 1.33 H new ATOM 0 HG22 THR A 41 -6.080 8.619 5.263 1.00 1.33 H new ATOM 0 HG23 THR A 41 -6.685 10.247 5.649 1.00 1.33 H new ATOM 604 N ALA A 42 -9.995 8.861 6.998 1.00 0.87 N ATOM 605 CA ALA A 42 -11.118 9.568 6.405 1.00 0.96 C ATOM 606 C ALA A 42 -10.960 11.069 6.657 1.00 1.18 C ATOM 607 O ALA A 42 -10.900 11.857 5.716 1.00 2.44 O ATOM 608 CB ALA A 42 -12.427 9.015 6.973 1.00 0.99 C ATOM 0 H ALA A 42 -10.247 8.019 7.516 1.00 0.87 H new ATOM 0 HA ALA A 42 -11.141 9.416 5.326 1.00 0.96 H new ATOM 0 HB1 ALA A 42 -13.269 9.545 6.528 1.00 0.99 H new ATOM 0 HB2 ALA A 42 -12.504 7.953 6.742 1.00 0.99 H new ATOM 0 HB3 ALA A 42 -12.441 9.153 8.054 1.00 0.99 H new ATOM 614 N MET A 43 -10.899 11.418 7.934 1.00 1.11 N ATOM 615 CA MET A 43 -10.751 12.810 8.322 1.00 1.32 C ATOM 616 C MET A 43 -10.118 12.928 9.711 1.00 1.40 C ATOM 617 O MET A 43 -10.211 12.005 10.519 1.00 1.45 O ATOM 618 CB MET A 43 -12.121 13.489 8.326 1.00 1.76 C ATOM 619 CG MET A 43 -12.324 14.325 7.060 1.00 2.32 C ATOM 620 SD MET A 43 -14.029 14.243 6.541 1.00 3.28 S ATOM 621 CE MET A 43 -14.433 15.981 6.529 1.00 3.88 C ATOM 0 H MET A 43 -10.949 10.761 8.713 1.00 1.11 H new ATOM 0 HA MET A 43 -10.096 13.300 7.602 1.00 1.32 H new ATOM 0 HB2 MET A 43 -12.904 12.734 8.397 1.00 1.76 H new ATOM 0 HB3 MET A 43 -12.212 14.127 9.205 1.00 1.76 H new ATOM 0 HG2 MET A 43 -12.042 15.361 7.249 1.00 2.32 H new ATOM 0 HG3 MET A 43 -11.675 13.959 6.264 1.00 2.32 H new ATOM 0 HE1 MET A 43 -15.471 16.111 6.224 1.00 3.88 H new ATOM 0 HE2 MET A 43 -14.294 16.394 7.528 1.00 3.88 H new ATOM 0 HE3 MET A 43 -13.781 16.501 5.827 1.00 3.88 H new ATOM 631 N PRO A 44 -9.474 14.101 9.951 1.00 1.78 N ATOM 632 CA PRO A 44 -8.827 14.351 11.228 1.00 2.10 C ATOM 633 C PRO A 44 -9.859 14.655 12.315 1.00 2.55 C ATOM 634 O PRO A 44 -10.585 15.644 12.228 1.00 3.22 O ATOM 635 CB PRO A 44 -7.879 15.510 10.969 1.00 2.60 C ATOM 636 CG PRO A 44 -8.364 16.167 9.686 1.00 2.76 C ATOM 637 CD PRO A 44 -9.344 15.216 9.018 1.00 2.20 C ATOM 0 HA PRO A 44 -8.282 13.483 11.600 1.00 2.10 H new ATOM 0 HB2 PRO A 44 -7.891 16.217 11.798 1.00 2.60 H new ATOM 0 HB3 PRO A 44 -6.852 15.159 10.864 1.00 2.60 H new ATOM 0 HG2 PRO A 44 -8.845 17.121 9.904 1.00 2.76 H new ATOM 0 HG3 PRO A 44 -7.524 16.377 9.024 1.00 2.76 H new ATOM 0 HD2 PRO A 44 -10.305 15.698 8.841 1.00 2.20 H new ATOM 0 HD3 PRO A 44 -8.973 14.881 8.050 1.00 2.20 H new ATOM 645 N GLY A 45 -9.891 13.786 13.315 1.00 2.62 N ATOM 646 CA GLY A 45 -10.823 13.950 14.419 1.00 3.25 C ATOM 647 C GLY A 45 -10.121 14.536 15.646 1.00 2.80 C ATOM 648 O GLY A 45 -10.537 15.570 16.168 1.00 2.80 O ATOM 0 H GLY A 45 -9.287 12.967 13.384 1.00 2.62 H new ATOM 0 HA2 GLY A 45 -11.640 14.605 14.116 1.00 3.25 H new ATOM 0 HA3 GLY A 45 -11.264 12.986 14.674 1.00 3.25 H new ATOM 652 N MET A 46 -9.070 13.850 16.071 1.00 2.80 N ATOM 653 CA MET A 46 -8.308 14.291 17.227 1.00 2.95 C ATOM 654 C MET A 46 -6.821 14.416 16.887 1.00 2.86 C ATOM 655 O MET A 46 -6.017 13.573 17.284 1.00 3.46 O ATOM 656 CB MET A 46 -8.488 13.289 18.370 1.00 3.88 C ATOM 657 CG MET A 46 -9.719 13.634 19.211 1.00 4.32 C ATOM 658 SD MET A 46 -9.358 15.014 20.284 1.00 5.01 S ATOM 659 CE MET A 46 -11.012 15.613 20.586 1.00 4.83 C ATOM 0 H MET A 46 -8.729 12.993 15.636 1.00 2.80 H new ATOM 0 HA MET A 46 -8.677 15.271 17.530 1.00 2.95 H new ATOM 0 HB2 MET A 46 -8.591 12.283 17.964 1.00 3.88 H new ATOM 0 HB3 MET A 46 -7.600 13.289 19.002 1.00 3.88 H new ATOM 0 HG2 MET A 46 -10.558 13.879 18.559 1.00 4.32 H new ATOM 0 HG3 MET A 46 -10.018 12.770 19.804 1.00 4.32 H new ATOM 0 HE1 MET A 46 -10.970 16.481 21.244 1.00 4.83 H new ATOM 0 HE2 MET A 46 -11.475 15.896 19.641 1.00 4.83 H new ATOM 0 HE3 MET A 46 -11.603 14.828 21.058 1.00 4.83 H new ATOM 669 N GLU A 47 -6.500 15.474 16.158 1.00 2.55 N ATOM 670 CA GLU A 47 -5.124 15.720 15.761 1.00 2.98 C ATOM 671 C GLU A 47 -4.638 14.618 14.817 1.00 2.96 C ATOM 672 O GLU A 47 -3.581 14.030 15.037 1.00 3.56 O ATOM 673 CB GLU A 47 -4.213 15.836 16.984 1.00 3.71 C ATOM 674 CG GLU A 47 -3.134 16.898 16.766 1.00 4.34 C ATOM 675 CD GLU A 47 -1.739 16.323 17.015 1.00 5.28 C ATOM 676 OE1 GLU A 47 -1.430 15.909 18.141 1.00 5.78 O ATOM 677 OE2 GLU A 47 -0.961 16.313 15.984 1.00 6.00 O ATOM 0 H GLU A 47 -7.169 16.171 15.832 1.00 2.55 H new ATOM 0 HA GLU A 47 -5.085 16.670 15.228 1.00 2.98 H new ATOM 0 HB2 GLU A 47 -4.807 16.091 17.861 1.00 3.71 H new ATOM 0 HB3 GLU A 47 -3.745 14.873 17.185 1.00 3.71 H new ATOM 0 HG2 GLU A 47 -3.197 17.281 15.747 1.00 4.34 H new ATOM 0 HG3 GLU A 47 -3.308 17.741 17.435 1.00 4.34 H new ATOM 684 N HIS A 48 -5.435 14.370 13.788 1.00 2.51 N ATOM 685 CA HIS A 48 -5.100 13.349 12.811 1.00 2.56 C ATOM 686 C HIS A 48 -4.885 12.010 13.521 1.00 2.09 C ATOM 687 O HIS A 48 -3.749 11.609 13.766 1.00 2.29 O ATOM 688 CB HIS A 48 -3.894 13.775 11.971 1.00 3.19 C ATOM 689 CG HIS A 48 -3.642 12.898 10.769 1.00 3.83 C ATOM 690 ND1 HIS A 48 -3.976 13.279 9.480 1.00 4.86 N ATOM 691 CD2 HIS A 48 -3.085 11.656 10.671 1.00 4.58 C ATOM 692 CE1 HIS A 48 -3.632 12.303 8.653 1.00 5.83 C ATOM 693 NE2 HIS A 48 -3.081 11.298 9.393 1.00 5.69 N ATOM 0 H HIS A 48 -6.312 14.859 13.610 1.00 2.51 H new ATOM 0 HA HIS A 48 -5.928 13.222 12.114 1.00 2.56 H new ATOM 0 HB2 HIS A 48 -4.043 14.801 11.634 1.00 3.19 H new ATOM 0 HB3 HIS A 48 -3.005 13.772 12.602 1.00 3.19 H new ATOM 0 HD2 HIS A 48 -2.711 11.065 11.494 1.00 4.58 H new ATOM 0 HE1 HIS A 48 -3.764 12.303 7.581 1.00 5.83 H new ATOM 0 HE2 HIS A 48 -2.724 10.416 9.025 1.00 5.69 H new ATOM 701 N SER A 49 -5.995 11.356 13.830 1.00 1.80 N ATOM 702 CA SER A 49 -5.942 10.072 14.507 1.00 1.63 C ATOM 703 C SER A 49 -6.592 8.995 13.635 1.00 1.58 C ATOM 704 O SER A 49 -7.738 8.613 13.865 1.00 1.73 O ATOM 705 CB SER A 49 -6.633 10.139 15.871 1.00 1.85 C ATOM 706 OG SER A 49 -6.324 9.010 16.682 1.00 2.18 O ATOM 0 H SER A 49 -6.936 11.691 13.624 1.00 1.80 H new ATOM 0 HA SER A 49 -4.896 9.815 14.673 1.00 1.63 H new ATOM 0 HB2 SER A 49 -6.329 11.050 16.387 1.00 1.85 H new ATOM 0 HB3 SER A 49 -7.712 10.198 15.728 1.00 1.85 H new ATOM 0 HG SER A 49 -6.783 9.091 17.544 1.00 2.18 H new ATOM 712 N PRO A 50 -5.809 8.522 12.628 1.00 1.59 N ATOM 713 CA PRO A 50 -6.296 7.496 11.722 1.00 1.75 C ATOM 714 C PRO A 50 -6.310 6.126 12.401 1.00 1.54 C ATOM 715 O PRO A 50 -5.818 5.978 13.519 1.00 1.74 O ATOM 716 CB PRO A 50 -5.363 7.556 10.523 1.00 2.06 C ATOM 717 CG PRO A 50 -4.119 8.286 11.000 1.00 2.04 C ATOM 718 CD PRO A 50 -4.447 8.950 12.327 1.00 1.74 C ATOM 0 HA PRO A 50 -7.329 7.661 11.415 1.00 1.75 H new ATOM 0 HB2 PRO A 50 -5.117 6.555 10.169 1.00 2.06 H new ATOM 0 HB3 PRO A 50 -5.830 8.083 9.691 1.00 2.06 H new ATOM 0 HG2 PRO A 50 -3.289 7.589 11.117 1.00 2.04 H new ATOM 0 HG3 PRO A 50 -3.809 9.031 10.267 1.00 2.04 H new ATOM 0 HD2 PRO A 50 -3.753 8.639 13.108 1.00 1.74 H new ATOM 0 HD3 PRO A 50 -4.380 10.035 12.254 1.00 1.74 H new ATOM 726 N MET A 51 -6.877 5.157 11.697 1.00 1.21 N ATOM 727 CA MET A 51 -6.961 3.803 12.218 1.00 1.05 C ATOM 728 C MET A 51 -6.320 2.803 11.253 1.00 0.96 C ATOM 729 O MET A 51 -6.559 2.858 10.048 1.00 1.00 O ATOM 730 CB MET A 51 -8.428 3.431 12.438 1.00 0.98 C ATOM 731 CG MET A 51 -8.911 3.896 13.813 1.00 1.28 C ATOM 732 SD MET A 51 -8.508 2.672 15.048 1.00 2.17 S ATOM 733 CE MET A 51 -9.982 2.750 16.053 1.00 2.60 C ATOM 0 H MET A 51 -7.283 5.283 10.770 1.00 1.21 H new ATOM 0 HA MET A 51 -6.421 3.764 13.164 1.00 1.05 H new ATOM 0 HB2 MET A 51 -9.042 3.884 11.660 1.00 0.98 H new ATOM 0 HB3 MET A 51 -8.550 2.351 12.352 1.00 0.98 H new ATOM 0 HG2 MET A 51 -8.446 4.848 14.068 1.00 1.28 H new ATOM 0 HG3 MET A 51 -9.988 4.062 13.792 1.00 1.28 H new ATOM 0 HE1 MET A 51 -9.898 2.043 16.878 1.00 2.60 H new ATOM 0 HE2 MET A 51 -10.099 3.758 16.450 1.00 2.60 H new ATOM 0 HE3 MET A 51 -10.851 2.497 15.445 1.00 2.60 H new ATOM 743 N ALA A 52 -5.517 1.915 11.819 1.00 1.00 N ATOM 744 CA ALA A 52 -4.840 0.904 11.025 1.00 1.00 C ATOM 745 C ALA A 52 -5.844 -0.173 10.613 1.00 0.85 C ATOM 746 O ALA A 52 -6.716 -0.546 11.397 1.00 0.80 O ATOM 747 CB ALA A 52 -3.664 0.333 11.819 1.00 1.20 C ATOM 0 H ALA A 52 -5.320 1.874 12.819 1.00 1.00 H new ATOM 0 HA ALA A 52 -4.435 1.342 10.113 1.00 1.00 H new ATOM 0 HB1 ALA A 52 -3.157 -0.425 11.223 1.00 1.20 H new ATOM 0 HB2 ALA A 52 -2.964 1.134 12.060 1.00 1.20 H new ATOM 0 HB3 ALA A 52 -4.032 -0.117 12.741 1.00 1.20 H new ATOM 753 N VAL A 53 -5.689 -0.643 9.383 1.00 0.86 N ATOM 754 CA VAL A 53 -6.573 -1.671 8.859 1.00 0.82 C ATOM 755 C VAL A 53 -5.806 -2.990 8.752 1.00 1.00 C ATOM 756 O VAL A 53 -4.584 -2.992 8.612 1.00 1.22 O ATOM 757 CB VAL A 53 -7.169 -1.216 7.525 1.00 0.77 C ATOM 758 CG1 VAL A 53 -6.330 -1.720 6.349 1.00 0.73 C ATOM 759 CG2 VAL A 53 -8.626 -1.667 7.394 1.00 0.86 C ATOM 0 H VAL A 53 -4.965 -0.331 8.735 1.00 0.86 H new ATOM 0 HA VAL A 53 -7.411 -1.837 9.536 1.00 0.82 H new ATOM 0 HB VAL A 53 -7.153 -0.126 7.504 1.00 0.77 H new ATOM 0 HG11 VAL A 53 -6.776 -1.383 5.413 1.00 0.73 H new ATOM 0 HG12 VAL A 53 -5.316 -1.328 6.431 1.00 0.73 H new ATOM 0 HG13 VAL A 53 -6.300 -2.809 6.364 1.00 0.73 H new ATOM 0 HG21 VAL A 53 -9.026 -1.331 6.437 1.00 0.86 H new ATOM 0 HG22 VAL A 53 -8.676 -2.755 7.447 1.00 0.86 H new ATOM 0 HG23 VAL A 53 -9.214 -1.237 8.205 1.00 0.86 H new ATOM 769 N LYS A 54 -6.556 -4.080 8.823 1.00 1.01 N ATOM 770 CA LYS A 54 -5.962 -5.403 8.736 1.00 1.23 C ATOM 771 C LYS A 54 -5.863 -5.818 7.266 1.00 1.15 C ATOM 772 O LYS A 54 -6.879 -6.062 6.616 1.00 1.18 O ATOM 773 CB LYS A 54 -6.737 -6.397 9.604 1.00 1.47 C ATOM 774 CG LYS A 54 -8.044 -6.814 8.927 1.00 1.67 C ATOM 775 CD LYS A 54 -9.074 -7.277 9.959 1.00 1.84 C ATOM 776 CE LYS A 54 -9.377 -8.768 9.801 1.00 2.97 C ATOM 777 NZ LYS A 54 -9.928 -9.321 11.059 1.00 3.10 N ATOM 0 H LYS A 54 -7.569 -4.074 8.940 1.00 1.01 H new ATOM 0 HA LYS A 54 -4.947 -5.391 9.134 1.00 1.23 H new ATOM 0 HB2 LYS A 54 -6.123 -7.278 9.791 1.00 1.47 H new ATOM 0 HB3 LYS A 54 -6.953 -5.948 10.573 1.00 1.47 H new ATOM 0 HG2 LYS A 54 -8.446 -5.976 8.358 1.00 1.67 H new ATOM 0 HG3 LYS A 54 -7.849 -7.618 8.217 1.00 1.67 H new ATOM 0 HD2 LYS A 54 -8.699 -7.083 10.964 1.00 1.84 H new ATOM 0 HD3 LYS A 54 -9.993 -6.702 9.845 1.00 1.84 H new ATOM 0 HE2 LYS A 54 -10.089 -8.916 8.989 1.00 2.97 H new ATOM 0 HE3 LYS A 54 -8.467 -9.303 9.529 1.00 2.97 H new ATOM 0 HZ1 LYS A 54 -10.128 -10.334 10.935 1.00 3.10 H new ATOM 0 HZ2 LYS A 54 -9.236 -9.196 11.825 1.00 3.10 H new ATOM 0 HZ3 LYS A 54 -10.807 -8.822 11.302 1.00 3.10 H new ATOM 791 N ALA A 55 -4.631 -5.885 6.784 1.00 1.15 N ATOM 792 CA ALA A 55 -4.386 -6.265 5.404 1.00 1.08 C ATOM 793 C ALA A 55 -3.271 -7.312 5.358 1.00 1.05 C ATOM 794 O ALA A 55 -2.673 -7.632 6.383 1.00 1.07 O ATOM 795 CB ALA A 55 -4.050 -5.019 4.583 1.00 1.08 C ATOM 0 H ALA A 55 -3.791 -5.682 7.326 1.00 1.15 H new ATOM 0 HA ALA A 55 -5.278 -6.713 4.965 1.00 1.08 H new ATOM 0 HB1 ALA A 55 -3.866 -5.304 3.547 1.00 1.08 H new ATOM 0 HB2 ALA A 55 -4.885 -4.320 4.624 1.00 1.08 H new ATOM 0 HB3 ALA A 55 -3.159 -4.543 4.992 1.00 1.08 H new ATOM 801 N ALA A 56 -3.025 -7.816 4.157 1.00 1.00 N ATOM 802 CA ALA A 56 -1.992 -8.820 3.963 1.00 0.99 C ATOM 803 C ALA A 56 -1.210 -8.501 2.689 1.00 0.99 C ATOM 804 O ALA A 56 -1.786 -8.061 1.695 1.00 0.99 O ATOM 805 CB ALA A 56 -2.632 -10.209 3.923 1.00 0.99 C ATOM 0 H ALA A 56 -3.523 -7.548 3.308 1.00 1.00 H new ATOM 0 HA ALA A 56 -1.286 -8.810 4.793 1.00 0.99 H new ATOM 0 HB1 ALA A 56 -1.858 -10.962 3.778 1.00 0.99 H new ATOM 0 HB2 ALA A 56 -3.150 -10.398 4.863 1.00 0.99 H new ATOM 0 HB3 ALA A 56 -3.345 -10.258 3.100 1.00 0.99 H new ATOM 811 N VAL A 57 0.093 -8.734 2.758 1.00 1.03 N ATOM 812 CA VAL A 57 0.961 -8.477 1.622 1.00 1.05 C ATOM 813 C VAL A 57 1.358 -9.807 0.978 1.00 1.09 C ATOM 814 O VAL A 57 1.812 -10.722 1.664 1.00 1.09 O ATOM 815 CB VAL A 57 2.165 -7.642 2.061 1.00 1.08 C ATOM 816 CG1 VAL A 57 2.668 -8.088 3.436 1.00 2.26 C ATOM 817 CG2 VAL A 57 3.285 -7.705 1.020 1.00 1.95 C ATOM 0 H VAL A 57 0.568 -9.098 3.584 1.00 1.03 H new ATOM 0 HA VAL A 57 0.437 -7.893 0.865 1.00 1.05 H new ATOM 0 HB VAL A 57 1.842 -6.604 2.142 1.00 1.08 H new ATOM 0 HG11 VAL A 57 3.524 -7.479 3.725 1.00 2.26 H new ATOM 0 HG12 VAL A 57 1.872 -7.968 4.171 1.00 2.26 H new ATOM 0 HG13 VAL A 57 2.966 -9.136 3.392 1.00 2.26 H new ATOM 0 HG21 VAL A 57 4.129 -7.103 1.357 1.00 1.95 H new ATOM 0 HG22 VAL A 57 3.605 -8.739 0.892 1.00 1.95 H new ATOM 0 HG23 VAL A 57 2.920 -7.318 0.069 1.00 1.95 H new ATOM 827 N SER A 58 1.173 -9.872 -0.332 1.00 1.16 N ATOM 828 CA SER A 58 1.505 -11.075 -1.077 1.00 1.22 C ATOM 829 C SER A 58 2.063 -10.702 -2.452 1.00 1.08 C ATOM 830 O SER A 58 1.507 -9.846 -3.139 1.00 0.99 O ATOM 831 CB SER A 58 0.285 -11.986 -1.227 1.00 1.36 C ATOM 832 OG SER A 58 -0.503 -12.022 -0.041 1.00 1.45 O ATOM 0 H SER A 58 0.797 -9.111 -0.897 1.00 1.16 H new ATOM 0 HA SER A 58 2.265 -11.623 -0.520 1.00 1.22 H new ATOM 0 HB2 SER A 58 -0.327 -11.638 -2.059 1.00 1.36 H new ATOM 0 HB3 SER A 58 0.614 -12.995 -1.474 1.00 1.36 H new ATOM 0 HG SER A 58 -1.273 -12.613 -0.178 1.00 1.45 H new ATOM 838 N GLY A 59 3.152 -11.363 -2.813 1.00 1.40 N ATOM 839 CA GLY A 59 3.790 -11.112 -4.094 1.00 1.31 C ATOM 840 C GLY A 59 2.987 -11.736 -5.238 1.00 1.29 C ATOM 841 O GLY A 59 2.218 -12.670 -5.023 1.00 1.35 O ATOM 0 H GLY A 59 3.609 -12.073 -2.241 1.00 1.40 H new ATOM 0 HA2 GLY A 59 3.883 -10.038 -4.254 1.00 1.31 H new ATOM 0 HA3 GLY A 59 4.800 -11.522 -4.088 1.00 1.31 H new ATOM 845 N GLY A 60 3.195 -11.194 -6.428 1.00 1.27 N ATOM 846 CA GLY A 60 2.502 -11.686 -7.606 1.00 1.33 C ATOM 847 C GLY A 60 3.276 -12.831 -8.261 1.00 1.33 C ATOM 848 O GLY A 60 4.088 -13.487 -7.610 1.00 2.24 O ATOM 0 H GLY A 60 3.834 -10.418 -6.602 1.00 1.27 H new ATOM 0 HA2 GLY A 60 1.505 -12.028 -7.329 1.00 1.33 H new ATOM 0 HA3 GLY A 60 2.373 -10.874 -8.322 1.00 1.33 H new ATOM 852 N GLY A 61 2.997 -13.037 -9.539 1.00 1.61 N ATOM 853 CA GLY A 61 3.657 -14.093 -10.288 1.00 1.81 C ATOM 854 C GLY A 61 5.177 -14.000 -10.145 1.00 1.73 C ATOM 855 O GLY A 61 5.871 -15.015 -10.170 1.00 2.15 O ATOM 0 H GLY A 61 2.323 -12.491 -10.075 1.00 1.61 H new ATOM 0 HA2 GLY A 61 3.314 -15.065 -9.933 1.00 1.81 H new ATOM 0 HA3 GLY A 61 3.382 -14.023 -11.341 1.00 1.81 H new ATOM 859 N ASP A 62 5.651 -12.771 -9.997 1.00 1.48 N ATOM 860 CA ASP A 62 7.076 -12.532 -9.848 1.00 1.39 C ATOM 861 C ASP A 62 7.360 -12.027 -8.432 1.00 1.14 C ATOM 862 O ASP A 62 6.520 -11.365 -7.826 1.00 1.02 O ATOM 863 CB ASP A 62 7.562 -11.468 -10.835 1.00 1.44 C ATOM 864 CG ASP A 62 7.187 -11.722 -12.296 1.00 2.02 C ATOM 865 OD1 ASP A 62 6.029 -11.540 -12.699 1.00 3.08 O ATOM 866 OD2 ASP A 62 8.155 -12.130 -13.045 1.00 2.29 O ATOM 0 H ASP A 62 5.073 -11.931 -9.977 1.00 1.48 H new ATOM 0 HA ASP A 62 7.597 -13.470 -10.042 1.00 1.39 H new ATOM 0 HB2 ASP A 62 7.156 -10.502 -10.534 1.00 1.44 H new ATOM 0 HB3 ASP A 62 8.647 -11.394 -10.762 1.00 1.44 H new ATOM 871 N PRO A 63 8.578 -12.369 -7.933 1.00 1.17 N ATOM 872 CA PRO A 63 8.983 -11.959 -6.599 1.00 1.13 C ATOM 873 C PRO A 63 9.350 -10.473 -6.571 1.00 1.01 C ATOM 874 O PRO A 63 9.488 -9.885 -5.500 1.00 1.04 O ATOM 875 CB PRO A 63 10.151 -12.865 -6.246 1.00 1.38 C ATOM 876 CG PRO A 63 10.653 -13.430 -7.564 1.00 1.49 C ATOM 877 CD PRO A 63 9.599 -13.153 -8.622 1.00 1.39 C ATOM 0 HA PRO A 63 8.182 -12.060 -5.866 1.00 1.13 H new ATOM 0 HB2 PRO A 63 10.937 -12.308 -5.735 1.00 1.38 H new ATOM 0 HB3 PRO A 63 9.837 -13.663 -5.573 1.00 1.38 H new ATOM 0 HG2 PRO A 63 11.601 -12.969 -7.840 1.00 1.49 H new ATOM 0 HG3 PRO A 63 10.833 -14.501 -7.476 1.00 1.49 H new ATOM 0 HD2 PRO A 63 10.019 -12.603 -9.464 1.00 1.39 H new ATOM 0 HD3 PRO A 63 9.185 -14.079 -9.020 1.00 1.39 H new ATOM 885 N LYS A 64 9.496 -9.910 -7.761 1.00 1.02 N ATOM 886 CA LYS A 64 9.843 -8.504 -7.886 1.00 1.08 C ATOM 887 C LYS A 64 8.569 -7.659 -7.817 1.00 1.14 C ATOM 888 O LYS A 64 8.629 -6.460 -7.552 1.00 1.31 O ATOM 889 CB LYS A 64 10.671 -8.268 -9.151 1.00 1.14 C ATOM 890 CG LYS A 64 9.970 -8.847 -10.381 1.00 1.18 C ATOM 891 CD LYS A 64 10.339 -8.065 -11.643 1.00 1.47 C ATOM 892 CE LYS A 64 10.781 -9.009 -12.763 1.00 1.88 C ATOM 893 NZ LYS A 64 10.367 -8.477 -14.081 1.00 2.03 N ATOM 0 H LYS A 64 9.380 -10.401 -8.647 1.00 1.02 H new ATOM 0 HA LYS A 64 10.476 -8.192 -7.055 1.00 1.08 H new ATOM 0 HB2 LYS A 64 10.833 -7.199 -9.290 1.00 1.14 H new ATOM 0 HB3 LYS A 64 11.653 -8.727 -9.038 1.00 1.14 H new ATOM 0 HG2 LYS A 64 10.249 -9.894 -10.503 1.00 1.18 H new ATOM 0 HG3 LYS A 64 8.890 -8.819 -10.235 1.00 1.18 H new ATOM 0 HD2 LYS A 64 9.483 -7.477 -11.974 1.00 1.47 H new ATOM 0 HD3 LYS A 64 11.141 -7.361 -11.418 1.00 1.47 H new ATOM 0 HE2 LYS A 64 11.864 -9.132 -12.737 1.00 1.88 H new ATOM 0 HE3 LYS A 64 10.344 -9.996 -12.609 1.00 1.88 H new ATOM 0 HZ1 LYS A 64 10.674 -9.129 -14.831 1.00 2.03 H new ATOM 0 HZ2 LYS A 64 9.332 -8.382 -14.107 1.00 2.03 H new ATOM 0 HZ3 LYS A 64 10.804 -7.545 -14.232 1.00 2.03 H new ATOM 907 N THR A 65 7.446 -8.319 -8.061 1.00 1.08 N ATOM 908 CA THR A 65 6.160 -7.645 -8.029 1.00 1.20 C ATOM 909 C THR A 65 5.405 -7.995 -6.746 1.00 1.12 C ATOM 910 O THR A 65 5.323 -9.163 -6.368 1.00 1.15 O ATOM 911 CB THR A 65 5.399 -8.019 -9.303 1.00 1.31 C ATOM 912 OG1 THR A 65 5.934 -7.148 -10.296 1.00 1.47 O ATOM 913 CG2 THR A 65 3.919 -7.641 -9.233 1.00 1.43 C ATOM 0 H THR A 65 7.401 -9.314 -8.282 1.00 1.08 H new ATOM 0 HA THR A 65 6.282 -6.562 -8.011 1.00 1.20 H new ATOM 0 HB THR A 65 5.492 -9.091 -9.479 1.00 1.31 H new ATOM 0 HG1 THR A 65 5.394 -6.331 -10.340 1.00 1.47 H new ATOM 0 HG21 THR A 65 3.426 -7.928 -10.162 1.00 1.43 H new ATOM 0 HG22 THR A 65 3.450 -8.160 -8.397 1.00 1.43 H new ATOM 0 HG23 THR A 65 3.825 -6.565 -9.090 1.00 1.43 H new ATOM 921 N MET A 66 4.872 -6.961 -6.110 1.00 1.09 N ATOM 922 CA MET A 66 4.127 -7.146 -4.877 1.00 1.04 C ATOM 923 C MET A 66 2.635 -6.884 -5.094 1.00 0.96 C ATOM 924 O MET A 66 2.249 -6.227 -6.060 1.00 0.86 O ATOM 925 CB MET A 66 4.662 -6.190 -3.808 1.00 0.99 C ATOM 926 CG MET A 66 5.483 -6.944 -2.761 1.00 1.21 C ATOM 927 SD MET A 66 7.224 -6.649 -3.020 1.00 2.02 S ATOM 928 CE MET A 66 7.512 -7.711 -4.425 1.00 1.10 C ATOM 0 H MET A 66 4.942 -5.994 -6.426 1.00 1.09 H new ATOM 0 HA MET A 66 4.253 -8.178 -4.550 1.00 1.04 H new ATOM 0 HB2 MET A 66 5.279 -5.423 -4.276 1.00 0.99 H new ATOM 0 HB3 MET A 66 3.830 -5.678 -3.324 1.00 0.99 H new ATOM 0 HG2 MET A 66 5.196 -6.621 -1.760 1.00 1.21 H new ATOM 0 HG3 MET A 66 5.274 -8.012 -2.823 1.00 1.21 H new ATOM 0 HE1 MET A 66 8.540 -8.073 -4.402 1.00 1.10 H new ATOM 0 HE2 MET A 66 6.827 -8.558 -4.387 1.00 1.10 H new ATOM 0 HE3 MET A 66 7.345 -7.151 -5.345 1.00 1.10 H new ATOM 938 N VAL A 67 1.834 -7.411 -4.178 1.00 1.05 N ATOM 939 CA VAL A 67 0.394 -7.242 -4.257 1.00 1.03 C ATOM 940 C VAL A 67 -0.193 -7.238 -2.844 1.00 1.07 C ATOM 941 O VAL A 67 -0.109 -8.237 -2.131 1.00 1.16 O ATOM 942 CB VAL A 67 -0.212 -8.325 -5.153 1.00 1.13 C ATOM 943 CG1 VAL A 67 -1.719 -8.121 -5.318 1.00 1.64 C ATOM 944 CG2 VAL A 67 0.488 -8.366 -6.514 1.00 1.81 C ATOM 0 H VAL A 67 2.156 -7.955 -3.378 1.00 1.05 H new ATOM 0 HA VAL A 67 0.147 -6.284 -4.715 1.00 1.03 H new ATOM 0 HB VAL A 67 -0.056 -9.288 -4.666 1.00 1.13 H new ATOM 0 HG11 VAL A 67 -2.124 -8.904 -5.959 1.00 1.64 H new ATOM 0 HG12 VAL A 67 -2.201 -8.166 -4.342 1.00 1.64 H new ATOM 0 HG13 VAL A 67 -1.907 -7.148 -5.771 1.00 1.64 H new ATOM 0 HG21 VAL A 67 0.038 -9.144 -7.131 1.00 1.81 H new ATOM 0 HG22 VAL A 67 0.378 -7.401 -7.009 1.00 1.81 H new ATOM 0 HG23 VAL A 67 1.547 -8.582 -6.372 1.00 1.81 H new ATOM 954 N ILE A 68 -0.775 -6.104 -2.482 1.00 1.00 N ATOM 955 CA ILE A 68 -1.375 -5.957 -1.168 1.00 1.03 C ATOM 956 C ILE A 68 -2.871 -6.266 -1.258 1.00 1.03 C ATOM 957 O ILE A 68 -3.598 -5.618 -2.010 1.00 1.05 O ATOM 958 CB ILE A 68 -1.066 -4.575 -0.588 1.00 1.04 C ATOM 959 CG1 ILE A 68 0.119 -4.638 0.378 1.00 1.07 C ATOM 960 CG2 ILE A 68 -2.307 -3.965 0.065 1.00 1.05 C ATOM 961 CD1 ILE A 68 1.447 -4.608 -0.381 1.00 1.10 C ATOM 0 H ILE A 68 -0.843 -5.278 -3.077 1.00 1.00 H new ATOM 0 HA ILE A 68 -0.942 -6.673 -0.470 1.00 1.03 H new ATOM 0 HB ILE A 68 -0.778 -3.917 -1.408 1.00 1.04 H new ATOM 0 HG12 ILE A 68 0.073 -3.798 1.071 1.00 1.07 H new ATOM 0 HG13 ILE A 68 0.058 -5.548 0.975 1.00 1.07 H new ATOM 0 HG21 ILE A 68 -2.060 -2.983 0.469 1.00 1.05 H new ATOM 0 HG22 ILE A 68 -3.097 -3.863 -0.679 1.00 1.05 H new ATOM 0 HG23 ILE A 68 -2.650 -4.613 0.871 1.00 1.05 H new ATOM 0 HD11 ILE A 68 2.273 -4.654 0.329 1.00 1.10 H new ATOM 0 HD12 ILE A 68 1.500 -5.463 -1.055 1.00 1.10 H new ATOM 0 HD13 ILE A 68 1.515 -3.686 -0.958 1.00 1.10 H new ATOM 973 N THR A 69 -3.287 -7.254 -0.480 1.00 1.04 N ATOM 974 CA THR A 69 -4.683 -7.656 -0.464 1.00 1.05 C ATOM 975 C THR A 69 -5.247 -7.567 0.957 1.00 1.05 C ATOM 976 O THR A 69 -4.883 -8.361 1.823 1.00 1.14 O ATOM 977 CB THR A 69 -4.779 -9.058 -1.068 1.00 1.13 C ATOM 978 OG1 THR A 69 -5.197 -8.829 -2.412 1.00 1.28 O ATOM 979 CG2 THR A 69 -5.917 -9.882 -0.461 1.00 0.96 C ATOM 0 H THR A 69 -2.682 -7.788 0.144 1.00 1.04 H new ATOM 0 HA THR A 69 -5.295 -6.984 -1.067 1.00 1.05 H new ATOM 0 HB THR A 69 -3.834 -9.581 -0.921 1.00 1.13 H new ATOM 0 HG1 THR A 69 -5.283 -9.687 -2.878 1.00 1.28 H new ATOM 0 HG21 THR A 69 -5.940 -10.868 -0.925 1.00 0.96 H new ATOM 0 HG22 THR A 69 -5.756 -9.990 0.612 1.00 0.96 H new ATOM 0 HG23 THR A 69 -6.866 -9.376 -0.637 1.00 0.96 H new ATOM 987 N PRO A 70 -6.148 -6.569 1.156 1.00 0.96 N ATOM 988 CA PRO A 70 -6.765 -6.366 2.456 1.00 0.96 C ATOM 989 C PRO A 70 -7.830 -7.430 2.729 1.00 1.03 C ATOM 990 O PRO A 70 -8.636 -7.746 1.855 1.00 1.05 O ATOM 991 CB PRO A 70 -7.331 -4.957 2.407 1.00 0.88 C ATOM 992 CG PRO A 70 -7.421 -4.594 0.933 1.00 0.85 C ATOM 993 CD PRO A 70 -6.603 -5.610 0.154 1.00 0.90 C ATOM 0 HA PRO A 70 -6.057 -6.467 3.279 1.00 0.96 H new ATOM 0 HB2 PRO A 70 -8.312 -4.914 2.880 1.00 0.88 H new ATOM 0 HB3 PRO A 70 -6.688 -4.259 2.942 1.00 0.88 H new ATOM 0 HG2 PRO A 70 -8.459 -4.603 0.600 1.00 0.85 H new ATOM 0 HG3 PRO A 70 -7.041 -3.587 0.764 1.00 0.85 H new ATOM 0 HD2 PRO A 70 -7.204 -6.096 -0.615 1.00 0.90 H new ATOM 0 HD3 PRO A 70 -5.761 -5.136 -0.351 1.00 0.90 H new ATOM 1001 N ALA A 71 -7.800 -7.953 3.947 1.00 1.10 N ATOM 1002 CA ALA A 71 -8.753 -8.973 4.346 1.00 1.19 C ATOM 1003 C ALA A 71 -10.121 -8.327 4.574 1.00 1.21 C ATOM 1004 O ALA A 71 -11.153 -8.970 4.391 1.00 1.29 O ATOM 1005 CB ALA A 71 -8.234 -9.697 5.590 1.00 1.29 C ATOM 0 H ALA A 71 -7.130 -7.689 4.670 1.00 1.10 H new ATOM 0 HA ALA A 71 -8.869 -9.719 3.560 1.00 1.19 H new ATOM 0 HB1 ALA A 71 -8.949 -10.463 5.890 1.00 1.29 H new ATOM 0 HB2 ALA A 71 -7.275 -10.164 5.366 1.00 1.29 H new ATOM 0 HB3 ALA A 71 -8.108 -8.981 6.402 1.00 1.29 H new ATOM 1011 N SER A 72 -10.084 -7.064 4.971 1.00 1.18 N ATOM 1012 CA SER A 72 -11.308 -6.324 5.226 1.00 1.21 C ATOM 1013 C SER A 72 -11.716 -5.541 3.977 1.00 1.01 C ATOM 1014 O SER A 72 -10.864 -5.133 3.190 1.00 0.84 O ATOM 1015 CB SER A 72 -11.140 -5.375 6.416 1.00 1.29 C ATOM 1016 OG SER A 72 -12.270 -5.400 7.282 1.00 1.44 O ATOM 0 H SER A 72 -9.226 -6.534 5.122 1.00 1.18 H new ATOM 0 HA SER A 72 -12.094 -7.038 5.473 1.00 1.21 H new ATOM 0 HB2 SER A 72 -10.247 -5.651 6.977 1.00 1.29 H new ATOM 0 HB3 SER A 72 -10.985 -4.360 6.051 1.00 1.29 H new ATOM 0 HG SER A 72 -12.123 -4.783 8.029 1.00 1.44 H new ATOM 1022 N PRO A 73 -13.055 -5.351 3.831 1.00 1.09 N ATOM 1023 CA PRO A 73 -13.587 -4.624 2.690 1.00 0.98 C ATOM 1024 C PRO A 73 -13.354 -3.120 2.842 1.00 0.80 C ATOM 1025 O PRO A 73 -13.592 -2.555 3.908 1.00 0.90 O ATOM 1026 CB PRO A 73 -15.061 -4.994 2.641 1.00 1.20 C ATOM 1027 CG PRO A 73 -15.400 -5.541 4.018 1.00 1.37 C ATOM 1028 CD PRO A 73 -14.094 -5.819 4.744 1.00 1.33 C ATOM 0 HA PRO A 73 -13.092 -4.887 1.755 1.00 0.98 H new ATOM 0 HB2 PRO A 73 -15.674 -4.124 2.405 1.00 1.20 H new ATOM 0 HB3 PRO A 73 -15.251 -5.738 1.868 1.00 1.20 H new ATOM 0 HG2 PRO A 73 -16.002 -4.824 4.576 1.00 1.37 H new ATOM 0 HG3 PRO A 73 -15.990 -6.453 3.932 1.00 1.37 H new ATOM 0 HD2 PRO A 73 -14.051 -5.292 5.697 1.00 1.33 H new ATOM 0 HD3 PRO A 73 -13.980 -6.881 4.962 1.00 1.33 H new ATOM 1036 N LEU A 74 -12.892 -2.513 1.758 1.00 0.63 N ATOM 1037 CA LEU A 74 -12.624 -1.085 1.756 1.00 0.55 C ATOM 1038 C LEU A 74 -13.921 -0.328 1.464 1.00 0.60 C ATOM 1039 O LEU A 74 -14.503 -0.475 0.391 1.00 0.75 O ATOM 1040 CB LEU A 74 -11.487 -0.754 0.788 1.00 0.65 C ATOM 1041 CG LEU A 74 -10.156 -1.460 1.050 1.00 0.61 C ATOM 1042 CD1 LEU A 74 -9.215 -1.319 -0.149 1.00 0.73 C ATOM 1043 CD2 LEU A 74 -9.514 -0.955 2.344 1.00 0.53 C ATOM 0 H LEU A 74 -12.697 -2.985 0.875 1.00 0.63 H new ATOM 0 HA LEU A 74 -12.279 -0.761 2.738 1.00 0.55 H new ATOM 0 HB2 LEU A 74 -11.813 -1.000 -0.222 1.00 0.65 H new ATOM 0 HB3 LEU A 74 -11.316 0.322 0.814 1.00 0.65 H new ATOM 0 HG LEU A 74 -10.353 -2.524 1.181 1.00 0.61 H new ATOM 0 HD11 LEU A 74 -8.276 -1.830 0.063 1.00 0.73 H new ATOM 0 HD12 LEU A 74 -9.679 -1.763 -1.030 1.00 0.73 H new ATOM 0 HD13 LEU A 74 -9.019 -0.263 -0.336 1.00 0.73 H new ATOM 0 HD21 LEU A 74 -8.569 -1.473 2.507 1.00 0.53 H new ATOM 0 HD22 LEU A 74 -9.332 0.117 2.266 1.00 0.53 H new ATOM 0 HD23 LEU A 74 -10.183 -1.149 3.182 1.00 0.53 H new ATOM 1055 N THR A 75 -14.336 0.469 2.439 1.00 0.55 N ATOM 1056 CA THR A 75 -15.554 1.250 2.300 1.00 0.63 C ATOM 1057 C THR A 75 -15.224 2.677 1.858 1.00 0.67 C ATOM 1058 O THR A 75 -14.054 3.043 1.753 1.00 0.75 O ATOM 1059 CB THR A 75 -16.311 1.185 3.628 1.00 0.66 C ATOM 1060 OG1 THR A 75 -15.455 1.854 4.550 1.00 0.68 O ATOM 1061 CG2 THR A 75 -16.409 -0.240 4.177 1.00 0.65 C ATOM 0 H THR A 75 -13.850 0.590 3.328 1.00 0.55 H new ATOM 0 HA THR A 75 -16.199 0.843 1.521 1.00 0.63 H new ATOM 0 HB THR A 75 -17.313 1.592 3.494 1.00 0.66 H new ATOM 0 HG1 THR A 75 -15.870 1.859 5.438 1.00 0.68 H new ATOM 0 HG21 THR A 75 -16.955 -0.230 5.120 1.00 0.65 H new ATOM 0 HG22 THR A 75 -16.935 -0.871 3.460 1.00 0.65 H new ATOM 0 HG23 THR A 75 -15.407 -0.636 4.342 1.00 0.65 H new ATOM 1069 N ALA A 76 -16.277 3.443 1.611 1.00 0.66 N ATOM 1070 CA ALA A 76 -16.113 4.822 1.182 1.00 0.73 C ATOM 1071 C ALA A 76 -15.239 5.566 2.193 1.00 0.70 C ATOM 1072 O ALA A 76 -14.918 5.032 3.254 1.00 0.80 O ATOM 1073 CB ALA A 76 -17.490 5.470 1.013 1.00 0.84 C ATOM 0 H ALA A 76 -17.245 3.135 1.700 1.00 0.66 H new ATOM 0 HA ALA A 76 -15.610 4.867 0.216 1.00 0.73 H new ATOM 0 HB1 ALA A 76 -17.368 6.504 0.691 1.00 0.84 H new ATOM 0 HB2 ALA A 76 -18.061 4.922 0.264 1.00 0.84 H new ATOM 0 HB3 ALA A 76 -18.023 5.446 1.964 1.00 0.84 H new ATOM 1079 N GLY A 77 -14.878 6.787 1.830 1.00 0.68 N ATOM 1080 CA GLY A 77 -14.047 7.611 2.692 1.00 0.71 C ATOM 1081 C GLY A 77 -12.651 7.795 2.094 1.00 0.63 C ATOM 1082 O GLY A 77 -12.460 7.624 0.891 1.00 0.68 O ATOM 0 H GLY A 77 -15.146 7.227 0.950 1.00 0.68 H new ATOM 0 HA2 GLY A 77 -14.517 8.584 2.834 1.00 0.71 H new ATOM 0 HA3 GLY A 77 -13.967 7.149 3.676 1.00 0.71 H new ATOM 1086 N THR A 78 -11.711 8.142 2.961 1.00 0.67 N ATOM 1087 CA THR A 78 -10.338 8.352 2.533 1.00 0.61 C ATOM 1088 C THR A 78 -9.406 7.357 3.227 1.00 0.59 C ATOM 1089 O THR A 78 -9.638 6.979 4.374 1.00 0.72 O ATOM 1090 CB THR A 78 -9.977 9.814 2.805 1.00 0.58 C ATOM 1091 OG1 THR A 78 -11.020 10.552 2.174 1.00 0.80 O ATOM 1092 CG2 THR A 78 -8.711 10.251 2.065 1.00 0.89 C ATOM 0 H THR A 78 -11.873 8.283 3.958 1.00 0.67 H new ATOM 0 HA THR A 78 -10.223 8.167 1.465 1.00 0.61 H new ATOM 0 HB THR A 78 -9.841 9.961 3.876 1.00 0.58 H new ATOM 0 HG1 THR A 78 -10.866 11.511 2.303 1.00 0.80 H new ATOM 0 HG21 THR A 78 -8.499 11.296 2.292 1.00 0.89 H new ATOM 0 HG22 THR A 78 -7.872 9.633 2.384 1.00 0.89 H new ATOM 0 HG23 THR A 78 -8.859 10.136 0.991 1.00 0.89 H new ATOM 1100 N TYR A 79 -8.371 6.961 2.502 1.00 0.56 N ATOM 1101 CA TYR A 79 -7.402 6.017 3.032 1.00 0.54 C ATOM 1102 C TYR A 79 -5.998 6.317 2.505 1.00 0.49 C ATOM 1103 O TYR A 79 -5.845 6.947 1.459 1.00 0.48 O ATOM 1104 CB TYR A 79 -7.838 4.639 2.531 1.00 0.66 C ATOM 1105 CG TYR A 79 -9.142 4.134 3.153 1.00 0.44 C ATOM 1106 CD1 TYR A 79 -10.347 4.698 2.780 1.00 1.76 C ATOM 1107 CD2 TYR A 79 -9.115 3.117 4.083 1.00 1.61 C ATOM 1108 CE1 TYR A 79 -11.574 4.223 3.365 1.00 1.59 C ATOM 1109 CE2 TYR A 79 -10.342 2.643 4.668 1.00 1.82 C ATOM 1110 CZ TYR A 79 -11.512 3.219 4.280 1.00 0.57 C ATOM 1111 OH TYR A 79 -12.671 2.771 4.832 1.00 0.81 O ATOM 0 H TYR A 79 -8.182 7.277 1.551 1.00 0.56 H new ATOM 0 HA TYR A 79 -7.366 6.075 4.120 1.00 0.54 H new ATOM 0 HB2 TYR A 79 -7.955 4.678 1.448 1.00 0.66 H new ATOM 0 HB3 TYR A 79 -7.046 3.920 2.740 1.00 0.66 H new ATOM 0 HD1 TYR A 79 -10.369 5.494 2.051 1.00 1.76 H new ATOM 0 HD2 TYR A 79 -8.173 2.676 4.373 1.00 1.61 H new ATOM 0 HE1 TYR A 79 -12.523 4.655 3.083 1.00 1.59 H new ATOM 0 HE2 TYR A 79 -10.334 1.848 5.399 1.00 1.82 H new ATOM 0 HH TYR A 79 -12.697 3.014 5.781 1.00 0.81 H new ATOM 1121 N LYS A 80 -5.007 5.854 3.254 1.00 0.53 N ATOM 1122 CA LYS A 80 -3.620 6.064 2.874 1.00 0.56 C ATOM 1123 C LYS A 80 -2.854 4.747 3.007 1.00 0.55 C ATOM 1124 O LYS A 80 -2.669 4.242 4.114 1.00 0.55 O ATOM 1125 CB LYS A 80 -3.014 7.214 3.681 1.00 0.63 C ATOM 1126 CG LYS A 80 -2.710 8.415 2.783 1.00 1.90 C ATOM 1127 CD LYS A 80 -3.201 9.716 3.422 1.00 3.56 C ATOM 1128 CE LYS A 80 -2.229 10.864 3.141 1.00 3.72 C ATOM 1129 NZ LYS A 80 -2.970 12.094 2.783 1.00 5.04 N ATOM 0 H LYS A 80 -5.137 5.334 4.122 1.00 0.53 H new ATOM 0 HA LYS A 80 -3.552 6.367 1.829 1.00 0.56 H new ATOM 0 HB2 LYS A 80 -3.704 7.512 4.471 1.00 0.63 H new ATOM 0 HB3 LYS A 80 -2.098 6.878 4.167 1.00 0.63 H new ATOM 0 HG2 LYS A 80 -1.637 8.477 2.603 1.00 1.90 H new ATOM 0 HG3 LYS A 80 -3.189 8.279 1.813 1.00 1.90 H new ATOM 0 HD2 LYS A 80 -4.188 9.967 3.033 1.00 3.56 H new ATOM 0 HD3 LYS A 80 -3.307 9.580 4.498 1.00 3.56 H new ATOM 0 HE2 LYS A 80 -1.610 11.048 4.019 1.00 3.72 H new ATOM 0 HE3 LYS A 80 -1.556 10.588 2.329 1.00 3.72 H new ATOM 0 HZ1 LYS A 80 -2.296 12.863 2.595 1.00 5.04 H new ATOM 0 HZ2 LYS A 80 -3.542 11.920 1.932 1.00 5.04 H new ATOM 0 HZ3 LYS A 80 -3.594 12.365 3.570 1.00 5.04 H new ATOM 1143 N VAL A 81 -2.428 4.229 1.865 1.00 0.55 N ATOM 1144 CA VAL A 81 -1.685 2.980 1.841 1.00 0.55 C ATOM 1145 C VAL A 81 -0.187 3.282 1.908 1.00 0.57 C ATOM 1146 O VAL A 81 0.390 3.797 0.952 1.00 0.66 O ATOM 1147 CB VAL A 81 -2.076 2.164 0.606 1.00 0.54 C ATOM 1148 CG1 VAL A 81 -1.317 0.835 0.567 1.00 0.59 C ATOM 1149 CG2 VAL A 81 -3.588 1.935 0.557 1.00 0.59 C ATOM 0 H VAL A 81 -2.583 4.651 0.949 1.00 0.55 H new ATOM 0 HA VAL A 81 -1.933 2.370 2.710 1.00 0.55 H new ATOM 0 HB VAL A 81 -1.796 2.736 -0.278 1.00 0.54 H new ATOM 0 HG11 VAL A 81 -1.612 0.273 -0.319 1.00 0.59 H new ATOM 0 HG12 VAL A 81 -0.245 1.029 0.534 1.00 0.59 H new ATOM 0 HG13 VAL A 81 -1.553 0.255 1.459 1.00 0.59 H new ATOM 0 HG21 VAL A 81 -3.839 1.353 -0.330 1.00 0.59 H new ATOM 0 HG22 VAL A 81 -3.903 1.392 1.448 1.00 0.59 H new ATOM 0 HG23 VAL A 81 -4.100 2.896 0.517 1.00 0.59 H new ATOM 1159 N ASP A 82 0.400 2.948 3.048 1.00 0.58 N ATOM 1160 CA ASP A 82 1.820 3.178 3.253 1.00 0.60 C ATOM 1161 C ASP A 82 2.565 1.843 3.168 1.00 0.63 C ATOM 1162 O ASP A 82 2.334 0.947 3.977 1.00 0.84 O ATOM 1163 CB ASP A 82 2.088 3.781 4.633 1.00 0.85 C ATOM 1164 CG ASP A 82 1.296 5.052 4.948 1.00 1.10 C ATOM 1165 OD1 ASP A 82 0.263 5.332 4.322 1.00 1.85 O ATOM 1166 OD2 ASP A 82 1.787 5.779 5.894 1.00 1.80 O ATOM 0 H ASP A 82 -0.082 2.520 3.839 1.00 0.58 H new ATOM 0 HA ASP A 82 2.164 3.871 2.485 1.00 0.60 H new ATOM 0 HB2 ASP A 82 1.860 3.032 5.391 1.00 0.85 H new ATOM 0 HB3 ASP A 82 3.152 4.004 4.715 1.00 0.85 H new ATOM 1171 N TRP A 83 3.443 1.754 2.180 1.00 0.52 N ATOM 1172 CA TRP A 83 4.223 0.546 1.979 1.00 0.66 C ATOM 1173 C TRP A 83 5.646 0.812 2.473 1.00 0.83 C ATOM 1174 O TRP A 83 6.119 1.947 2.431 1.00 0.69 O ATOM 1175 CB TRP A 83 4.173 0.098 0.517 1.00 0.64 C ATOM 1176 CG TRP A 83 4.401 1.228 -0.489 1.00 0.58 C ATOM 1177 CD1 TRP A 83 3.493 2.069 -1.005 1.00 0.65 C ATOM 1178 CD2 TRP A 83 5.659 1.610 -1.082 1.00 0.53 C ATOM 1179 NE1 TRP A 83 4.073 2.961 -1.884 1.00 0.59 N ATOM 1180 CE2 TRP A 83 5.431 2.673 -1.933 1.00 0.54 C ATOM 1181 CE3 TRP A 83 6.947 1.075 -0.908 1.00 0.58 C ATOM 1182 CZ2 TRP A 83 6.446 3.292 -2.675 1.00 0.62 C ATOM 1183 CZ3 TRP A 83 7.949 1.705 -1.656 1.00 0.71 C ATOM 1184 CH2 TRP A 83 7.737 2.775 -2.516 1.00 0.72 C ATOM 0 H TRP A 83 3.631 2.500 1.510 1.00 0.52 H new ATOM 0 HA TRP A 83 3.805 -0.281 2.552 1.00 0.66 H new ATOM 0 HB2 TRP A 83 4.927 -0.673 0.358 1.00 0.64 H new ATOM 0 HB3 TRP A 83 3.203 -0.359 0.321 1.00 0.64 H new ATOM 0 HD1 TRP A 83 2.441 2.051 -0.763 1.00 0.65 H new ATOM 0 HE1 TRP A 83 3.593 3.697 -2.402 1.00 0.59 H new ATOM 0 HE3 TRP A 83 7.148 0.243 -0.249 1.00 0.58 H new ATOM 0 HZ2 TRP A 83 6.243 4.123 -3.334 1.00 0.62 H new ATOM 0 HZ3 TRP A 83 8.958 1.333 -1.557 1.00 0.71 H new ATOM 0 HH2 TRP A 83 8.565 3.206 -3.060 1.00 0.72 H new ATOM 1195 N ARG A 84 6.289 -0.253 2.929 1.00 1.16 N ATOM 1196 CA ARG A 84 7.649 -0.147 3.431 1.00 1.38 C ATOM 1197 C ARG A 84 8.491 -1.324 2.933 1.00 1.59 C ATOM 1198 O ARG A 84 8.087 -2.479 3.059 1.00 1.62 O ATOM 1199 CB ARG A 84 7.671 -0.125 4.961 1.00 1.53 C ATOM 1200 CG ARG A 84 7.855 1.300 5.486 1.00 1.36 C ATOM 1201 CD ARG A 84 6.617 1.766 6.255 1.00 1.79 C ATOM 1202 NE ARG A 84 7.019 2.640 7.380 1.00 2.12 N ATOM 1203 CZ ARG A 84 7.718 2.217 8.455 1.00 2.43 C ATOM 1204 NH1 ARG A 84 8.097 0.926 8.561 1.00 2.72 N ATOM 1205 NH2 ARG A 84 8.023 3.085 9.401 1.00 3.41 N ATOM 0 H ARG A 84 5.894 -1.193 2.961 1.00 1.16 H new ATOM 0 HA ARG A 84 8.068 0.788 3.059 1.00 1.38 H new ATOM 0 HB2 ARG A 84 6.741 -0.542 5.348 1.00 1.53 H new ATOM 0 HB3 ARG A 84 8.480 -0.758 5.326 1.00 1.53 H new ATOM 0 HG2 ARG A 84 8.728 1.342 6.137 1.00 1.36 H new ATOM 0 HG3 ARG A 84 8.046 1.976 4.653 1.00 1.36 H new ATOM 0 HD2 ARG A 84 5.945 2.305 5.587 1.00 1.79 H new ATOM 0 HD3 ARG A 84 6.067 0.904 6.632 1.00 1.79 H new ATOM 0 HE ARG A 84 6.751 3.623 7.341 1.00 2.12 H new ATOM 0 HH11 ARG A 84 7.856 0.262 7.826 1.00 2.72 H new ATOM 0 HH12 ARG A 84 8.625 0.615 9.376 1.00 2.72 H new ATOM 0 HH21 ARG A 84 7.731 4.058 9.313 1.00 3.41 H new ATOM 0 HH22 ARG A 84 8.551 2.782 10.220 1.00 3.41 H new ATOM 1219 N ALA A 85 9.647 -0.989 2.377 1.00 1.78 N ATOM 1220 CA ALA A 85 10.549 -2.002 1.859 1.00 2.03 C ATOM 1221 C ALA A 85 11.811 -2.045 2.723 1.00 2.33 C ATOM 1222 O ALA A 85 12.666 -1.165 2.622 1.00 1.90 O ATOM 1223 CB ALA A 85 10.857 -1.710 0.389 1.00 2.07 C ATOM 0 H ALA A 85 9.979 -0.030 2.274 1.00 1.78 H new ATOM 0 HA ALA A 85 10.085 -2.987 1.904 1.00 2.03 H new ATOM 0 HB1 ALA A 85 11.534 -2.471 0.001 1.00 2.07 H new ATOM 0 HB2 ALA A 85 9.931 -1.721 -0.186 1.00 2.07 H new ATOM 0 HB3 ALA A 85 11.326 -0.730 0.303 1.00 2.07 H new ATOM 1229 N VAL A 86 11.890 -3.075 3.551 1.00 3.23 N ATOM 1230 CA VAL A 86 13.034 -3.242 4.431 1.00 3.63 C ATOM 1231 C VAL A 86 13.808 -4.497 4.021 1.00 4.32 C ATOM 1232 O VAL A 86 13.931 -5.438 4.802 1.00 5.58 O ATOM 1233 CB VAL A 86 12.572 -3.276 5.890 1.00 4.09 C ATOM 1234 CG1 VAL A 86 13.676 -3.816 6.802 1.00 5.04 C ATOM 1235 CG2 VAL A 86 12.107 -1.893 6.349 1.00 4.38 C ATOM 0 H VAL A 86 11.180 -3.803 3.632 1.00 3.23 H new ATOM 0 HA VAL A 86 13.714 -2.395 4.338 1.00 3.63 H new ATOM 0 HB VAL A 86 11.721 -3.954 5.958 1.00 4.09 H new ATOM 0 HG11 VAL A 86 13.322 -3.830 7.833 1.00 5.04 H new ATOM 0 HG12 VAL A 86 13.939 -4.828 6.495 1.00 5.04 H new ATOM 0 HG13 VAL A 86 14.555 -3.175 6.729 1.00 5.04 H new ATOM 0 HG21 VAL A 86 11.784 -1.944 7.389 1.00 4.38 H new ATOM 0 HG22 VAL A 86 12.930 -1.184 6.259 1.00 4.38 H new ATOM 0 HG23 VAL A 86 11.275 -1.564 5.726 1.00 4.38 H new ATOM 1245 N SER A 87 14.311 -4.469 2.795 1.00 3.79 N ATOM 1246 CA SER A 87 15.070 -5.591 2.271 1.00 4.49 C ATOM 1247 C SER A 87 16.548 -5.214 2.154 1.00 3.49 C ATOM 1248 O SER A 87 16.922 -4.068 2.398 1.00 3.81 O ATOM 1249 CB SER A 87 14.527 -6.037 0.911 1.00 5.45 C ATOM 1250 OG SER A 87 15.144 -7.239 0.459 1.00 6.43 O ATOM 0 H SER A 87 14.207 -3.686 2.150 1.00 3.79 H new ATOM 0 HA SER A 87 14.968 -6.426 2.964 1.00 4.49 H new ATOM 0 HB2 SER A 87 13.450 -6.187 0.982 1.00 5.45 H new ATOM 0 HB3 SER A 87 14.691 -5.247 0.178 1.00 5.45 H new ATOM 0 HG SER A 87 15.455 -7.121 -0.463 1.00 6.43 H new ATOM 1256 N SER A 88 17.350 -6.200 1.781 1.00 3.31 N ATOM 1257 CA SER A 88 18.779 -5.986 1.629 1.00 2.60 C ATOM 1258 C SER A 88 19.066 -5.302 0.292 1.00 2.64 C ATOM 1259 O SER A 88 18.228 -5.313 -0.609 1.00 4.01 O ATOM 1260 CB SER A 88 19.547 -7.307 1.725 1.00 3.87 C ATOM 1261 OG SER A 88 19.879 -7.635 3.071 1.00 4.83 O ATOM 0 H SER A 88 17.037 -7.150 1.579 1.00 3.31 H new ATOM 0 HA SER A 88 19.116 -5.341 2.440 1.00 2.60 H new ATOM 0 HB2 SER A 88 18.946 -8.108 1.294 1.00 3.87 H new ATOM 0 HB3 SER A 88 20.460 -7.240 1.133 1.00 3.87 H new ATOM 0 HG SER A 88 20.367 -8.485 3.090 1.00 4.83 H new ATOM 1267 N ASP A 89 20.254 -4.721 0.204 1.00 2.67 N ATOM 1268 CA ASP A 89 20.663 -4.032 -1.009 1.00 4.22 C ATOM 1269 C ASP A 89 19.511 -3.156 -1.504 1.00 5.17 C ATOM 1270 O ASP A 89 19.049 -3.311 -2.634 1.00 6.51 O ATOM 1271 CB ASP A 89 21.010 -5.028 -2.118 1.00 5.69 C ATOM 1272 CG ASP A 89 22.412 -5.633 -2.027 1.00 6.50 C ATOM 1273 OD1 ASP A 89 22.986 -5.574 -0.918 1.00 6.43 O ATOM 1274 OD2 ASP A 89 22.879 -6.142 -3.069 1.00 7.62 O ATOM 0 H ASP A 89 20.946 -4.713 0.953 1.00 2.67 H new ATOM 0 HA ASP A 89 21.542 -3.431 -0.776 1.00 4.22 H new ATOM 0 HB2 ASP A 89 20.280 -5.837 -2.101 1.00 5.69 H new ATOM 0 HB3 ASP A 89 20.908 -4.527 -3.081 1.00 5.69 H new ATOM 1279 N THR A 90 19.082 -2.252 -0.636 1.00 4.86 N ATOM 1280 CA THR A 90 17.993 -1.350 -0.971 1.00 6.01 C ATOM 1281 C THR A 90 17.762 -0.348 0.161 1.00 4.55 C ATOM 1282 O THR A 90 17.457 0.817 -0.089 1.00 4.80 O ATOM 1283 CB THR A 90 16.760 -2.196 -1.294 1.00 7.90 C ATOM 1284 OG1 THR A 90 15.750 -1.238 -1.599 1.00 8.96 O ATOM 1285 CG2 THR A 90 16.216 -2.930 -0.066 1.00 8.25 C ATOM 0 H THR A 90 19.469 -2.125 0.299 1.00 4.86 H new ATOM 0 HA THR A 90 18.233 -0.751 -1.849 1.00 6.01 H new ATOM 0 HB THR A 90 17.011 -2.920 -2.070 1.00 7.90 H new ATOM 0 HG1 THR A 90 14.916 -1.702 -1.822 1.00 8.96 H new ATOM 0 HG21 THR A 90 15.342 -3.516 -0.350 1.00 8.25 H new ATOM 0 HG22 THR A 90 16.984 -3.594 0.331 1.00 8.25 H new ATOM 0 HG23 THR A 90 15.934 -2.204 0.697 1.00 8.25 H new ATOM 1293 N HIS A 91 17.918 -0.838 1.383 1.00 3.83 N ATOM 1294 CA HIS A 91 17.731 0.001 2.555 1.00 2.96 C ATOM 1295 C HIS A 91 16.236 0.164 2.835 1.00 2.15 C ATOM 1296 O HIS A 91 15.400 -0.259 2.037 1.00 2.76 O ATOM 1297 CB HIS A 91 18.453 1.339 2.386 1.00 3.07 C ATOM 1298 CG HIS A 91 19.485 1.619 3.453 1.00 3.77 C ATOM 1299 ND1 HIS A 91 20.291 0.632 3.993 1.00 5.24 N ATOM 1300 CD2 HIS A 91 19.834 2.784 4.071 1.00 4.11 C ATOM 1301 CE1 HIS A 91 21.085 1.189 4.895 1.00 6.13 C ATOM 1302 NE2 HIS A 91 20.799 2.522 4.944 1.00 5.42 N ATOM 0 H HIS A 91 18.172 -1.805 1.586 1.00 3.83 H new ATOM 0 HA HIS A 91 18.178 -0.478 3.426 1.00 2.96 H new ATOM 0 HB2 HIS A 91 18.939 1.357 1.411 1.00 3.07 H new ATOM 0 HB3 HIS A 91 17.715 2.141 2.389 1.00 3.07 H new ATOM 0 HD1 HIS A 91 20.276 -0.356 3.740 1.00 5.24 H new ATOM 0 HD2 HIS A 91 19.399 3.754 3.882 1.00 4.11 H new ATOM 0 HE1 HIS A 91 21.829 0.677 5.488 1.00 6.13 H new ATOM 1310 N PRO A 92 15.935 0.797 4.001 1.00 1.36 N ATOM 1311 CA PRO A 92 14.556 1.023 4.397 1.00 1.55 C ATOM 1312 C PRO A 92 13.929 2.156 3.581 1.00 1.42 C ATOM 1313 O PRO A 92 14.257 3.324 3.781 1.00 1.56 O ATOM 1314 CB PRO A 92 14.618 1.326 5.885 1.00 2.14 C ATOM 1315 CG PRO A 92 16.059 1.717 6.171 1.00 2.14 C ATOM 1316 CD PRO A 92 16.899 1.313 4.970 1.00 1.72 C ATOM 0 HA PRO A 92 13.917 0.161 4.206 1.00 1.55 H new ATOM 0 HB2 PRO A 92 13.935 2.133 6.148 1.00 2.14 H new ATOM 0 HB3 PRO A 92 14.325 0.456 6.473 1.00 2.14 H new ATOM 0 HG2 PRO A 92 16.136 2.790 6.347 1.00 2.14 H new ATOM 0 HG3 PRO A 92 16.418 1.220 7.072 1.00 2.14 H new ATOM 0 HD2 PRO A 92 17.449 2.163 4.567 1.00 1.72 H new ATOM 0 HD3 PRO A 92 17.635 0.555 5.238 1.00 1.72 H new ATOM 1324 N ILE A 93 13.039 1.769 2.679 1.00 1.27 N ATOM 1325 CA ILE A 93 12.364 2.738 1.832 1.00 1.21 C ATOM 1326 C ILE A 93 10.905 2.866 2.273 1.00 1.17 C ATOM 1327 O ILE A 93 10.256 1.867 2.580 1.00 1.56 O ATOM 1328 CB ILE A 93 12.529 2.368 0.357 1.00 1.25 C ATOM 1329 CG1 ILE A 93 14.009 2.274 -0.022 1.00 1.74 C ATOM 1330 CG2 ILE A 93 11.768 3.343 -0.542 1.00 1.66 C ATOM 1331 CD1 ILE A 93 14.725 3.602 0.233 1.00 3.11 C ATOM 0 H ILE A 93 12.770 0.799 2.516 1.00 1.27 H new ATOM 0 HA ILE A 93 12.819 3.722 1.943 1.00 1.21 H new ATOM 0 HB ILE A 93 12.093 1.381 0.202 1.00 1.25 H new ATOM 0 HG12 ILE A 93 14.487 1.482 0.555 1.00 1.74 H new ATOM 0 HG13 ILE A 93 14.102 2.002 -1.073 1.00 1.74 H new ATOM 0 HG21 ILE A 93 11.902 3.057 -1.585 1.00 1.66 H new ATOM 0 HG22 ILE A 93 10.707 3.316 -0.292 1.00 1.66 H new ATOM 0 HG23 ILE A 93 12.151 4.352 -0.391 1.00 1.66 H new ATOM 0 HD11 ILE A 93 15.775 3.508 -0.044 1.00 3.11 H new ATOM 0 HD12 ILE A 93 14.260 4.386 -0.364 1.00 3.11 H new ATOM 0 HD13 ILE A 93 14.650 3.858 1.290 1.00 3.11 H new ATOM 1343 N THR A 94 10.432 4.103 2.294 1.00 0.84 N ATOM 1344 CA THR A 94 9.061 4.374 2.693 1.00 0.86 C ATOM 1345 C THR A 94 8.257 4.909 1.508 1.00 0.61 C ATOM 1346 O THR A 94 8.807 5.564 0.624 1.00 0.58 O ATOM 1347 CB THR A 94 9.097 5.333 3.885 1.00 1.06 C ATOM 1348 OG1 THR A 94 9.800 6.472 3.393 1.00 0.97 O ATOM 1349 CG2 THR A 94 9.976 4.817 5.026 1.00 1.36 C ATOM 0 H THR A 94 10.974 4.929 2.041 1.00 0.84 H new ATOM 0 HA THR A 94 8.552 3.462 3.005 1.00 0.86 H new ATOM 0 HB THR A 94 8.083 5.493 4.252 1.00 1.06 H new ATOM 0 HG1 THR A 94 9.868 7.146 4.101 1.00 0.97 H new ATOM 0 HG21 THR A 94 9.966 5.535 5.846 1.00 1.36 H new ATOM 0 HG22 THR A 94 9.591 3.860 5.377 1.00 1.36 H new ATOM 0 HG23 THR A 94 10.998 4.688 4.669 1.00 1.36 H new ATOM 1357 N GLY A 95 6.966 4.611 1.527 1.00 0.59 N ATOM 1358 CA GLY A 95 6.079 5.052 0.464 1.00 0.44 C ATOM 1359 C GLY A 95 4.639 5.174 0.967 1.00 0.53 C ATOM 1360 O GLY A 95 4.247 4.490 1.911 1.00 0.80 O ATOM 0 H GLY A 95 6.513 4.069 2.263 1.00 0.59 H new ATOM 0 HA2 GLY A 95 6.417 6.015 0.080 1.00 0.44 H new ATOM 0 HA3 GLY A 95 6.120 4.346 -0.365 1.00 0.44 H new ATOM 1364 N SER A 96 3.891 6.051 0.312 1.00 0.50 N ATOM 1365 CA SER A 96 2.502 6.271 0.681 1.00 0.71 C ATOM 1366 C SER A 96 1.664 6.539 -0.571 1.00 0.58 C ATOM 1367 O SER A 96 2.125 7.200 -1.500 1.00 0.56 O ATOM 1368 CB SER A 96 2.372 7.435 1.666 1.00 1.03 C ATOM 1369 OG SER A 96 3.639 8.001 1.994 1.00 1.42 O ATOM 0 H SER A 96 4.220 6.617 -0.471 1.00 0.50 H new ATOM 0 HA SER A 96 2.132 5.371 1.172 1.00 0.71 H new ATOM 0 HB2 SER A 96 1.732 8.205 1.235 1.00 1.03 H new ATOM 0 HB3 SER A 96 1.884 7.087 2.576 1.00 1.03 H new ATOM 0 HG SER A 96 3.513 8.742 2.623 1.00 1.42 H new ATOM 1375 N VAL A 97 0.449 6.011 -0.555 1.00 0.57 N ATOM 1376 CA VAL A 97 -0.457 6.186 -1.677 1.00 0.46 C ATOM 1377 C VAL A 97 -1.859 6.499 -1.152 1.00 0.47 C ATOM 1378 O VAL A 97 -2.552 5.612 -0.655 1.00 0.47 O ATOM 1379 CB VAL A 97 -0.418 4.949 -2.578 1.00 0.42 C ATOM 1380 CG1 VAL A 97 -0.933 5.276 -3.981 1.00 0.64 C ATOM 1381 CG2 VAL A 97 0.991 4.357 -2.634 1.00 0.55 C ATOM 0 H VAL A 97 0.071 5.462 0.217 1.00 0.57 H new ATOM 0 HA VAL A 97 -0.145 7.030 -2.292 1.00 0.46 H new ATOM 0 HB VAL A 97 -1.080 4.198 -2.146 1.00 0.42 H new ATOM 0 HG11 VAL A 97 -0.895 4.380 -4.601 1.00 0.64 H new ATOM 0 HG12 VAL A 97 -1.962 5.630 -3.918 1.00 0.64 H new ATOM 0 HG13 VAL A 97 -0.310 6.052 -4.426 1.00 0.64 H new ATOM 0 HG21 VAL A 97 0.992 3.479 -3.280 1.00 0.55 H new ATOM 0 HG22 VAL A 97 1.682 5.100 -3.031 1.00 0.55 H new ATOM 0 HG23 VAL A 97 1.305 4.069 -1.631 1.00 0.55 H new ATOM 1391 N THR A 98 -2.236 7.762 -1.278 1.00 0.51 N ATOM 1392 CA THR A 98 -3.543 8.204 -0.822 1.00 0.55 C ATOM 1393 C THR A 98 -4.598 7.951 -1.900 1.00 0.47 C ATOM 1394 O THR A 98 -4.315 8.078 -3.091 1.00 0.49 O ATOM 1395 CB THR A 98 -3.430 9.674 -0.414 1.00 0.73 C ATOM 1396 OG1 THR A 98 -4.621 9.920 0.331 1.00 0.81 O ATOM 1397 CG2 THR A 98 -3.536 10.622 -1.609 1.00 0.78 C ATOM 0 H THR A 98 -1.658 8.495 -1.690 1.00 0.51 H new ATOM 0 HA THR A 98 -3.871 7.635 0.048 1.00 0.55 H new ATOM 0 HB THR A 98 -2.481 9.837 0.096 1.00 0.73 H new ATOM 0 HG1 THR A 98 -4.629 10.851 0.636 1.00 0.81 H new ATOM 0 HG21 THR A 98 -3.450 11.653 -1.265 1.00 0.78 H new ATOM 0 HG22 THR A 98 -2.735 10.407 -2.316 1.00 0.78 H new ATOM 0 HG23 THR A 98 -4.499 10.483 -2.099 1.00 0.78 H new ATOM 1405 N PHE A 99 -5.791 7.598 -1.446 1.00 0.47 N ATOM 1406 CA PHE A 99 -6.889 7.327 -2.358 1.00 0.43 C ATOM 1407 C PHE A 99 -8.236 7.433 -1.640 1.00 0.45 C ATOM 1408 O PHE A 99 -8.329 7.166 -0.443 1.00 0.45 O ATOM 1409 CB PHE A 99 -6.706 5.894 -2.865 1.00 0.40 C ATOM 1410 CG PHE A 99 -7.114 4.820 -1.855 1.00 0.38 C ATOM 1411 CD1 PHE A 99 -6.228 4.402 -0.911 1.00 1.79 C ATOM 1412 CD2 PHE A 99 -8.362 4.282 -1.902 1.00 1.71 C ATOM 1413 CE1 PHE A 99 -6.608 3.405 0.026 1.00 1.80 C ATOM 1414 CE2 PHE A 99 -8.742 3.285 -0.965 1.00 1.71 C ATOM 1415 CZ PHE A 99 -7.856 2.867 -0.020 1.00 0.39 C ATOM 0 H PHE A 99 -6.022 7.493 -0.458 1.00 0.47 H new ATOM 0 HA PHE A 99 -6.884 8.051 -3.173 1.00 0.43 H new ATOM 0 HB2 PHE A 99 -7.292 5.764 -3.775 1.00 0.40 H new ATOM 0 HB3 PHE A 99 -5.660 5.746 -3.135 1.00 0.40 H new ATOM 0 HD1 PHE A 99 -5.236 4.828 -0.874 1.00 1.79 H new ATOM 0 HD2 PHE A 99 -9.065 4.613 -2.652 1.00 1.71 H new ATOM 0 HE1 PHE A 99 -5.905 3.074 0.776 1.00 1.80 H new ATOM 0 HE2 PHE A 99 -9.734 2.859 -1.002 1.00 1.71 H new ATOM 0 HZ PHE A 99 -8.144 2.109 0.693 1.00 0.39 H new ATOM 1425 N LYS A 100 -9.248 7.823 -2.402 1.00 0.51 N ATOM 1426 CA LYS A 100 -10.585 7.967 -1.855 1.00 0.58 C ATOM 1427 C LYS A 100 -11.434 6.764 -2.269 1.00 0.61 C ATOM 1428 O LYS A 100 -11.038 5.989 -3.138 1.00 0.64 O ATOM 1429 CB LYS A 100 -11.188 9.314 -2.260 1.00 0.72 C ATOM 1430 CG LYS A 100 -10.475 10.469 -1.553 1.00 0.75 C ATOM 1431 CD LYS A 100 -11.333 11.735 -1.572 1.00 1.46 C ATOM 1432 CE LYS A 100 -10.610 12.897 -0.887 1.00 1.58 C ATOM 1433 NZ LYS A 100 -11.216 14.189 -1.281 1.00 2.42 N ATOM 0 H LYS A 100 -9.168 8.044 -3.395 1.00 0.51 H new ATOM 0 HA LYS A 100 -10.551 7.974 -0.766 1.00 0.58 H new ATOM 0 HB2 LYS A 100 -11.111 9.441 -3.340 1.00 0.72 H new ATOM 0 HB3 LYS A 100 -12.249 9.331 -2.012 1.00 0.72 H new ATOM 0 HG2 LYS A 100 -10.255 10.189 -0.523 1.00 0.75 H new ATOM 0 HG3 LYS A 100 -9.520 10.665 -2.041 1.00 0.75 H new ATOM 0 HD2 LYS A 100 -11.568 12.004 -2.602 1.00 1.46 H new ATOM 0 HD3 LYS A 100 -12.281 11.544 -1.069 1.00 1.46 H new ATOM 0 HE2 LYS A 100 -10.663 12.779 0.195 1.00 1.58 H new ATOM 0 HE3 LYS A 100 -9.554 12.886 -1.157 1.00 1.58 H new ATOM 0 HZ1 LYS A 100 -10.714 14.967 -0.807 1.00 2.42 H new ATOM 0 HZ2 LYS A 100 -11.143 14.307 -2.312 1.00 2.42 H new ATOM 0 HZ3 LYS A 100 -12.217 14.202 -1.001 1.00 2.42 H new ATOM 1447 N VAL A 101 -12.588 6.644 -1.627 1.00 0.66 N ATOM 1448 CA VAL A 101 -13.496 5.549 -1.918 1.00 0.74 C ATOM 1449 C VAL A 101 -14.933 6.073 -1.931 1.00 0.91 C ATOM 1450 O VAL A 101 -15.397 6.646 -0.946 1.00 0.89 O ATOM 1451 CB VAL A 101 -13.283 4.411 -0.917 1.00 0.60 C ATOM 1452 CG1 VAL A 101 -14.110 3.183 -1.297 1.00 0.93 C ATOM 1453 CG2 VAL A 101 -11.799 4.057 -0.798 1.00 0.53 C ATOM 0 H VAL A 101 -12.914 7.288 -0.906 1.00 0.66 H new ATOM 0 HA VAL A 101 -13.292 5.137 -2.906 1.00 0.74 H new ATOM 0 HB VAL A 101 -13.626 4.755 0.059 1.00 0.60 H new ATOM 0 HG11 VAL A 101 -13.939 2.390 -0.569 1.00 0.93 H new ATOM 0 HG12 VAL A 101 -15.168 3.446 -1.307 1.00 0.93 H new ATOM 0 HG13 VAL A 101 -13.813 2.837 -2.287 1.00 0.93 H new ATOM 0 HG21 VAL A 101 -11.675 3.246 -0.081 1.00 0.53 H new ATOM 0 HG22 VAL A 101 -11.421 3.742 -1.771 1.00 0.53 H new ATOM 0 HG23 VAL A 101 -11.243 4.930 -0.458 1.00 0.53 H new ATOM 1463 N LYS A 102 -15.598 5.856 -3.056 1.00 1.13 N ATOM 1464 CA LYS A 102 -16.974 6.300 -3.209 1.00 1.32 C ATOM 1465 C LYS A 102 -17.837 5.122 -3.665 1.00 1.58 C ATOM 1466 O LYS A 102 -17.871 4.082 -3.009 1.00 2.72 O ATOM 1467 CB LYS A 102 -17.045 7.511 -4.141 1.00 1.22 C ATOM 1468 CG LYS A 102 -16.068 8.603 -3.698 1.00 1.10 C ATOM 1469 CD LYS A 102 -16.755 9.612 -2.776 1.00 1.39 C ATOM 1470 CE LYS A 102 -16.643 11.032 -3.337 1.00 1.71 C ATOM 1471 NZ LYS A 102 -16.196 11.971 -2.285 1.00 2.16 N ATOM 1472 OXT LYS A 102 -18.827 4.786 -3.018 1.00 1.45 O ATOM 0 H LYS A 102 -15.210 5.379 -3.870 1.00 1.13 H new ATOM 0 HA LYS A 102 -17.374 6.638 -2.253 1.00 1.32 H new ATOM 0 HB2 LYS A 102 -16.814 7.203 -5.161 1.00 1.22 H new ATOM 0 HB3 LYS A 102 -18.060 7.908 -4.150 1.00 1.22 H new ATOM 0 HG2 LYS A 102 -15.221 8.151 -3.182 1.00 1.10 H new ATOM 0 HG3 LYS A 102 -15.670 9.117 -4.573 1.00 1.10 H new ATOM 0 HD2 LYS A 102 -17.805 9.346 -2.658 1.00 1.39 H new ATOM 0 HD3 LYS A 102 -16.302 9.572 -1.785 1.00 1.39 H new ATOM 0 HE2 LYS A 102 -15.939 11.046 -4.169 1.00 1.71 H new ATOM 0 HE3 LYS A 102 -17.608 11.351 -3.731 1.00 1.71 H new ATOM 0 HZ1 LYS A 102 -16.125 12.929 -2.682 1.00 2.16 H new ATOM 0 HZ2 LYS A 102 -16.883 11.970 -1.504 1.00 2.16 H new ATOM 0 HZ3 LYS A 102 -15.265 11.675 -1.928 1.00 2.16 H new TER 1486 LYS A 102 HETATM 1487 CU CU A 103 18.449 0.053 -3.741 1.00 1.96 CU