USER MOD reduce.3.24.130724 H: found=0, std=0, add=806, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 805 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 31 TYR OH : rot 171:sc= 0.237 USER MOD Set 1.2: A 79 TYR OH : rot 122:sc= 1.78 USER MOD Set 1.3: A 103 LYS NZ :NH3+ -143:sc= 0.514 (180deg=-0.381) USER MOD Set 2.1: A 78 GLN :FLIP amide:sc= -0.0335 F(o=-3.8,f=-1.5) USER MOD Set 2.2: A 100 ASN :FLIP amide:sc= -1.51 F(o=-3,f=-1.5) USER MOD Set 3.1: A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 75 CYS SG : rot 180:sc= 0.0949 USER MOD Set 4.1: A 29 THR OG1 : rot -142:sc= -0.264 USER MOD Set 4.2: A 43 THR OG1 : rot 180:sc= 0.232 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 CYS SG : rot 180:sc= 0.00116 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -0.142! C(o=-0.14!,f=-1.3!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot -75:sc= 1.2 USER MOD Single : A 39 TYR OH : rot 15:sc= -0.0228 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.0468 USER MOD Single : A 57 TYR OH : rot -40:sc= 0.378 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0435) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 HIS : no HD1:sc= -1.11 K(o=-1.1,f=-2) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= 0 X(o=0,f=-0.082) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot -66:sc= 1.63 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ -121:sc= 0.377 (180deg=-0.0787) USER MOD Single : A 89 MET CE :methyl 150:sc= -0.326 (180deg=-0.947) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 ASN : amide:sc= -2.69! C(o=-2.7!,f=-3.1!) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ -170:sc= 0.199 (180deg=0.172) USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 ASN : amide:sc= 0.893 K(o=0.89,f=0) USER MOD ----------------------------------------------------------------- ATOM 59 N LYS A 6 16.707 -3.766 -0.746 1.00 3.20 N ATOM 60 CA LYS A 6 16.563 -2.360 -0.387 1.00 42.31 C ATOM 61 C LYS A 6 15.266 -1.817 -0.956 1.00 51.04 C ATOM 62 O LYS A 6 14.648 -2.417 -1.836 1.00 41.23 O ATOM 63 CB LYS A 6 17.751 -1.515 -0.874 1.00 31.53 C ATOM 64 CG LYS A 6 19.034 -1.745 -0.060 1.00 10.31 C ATOM 65 CD LYS A 6 19.870 -0.459 -0.011 1.00 53.14 C ATOM 66 CE LYS A 6 21.362 -0.718 0.186 1.00 63.24 C ATOM 67 NZ LYS A 6 22.071 -0.747 -1.108 1.00 62.51 N ATOM 0 HA LYS A 6 16.544 -2.295 0.701 1.00 42.31 H new ATOM 0 HB2 LYS A 6 17.947 -1.746 -1.921 1.00 31.53 H new ATOM 0 HB3 LYS A 6 17.482 -0.460 -0.825 1.00 31.53 H new ATOM 0 HG2 LYS A 6 18.779 -2.060 0.952 1.00 10.31 H new ATOM 0 HG3 LYS A 6 19.618 -2.550 -0.507 1.00 10.31 H new ATOM 0 HD2 LYS A 6 19.724 0.097 -0.937 1.00 53.14 H new ATOM 0 HD3 LYS A 6 19.507 0.172 0.801 1.00 53.14 H new ATOM 0 HE2 LYS A 6 21.789 0.059 0.821 1.00 63.24 H new ATOM 0 HE3 LYS A 6 21.504 -1.667 0.704 1.00 63.24 H new ATOM 0 HZ1 LYS A 6 23.083 -0.925 -0.946 1.00 62.51 H new ATOM 0 HZ2 LYS A 6 21.678 -1.504 -1.702 1.00 62.51 H new ATOM 0 HZ3 LYS A 6 21.953 0.167 -1.589 1.00 62.51 H new ATOM 81 N VAL A 7 14.891 -0.657 -0.435 1.00 62.23 N ATOM 82 CA VAL A 7 13.789 0.146 -0.895 1.00 21.51 C ATOM 83 C VAL A 7 14.145 0.653 -2.293 1.00 43.31 C ATOM 84 O VAL A 7 14.970 1.555 -2.463 1.00 32.32 O ATOM 85 CB VAL A 7 13.476 1.197 0.184 1.00 23.42 C ATOM 86 CG1 VAL A 7 14.682 2.030 0.652 1.00 14.01 C ATOM 87 CG2 VAL A 7 12.350 2.144 -0.251 1.00 30.41 C ATOM 0 H VAL A 7 15.377 -0.238 0.358 1.00 62.23 H new ATOM 0 HA VAL A 7 12.850 -0.393 -1.021 1.00 21.51 H new ATOM 0 HB VAL A 7 13.158 0.600 1.039 1.00 23.42 H new ATOM 0 HG11 VAL A 7 14.360 2.742 1.412 1.00 14.01 H new ATOM 0 HG12 VAL A 7 15.440 1.369 1.072 1.00 14.01 H new ATOM 0 HG13 VAL A 7 15.102 2.570 -0.196 1.00 14.01 H new ATOM 0 HG21 VAL A 7 12.160 2.871 0.539 1.00 30.41 H new ATOM 0 HG22 VAL A 7 12.645 2.666 -1.161 1.00 30.41 H new ATOM 0 HG23 VAL A 7 11.444 1.569 -0.440 1.00 30.41 H new ATOM 97 N GLU A 8 13.561 -0.012 -3.283 1.00 14.34 N ATOM 98 CA GLU A 8 13.798 0.181 -4.707 1.00 34.31 C ATOM 99 C GLU A 8 12.514 0.684 -5.359 1.00 63.23 C ATOM 100 O GLU A 8 11.425 0.215 -5.017 1.00 45.41 O ATOM 101 CB GLU A 8 14.228 -1.166 -5.323 1.00 70.24 C ATOM 102 CG GLU A 8 15.743 -1.395 -5.241 1.00 11.01 C ATOM 103 CD GLU A 8 16.492 -0.328 -6.044 1.00 62.14 C ATOM 104 OE1 GLU A 8 16.265 -0.237 -7.269 1.00 64.44 O ATOM 105 OE2 GLU A 8 17.189 0.519 -5.438 1.00 3.42 O ATOM 0 H GLU A 8 12.871 -0.741 -3.102 1.00 14.34 H new ATOM 0 HA GLU A 8 14.586 0.916 -4.871 1.00 34.31 H new ATOM 0 HB2 GLU A 8 13.713 -1.977 -4.809 1.00 70.24 H new ATOM 0 HB3 GLU A 8 13.915 -1.201 -6.366 1.00 70.24 H new ATOM 0 HG2 GLU A 8 16.065 -1.367 -4.200 1.00 11.01 H new ATOM 0 HG3 GLU A 8 15.988 -2.386 -5.624 1.00 11.01 H new ATOM 112 N ILE A 9 12.631 1.620 -6.306 1.00 25.24 N ATOM 113 CA ILE A 9 11.481 2.170 -7.009 1.00 54.45 C ATOM 114 C ILE A 9 10.718 1.056 -7.739 1.00 23.01 C ATOM 115 O ILE A 9 9.519 0.913 -7.477 1.00 53.11 O ATOM 116 CB ILE A 9 11.860 3.375 -7.913 1.00 62.31 C ATOM 117 CG1 ILE A 9 12.015 4.680 -7.104 1.00 41.45 C ATOM 118 CG2 ILE A 9 10.784 3.691 -8.966 1.00 33.44 C ATOM 119 CD1 ILE A 9 13.125 4.646 -6.063 1.00 14.21 C ATOM 0 H ILE A 9 13.525 2.013 -6.602 1.00 25.24 H new ATOM 0 HA ILE A 9 10.794 2.589 -6.274 1.00 54.45 H new ATOM 0 HB ILE A 9 12.796 3.069 -8.381 1.00 62.31 H new ATOM 0 HG12 ILE A 9 12.206 5.501 -7.795 1.00 41.45 H new ATOM 0 HG13 ILE A 9 11.071 4.898 -6.604 1.00 41.45 H new ATOM 0 HG21 ILE A 9 11.103 4.542 -9.568 1.00 33.44 H new ATOM 0 HG22 ILE A 9 10.640 2.824 -9.610 1.00 33.44 H new ATOM 0 HG23 ILE A 9 9.846 3.932 -8.466 1.00 33.44 H new ATOM 0 HD11 ILE A 9 13.164 5.602 -5.541 1.00 14.21 H new ATOM 0 HD12 ILE A 9 12.927 3.849 -5.346 1.00 14.21 H new ATOM 0 HD13 ILE A 9 14.080 4.462 -6.555 1.00 14.21 H new ATOM 131 N PRO A 10 11.337 0.271 -8.646 1.00 62.03 N ATOM 132 CA PRO A 10 10.577 -0.619 -9.514 1.00 61.21 C ATOM 133 C PRO A 10 9.958 -1.790 -8.747 1.00 54.31 C ATOM 134 O PRO A 10 8.957 -2.347 -9.199 1.00 74.41 O ATOM 135 CB PRO A 10 11.564 -1.084 -10.585 1.00 61.22 C ATOM 136 CG PRO A 10 12.918 -1.002 -9.890 1.00 24.22 C ATOM 137 CD PRO A 10 12.752 0.230 -9.007 1.00 13.14 C ATOM 0 HA PRO A 10 9.724 -0.106 -9.957 1.00 61.21 H new ATOM 0 HB2 PRO A 10 11.345 -2.099 -10.917 1.00 61.22 H new ATOM 0 HB3 PRO A 10 11.528 -0.445 -11.467 1.00 61.22 H new ATOM 0 HG2 PRO A 10 13.130 -1.897 -9.305 1.00 24.22 H new ATOM 0 HG3 PRO A 10 13.735 -0.886 -10.602 1.00 24.22 H new ATOM 0 HD2 PRO A 10 13.381 0.163 -8.119 1.00 13.14 H new ATOM 0 HD3 PRO A 10 13.047 1.135 -9.538 1.00 13.14 H new ATOM 145 N GLN A 11 10.500 -2.147 -7.578 1.00 20.31 N ATOM 146 CA GLN A 11 9.935 -3.199 -6.741 1.00 71.31 C ATOM 147 C GLN A 11 8.633 -2.761 -6.067 1.00 71.21 C ATOM 148 O GLN A 11 7.899 -3.624 -5.591 1.00 75.24 O ATOM 149 CB GLN A 11 10.970 -3.690 -5.719 1.00 2.24 C ATOM 150 CG GLN A 11 11.740 -4.939 -6.188 1.00 12.33 C ATOM 151 CD GLN A 11 12.493 -4.780 -7.505 1.00 4.52 C ATOM 152 OE1 GLN A 11 11.892 -4.826 -8.578 1.00 44.54 O ATOM 153 NE2 GLN A 11 13.808 -4.659 -7.455 1.00 51.33 N ATOM 0 H GLN A 11 11.339 -1.714 -7.191 1.00 20.31 H new ATOM 0 HA GLN A 11 9.678 -4.037 -7.389 1.00 71.31 H new ATOM 0 HB2 GLN A 11 11.680 -2.888 -5.517 1.00 2.24 H new ATOM 0 HB3 GLN A 11 10.465 -3.914 -4.779 1.00 2.24 H new ATOM 0 HG2 GLN A 11 12.452 -5.220 -5.412 1.00 12.33 H new ATOM 0 HG3 GLN A 11 11.035 -5.765 -6.288 1.00 12.33 H new ATOM 0 HE21 GLN A 11 14.283 -4.623 -6.553 1.00 51.33 H new ATOM 0 HE22 GLN A 11 14.348 -4.601 -8.318 1.00 51.33 H new ATOM 162 N LEU A 12 8.292 -1.467 -6.038 1.00 52.14 N ATOM 163 CA LEU A 12 6.978 -1.047 -5.557 1.00 32.33 C ATOM 164 C LEU A 12 5.878 -1.539 -6.500 1.00 60.21 C ATOM 165 O LEU A 12 4.844 -1.990 -6.012 1.00 44.42 O ATOM 166 CB LEU A 12 6.913 0.491 -5.449 1.00 73.23 C ATOM 167 CG LEU A 12 5.580 1.017 -4.865 1.00 21.10 C ATOM 168 CD1 LEU A 12 5.531 0.833 -3.342 1.00 23.43 C ATOM 169 CD2 LEU A 12 5.380 2.498 -5.199 1.00 5.54 C ATOM 0 H LEU A 12 8.900 -0.705 -6.338 1.00 52.14 H new ATOM 0 HA LEU A 12 6.822 -1.484 -4.571 1.00 32.33 H new ATOM 0 HB2 LEU A 12 7.736 0.838 -4.823 1.00 73.23 H new ATOM 0 HB3 LEU A 12 7.061 0.923 -6.439 1.00 73.23 H new ATOM 0 HG LEU A 12 4.778 0.435 -5.320 1.00 21.10 H new ATOM 0 HD11 LEU A 12 4.583 1.212 -2.960 1.00 23.43 H new ATOM 0 HD12 LEU A 12 5.623 -0.226 -3.100 1.00 23.43 H new ATOM 0 HD13 LEU A 12 6.353 1.382 -2.883 1.00 23.43 H new ATOM 0 HD21 LEU A 12 4.436 2.842 -4.777 1.00 5.54 H new ATOM 0 HD22 LEU A 12 6.199 3.080 -4.777 1.00 5.54 H new ATOM 0 HD23 LEU A 12 5.362 2.628 -6.281 1.00 5.54 H new ATOM 181 N VAL A 13 6.105 -1.425 -7.813 1.00 60.14 N ATOM 182 CA VAL A 13 5.108 -1.387 -8.890 1.00 55.35 C ATOM 183 C VAL A 13 4.175 -2.606 -8.916 1.00 4.23 C ATOM 184 O VAL A 13 3.088 -2.530 -9.484 1.00 71.34 O ATOM 185 CB VAL A 13 5.855 -1.184 -10.235 1.00 41.22 C ATOM 186 CG1 VAL A 13 4.940 -1.137 -11.468 1.00 33.40 C ATOM 187 CG2 VAL A 13 6.677 0.118 -10.192 1.00 54.23 C ATOM 0 H VAL A 13 7.055 -1.352 -8.177 1.00 60.14 H new ATOM 0 HA VAL A 13 4.436 -0.549 -8.707 1.00 55.35 H new ATOM 0 HB VAL A 13 6.494 -2.060 -10.343 1.00 41.22 H new ATOM 0 HG11 VAL A 13 5.544 -0.993 -12.364 1.00 33.40 H new ATOM 0 HG12 VAL A 13 4.390 -2.074 -11.549 1.00 33.40 H new ATOM 0 HG13 VAL A 13 4.236 -0.311 -11.368 1.00 33.40 H new ATOM 0 HG21 VAL A 13 7.197 0.251 -11.140 1.00 54.23 H new ATOM 0 HG22 VAL A 13 6.011 0.964 -10.022 1.00 54.23 H new ATOM 0 HG23 VAL A 13 7.406 0.062 -9.383 1.00 54.23 H new ATOM 197 N GLY A 14 4.583 -3.719 -8.317 1.00 71.22 N ATOM 198 CA GLY A 14 3.812 -4.938 -8.231 1.00 62.23 C ATOM 199 C GLY A 14 2.673 -4.880 -7.220 1.00 74.43 C ATOM 200 O GLY A 14 2.037 -3.854 -6.972 1.00 53.54 O ATOM 0 H GLY A 14 5.494 -3.792 -7.864 1.00 71.22 H new ATOM 0 HA2 GLY A 14 3.400 -5.166 -9.214 1.00 62.23 H new ATOM 0 HA3 GLY A 14 4.478 -5.759 -7.966 1.00 62.23 H new ATOM 204 N LYS A 15 2.374 -6.061 -6.688 1.00 0.11 N ATOM 205 CA LYS A 15 1.112 -6.410 -6.058 1.00 12.21 C ATOM 206 C LYS A 15 1.347 -6.839 -4.616 1.00 52.53 C ATOM 207 O LYS A 15 2.341 -7.515 -4.335 1.00 4.52 O ATOM 208 CB LYS A 15 0.435 -7.480 -6.930 1.00 4.13 C ATOM 209 CG LYS A 15 1.292 -8.730 -7.222 1.00 34.00 C ATOM 210 CD LYS A 15 0.523 -9.695 -8.135 1.00 2.50 C ATOM 211 CE LYS A 15 0.648 -9.209 -9.582 1.00 23.13 C ATOM 212 NZ LYS A 15 -0.412 -9.724 -10.462 1.00 14.43 N ATOM 0 H LYS A 15 3.039 -6.835 -6.686 1.00 0.11 H new ATOM 0 HA LYS A 15 0.438 -5.556 -5.996 1.00 12.21 H new ATOM 0 HB2 LYS A 15 -0.485 -7.797 -6.439 1.00 4.13 H new ATOM 0 HB3 LYS A 15 0.150 -7.025 -7.879 1.00 4.13 H new ATOM 0 HG2 LYS A 15 2.228 -8.436 -7.697 1.00 34.00 H new ATOM 0 HG3 LYS A 15 1.551 -9.229 -6.288 1.00 34.00 H new ATOM 0 HD2 LYS A 15 0.923 -10.704 -8.040 1.00 2.50 H new ATOM 0 HD3 LYS A 15 -0.526 -9.739 -7.841 1.00 2.50 H new ATOM 0 HE2 LYS A 15 0.624 -8.119 -9.595 1.00 23.13 H new ATOM 0 HE3 LYS A 15 1.618 -9.512 -9.977 1.00 23.13 H new ATOM 0 HZ1 LYS A 15 -0.271 -9.359 -11.426 1.00 14.43 H new ATOM 0 HZ2 LYS A 15 -0.377 -10.763 -10.477 1.00 14.43 H new ATOM 0 HZ3 LYS A 15 -1.339 -9.414 -10.107 1.00 14.43 H new ATOM 226 N TRP A 16 0.457 -6.447 -3.705 1.00 15.21 N ATOM 227 CA TRP A 16 0.728 -6.385 -2.275 1.00 41.24 C ATOM 228 C TRP A 16 -0.540 -6.647 -1.468 1.00 30.00 C ATOM 229 O TRP A 16 -1.417 -5.789 -1.377 1.00 73.44 O ATOM 230 CB TRP A 16 1.299 -5.008 -1.940 1.00 70.03 C ATOM 231 CG TRP A 16 2.609 -4.712 -2.569 1.00 23.31 C ATOM 232 CD1 TRP A 16 2.824 -4.022 -3.707 1.00 4.11 C ATOM 233 CD2 TRP A 16 3.905 -5.144 -2.099 1.00 74.34 C ATOM 234 NE1 TRP A 16 4.181 -3.918 -3.929 1.00 10.12 N ATOM 235 CE2 TRP A 16 4.895 -4.640 -2.988 1.00 4.12 C ATOM 236 CE3 TRP A 16 4.314 -5.952 -1.023 1.00 24.14 C ATOM 237 CZ2 TRP A 16 6.253 -4.929 -2.801 1.00 3.03 C ATOM 238 CZ3 TRP A 16 5.671 -6.244 -0.827 1.00 25.34 C ATOM 239 CH2 TRP A 16 6.636 -5.749 -1.723 1.00 71.23 C ATOM 0 H TRP A 16 -0.491 -6.159 -3.948 1.00 15.21 H new ATOM 0 HA TRP A 16 1.451 -7.157 -2.013 1.00 41.24 H new ATOM 0 HB2 TRP A 16 0.582 -4.247 -2.249 1.00 70.03 H new ATOM 0 HB3 TRP A 16 1.404 -4.926 -0.858 1.00 70.03 H new ATOM 0 HD1 TRP A 16 2.054 -3.614 -4.345 1.00 4.11 H new ATOM 0 HE1 TRP A 16 4.603 -3.380 -4.686 1.00 10.12 H new ATOM 0 HE3 TRP A 16 3.577 -6.351 -0.342 1.00 24.14 H new ATOM 0 HZ2 TRP A 16 6.996 -4.528 -3.475 1.00 3.03 H new ATOM 0 HZ3 TRP A 16 5.976 -6.850 0.013 1.00 25.34 H new ATOM 0 HH2 TRP A 16 7.677 -6.000 -1.583 1.00 71.23 H new ATOM 250 N ILE A 17 -0.673 -7.822 -0.854 1.00 41.12 N ATOM 251 CA ILE A 17 -1.865 -8.182 -0.099 1.00 5.10 C ATOM 252 C ILE A 17 -1.713 -7.635 1.322 1.00 72.41 C ATOM 253 O ILE A 17 -0.645 -7.739 1.934 1.00 71.54 O ATOM 254 CB ILE A 17 -2.108 -9.706 -0.179 1.00 3.13 C ATOM 255 CG1 ILE A 17 -3.606 -10.001 0.024 1.00 42.44 C ATOM 256 CG2 ILE A 17 -1.228 -10.497 0.805 1.00 45.23 C ATOM 257 CD1 ILE A 17 -4.025 -11.392 -0.441 1.00 42.14 C ATOM 0 H ILE A 17 0.043 -8.548 -0.868 1.00 41.12 H new ATOM 0 HA ILE A 17 -2.763 -7.732 -0.522 1.00 5.10 H new ATOM 0 HB ILE A 17 -1.814 -10.045 -1.172 1.00 3.13 H new ATOM 0 HG12 ILE A 17 -3.849 -9.892 1.081 1.00 42.44 H new ATOM 0 HG13 ILE A 17 -4.190 -9.256 -0.515 1.00 42.44 H new ATOM 0 HG21 ILE A 17 -1.439 -11.562 0.707 1.00 45.23 H new ATOM 0 HG22 ILE A 17 -0.177 -10.313 0.582 1.00 45.23 H new ATOM 0 HG23 ILE A 17 -1.444 -10.177 1.824 1.00 45.23 H new ATOM 0 HD11 ILE A 17 -5.092 -11.528 -0.267 1.00 42.14 H new ATOM 0 HD12 ILE A 17 -3.815 -11.499 -1.505 1.00 42.14 H new ATOM 0 HD13 ILE A 17 -3.468 -12.145 0.116 1.00 42.14 H new ATOM 269 N VAL A 18 -2.770 -7.021 1.848 1.00 74.55 N ATOM 270 CA VAL A 18 -2.764 -6.420 3.177 1.00 61.51 C ATOM 271 C VAL A 18 -2.844 -7.493 4.263 1.00 12.40 C ATOM 272 O VAL A 18 -2.757 -7.148 5.436 1.00 3.04 O ATOM 273 CB VAL A 18 -3.935 -5.403 3.257 1.00 45.20 C ATOM 274 CG1 VAL A 18 -4.239 -4.865 4.662 1.00 10.44 C ATOM 275 CG2 VAL A 18 -3.671 -4.179 2.365 1.00 65.52 C ATOM 0 H VAL A 18 -3.660 -6.926 1.360 1.00 74.55 H new ATOM 0 HA VAL A 18 -1.828 -5.890 3.349 1.00 61.51 H new ATOM 0 HB VAL A 18 -4.794 -5.984 2.922 1.00 45.20 H new ATOM 0 HG11 VAL A 18 -5.072 -4.163 4.611 1.00 10.44 H new ATOM 0 HG12 VAL A 18 -4.503 -5.693 5.320 1.00 10.44 H new ATOM 0 HG13 VAL A 18 -3.359 -4.356 5.055 1.00 10.44 H new ATOM 0 HG21 VAL A 18 -4.508 -3.485 2.442 1.00 65.52 H new ATOM 0 HG22 VAL A 18 -2.757 -3.682 2.690 1.00 65.52 H new ATOM 0 HG23 VAL A 18 -3.561 -4.501 1.329 1.00 65.52 H new ATOM 285 N LYS A 19 -3.024 -8.768 3.901 1.00 31.30 N ATOM 286 CA LYS A 19 -3.420 -9.836 4.825 1.00 21.54 C ATOM 287 C LYS A 19 -2.343 -10.228 5.841 1.00 21.21 C ATOM 288 O LYS A 19 -2.384 -11.307 6.409 1.00 53.12 O ATOM 289 CB LYS A 19 -3.963 -11.091 4.091 1.00 11.03 C ATOM 290 CG LYS A 19 -2.870 -11.961 3.424 1.00 12.32 C ATOM 291 CD LYS A 19 -2.687 -13.391 3.963 1.00 64.35 C ATOM 292 CE LYS A 19 -1.402 -13.988 3.349 1.00 30.10 C ATOM 293 NZ LYS A 19 -0.900 -15.174 4.076 1.00 12.30 N ATOM 0 H LYS A 19 -2.896 -9.092 2.942 1.00 31.30 H new ATOM 0 HA LYS A 19 -4.235 -9.396 5.400 1.00 21.54 H new ATOM 0 HB2 LYS A 19 -4.514 -11.704 4.804 1.00 11.03 H new ATOM 0 HB3 LYS A 19 -4.673 -10.772 3.328 1.00 11.03 H new ATOM 0 HG2 LYS A 19 -3.093 -12.027 2.359 1.00 12.32 H new ATOM 0 HG3 LYS A 19 -1.918 -11.439 3.519 1.00 12.32 H new ATOM 0 HD2 LYS A 19 -2.616 -13.379 5.051 1.00 64.35 H new ATOM 0 HD3 LYS A 19 -3.550 -14.005 3.706 1.00 64.35 H new ATOM 0 HE2 LYS A 19 -1.597 -14.262 2.312 1.00 30.10 H new ATOM 0 HE3 LYS A 19 -0.625 -13.223 3.336 1.00 30.10 H new ATOM 0 HZ1 LYS A 19 -0.037 -15.525 3.613 1.00 12.30 H new ATOM 0 HZ2 LYS A 19 -0.684 -14.913 5.059 1.00 12.30 H new ATOM 0 HZ3 LYS A 19 -1.625 -15.919 4.067 1.00 12.30 H new ATOM 307 N GLU A 20 -1.348 -9.393 6.053 1.00 42.24 N ATOM 308 CA GLU A 20 -0.246 -9.619 6.959 1.00 14.14 C ATOM 309 C GLU A 20 -0.216 -8.396 7.871 1.00 1.42 C ATOM 310 O GLU A 20 0.340 -7.374 7.466 1.00 24.44 O ATOM 311 CB GLU A 20 1.037 -9.811 6.134 1.00 13.22 C ATOM 312 CG GLU A 20 1.238 -11.271 5.710 1.00 53.44 C ATOM 313 CD GLU A 20 1.802 -12.087 6.867 1.00 31.33 C ATOM 314 OE1 GLU A 20 2.998 -11.958 7.216 1.00 22.24 O ATOM 315 OE2 GLU A 20 1.017 -12.790 7.536 1.00 73.23 O ATOM 0 H GLU A 20 -1.284 -8.495 5.574 1.00 42.24 H new ATOM 0 HA GLU A 20 -0.344 -10.517 7.569 1.00 14.14 H new ATOM 0 HB2 GLU A 20 0.995 -9.179 5.247 1.00 13.22 H new ATOM 0 HB3 GLU A 20 1.896 -9.482 6.719 1.00 13.22 H new ATOM 0 HG2 GLU A 20 0.288 -11.696 5.386 1.00 53.44 H new ATOM 0 HG3 GLU A 20 1.916 -11.319 4.858 1.00 53.44 H new ATOM 322 N PRO A 21 -0.849 -8.419 9.058 1.00 63.53 N ATOM 323 CA PRO A 21 -1.669 -9.504 9.606 1.00 64.45 C ATOM 324 C PRO A 21 -3.044 -9.633 8.929 1.00 50.11 C ATOM 325 O PRO A 21 -3.534 -8.697 8.291 1.00 4.30 O ATOM 326 CB PRO A 21 -1.829 -9.158 11.087 1.00 32.53 C ATOM 327 CG PRO A 21 -1.766 -7.631 11.104 1.00 53.33 C ATOM 328 CD PRO A 21 -0.778 -7.304 9.989 1.00 70.35 C ATOM 0 HA PRO A 21 -1.189 -10.468 9.437 1.00 64.45 H new ATOM 0 HB2 PRO A 21 -2.775 -9.525 11.485 1.00 32.53 H new ATOM 0 HB3 PRO A 21 -1.036 -9.599 11.691 1.00 32.53 H new ATOM 0 HG2 PRO A 21 -2.744 -7.187 10.917 1.00 53.33 H new ATOM 0 HG3 PRO A 21 -1.423 -7.254 12.068 1.00 53.33 H new ATOM 0 HD2 PRO A 21 -1.039 -6.367 9.497 1.00 70.35 H new ATOM 0 HD3 PRO A 21 0.232 -7.187 10.383 1.00 70.35 H new ATOM 336 N VAL A 22 -3.681 -10.795 9.097 1.00 31.23 N ATOM 337 CA VAL A 22 -5.017 -11.073 8.562 1.00 45.14 C ATOM 338 C VAL A 22 -6.036 -10.279 9.385 1.00 34.40 C ATOM 339 O VAL A 22 -5.915 -10.198 10.616 1.00 63.15 O ATOM 340 CB VAL A 22 -5.325 -12.591 8.558 1.00 11.20 C ATOM 341 CG1 VAL A 22 -6.667 -12.906 7.875 1.00 42.24 C ATOM 342 CG2 VAL A 22 -4.257 -13.391 7.804 1.00 23.53 C ATOM 0 H VAL A 22 -3.280 -11.578 9.614 1.00 31.23 H new ATOM 0 HA VAL A 22 -5.072 -10.758 7.520 1.00 45.14 H new ATOM 0 HB VAL A 22 -5.351 -12.876 9.610 1.00 11.20 H new ATOM 0 HG11 VAL A 22 -6.842 -13.982 7.895 1.00 42.24 H new ATOM 0 HG12 VAL A 22 -7.473 -12.397 8.404 1.00 42.24 H new ATOM 0 HG13 VAL A 22 -6.638 -12.563 6.841 1.00 42.24 H new ATOM 0 HG21 VAL A 22 -4.513 -14.450 7.826 1.00 23.53 H new ATOM 0 HG22 VAL A 22 -4.210 -13.051 6.770 1.00 23.53 H new ATOM 0 HG23 VAL A 22 -3.288 -13.242 8.279 1.00 23.53 H new ATOM 352 N LEU A 23 -7.013 -9.687 8.694 1.00 65.12 N ATOM 353 CA LEU A 23 -8.040 -8.805 9.237 1.00 4.11 C ATOM 354 C LEU A 23 -9.258 -9.637 9.626 1.00 64.42 C ATOM 355 O LEU A 23 -9.307 -10.850 9.394 1.00 53.34 O ATOM 356 CB LEU A 23 -8.449 -7.723 8.204 1.00 32.12 C ATOM 357 CG LEU A 23 -7.295 -7.036 7.448 1.00 24.25 C ATOM 358 CD1 LEU A 23 -7.839 -5.909 6.558 1.00 21.55 C ATOM 359 CD2 LEU A 23 -6.231 -6.453 8.381 1.00 44.00 C ATOM 0 H LEU A 23 -7.111 -9.819 7.687 1.00 65.12 H new ATOM 0 HA LEU A 23 -7.639 -8.298 10.115 1.00 4.11 H new ATOM 0 HB2 LEU A 23 -9.114 -8.182 7.472 1.00 32.12 H new ATOM 0 HB3 LEU A 23 -9.025 -6.956 8.721 1.00 32.12 H new ATOM 0 HG LEU A 23 -6.822 -7.811 6.845 1.00 24.25 H new ATOM 0 HD11 LEU A 23 -7.014 -5.432 6.030 1.00 21.55 H new ATOM 0 HD12 LEU A 23 -8.542 -6.323 5.835 1.00 21.55 H new ATOM 0 HD13 LEU A 23 -8.349 -5.171 7.177 1.00 21.55 H new ATOM 0 HD21 LEU A 23 -5.446 -5.983 7.789 1.00 44.00 H new ATOM 0 HD22 LEU A 23 -6.688 -5.709 9.034 1.00 44.00 H new ATOM 0 HD23 LEU A 23 -5.801 -7.251 8.986 1.00 44.00 H new ATOM 371 N GLN A 24 -10.270 -8.969 10.170 1.00 23.31 N ATOM 372 CA GLN A 24 -11.570 -9.550 10.447 1.00 5.25 C ATOM 373 C GLN A 24 -12.633 -9.008 9.492 1.00 34.23 C ATOM 374 O GLN A 24 -12.324 -8.190 8.625 1.00 70.22 O ATOM 375 CB GLN A 24 -11.903 -9.376 11.920 1.00 72.44 C ATOM 376 CG GLN A 24 -12.219 -7.945 12.340 1.00 43.03 C ATOM 377 CD GLN A 24 -13.134 -8.006 13.556 1.00 44.42 C ATOM 378 OE1 GLN A 24 -12.773 -8.584 14.580 1.00 1.01 O ATOM 379 NE2 GLN A 24 -14.348 -7.513 13.429 1.00 31.54 N ATOM 0 H GLN A 24 -10.203 -7.986 10.435 1.00 23.31 H new ATOM 0 HA GLN A 24 -11.547 -10.623 10.258 1.00 5.25 H new ATOM 0 HB2 GLN A 24 -12.758 -10.008 12.162 1.00 72.44 H new ATOM 0 HB3 GLN A 24 -11.062 -9.736 12.513 1.00 72.44 H new ATOM 0 HG2 GLN A 24 -11.302 -7.406 12.579 1.00 43.03 H new ATOM 0 HG3 GLN A 24 -12.702 -7.406 11.525 1.00 43.03 H new ATOM 0 HE21 GLN A 24 -14.618 -7.039 12.567 1.00 31.54 H new ATOM 0 HE22 GLN A 24 -15.018 -7.605 14.192 1.00 31.54 H new ATOM 388 N ASP A 25 -13.876 -9.469 9.649 1.00 33.11 N ATOM 389 CA ASP A 25 -15.025 -9.187 8.774 1.00 65.50 C ATOM 390 C ASP A 25 -14.814 -9.749 7.354 1.00 61.24 C ATOM 391 O ASP A 25 -15.546 -9.435 6.421 1.00 53.52 O ATOM 392 CB ASP A 25 -15.362 -7.685 8.795 1.00 32.51 C ATOM 393 CG ASP A 25 -16.872 -7.418 8.832 1.00 65.13 C ATOM 394 OD1 ASP A 25 -17.541 -7.945 9.756 1.00 61.11 O ATOM 395 OD2 ASP A 25 -17.402 -6.601 8.046 1.00 4.24 O ATOM 0 H ASP A 25 -14.125 -10.080 10.427 1.00 33.11 H new ATOM 0 HA ASP A 25 -15.897 -9.711 9.165 1.00 65.50 H new ATOM 0 HB2 ASP A 25 -14.894 -7.224 9.665 1.00 32.51 H new ATOM 0 HB3 ASP A 25 -14.934 -7.208 7.913 1.00 32.51 H new ATOM 400 N ASP A 26 -13.775 -10.580 7.204 1.00 22.52 N ATOM 401 CA ASP A 26 -13.229 -11.236 6.005 1.00 61.40 C ATOM 402 C ASP A 26 -12.693 -10.280 4.941 1.00 70.10 C ATOM 403 O ASP A 26 -12.234 -10.727 3.884 1.00 61.01 O ATOM 404 CB ASP A 26 -14.191 -12.282 5.424 1.00 2.42 C ATOM 405 CG ASP A 26 -14.065 -13.573 6.210 1.00 23.42 C ATOM 406 OD1 ASP A 26 -13.056 -14.301 6.039 1.00 3.41 O ATOM 407 OD2 ASP A 26 -14.970 -13.873 7.011 1.00 52.24 O ATOM 0 H ASP A 26 -13.227 -10.842 8.024 1.00 22.52 H new ATOM 0 HA ASP A 26 -12.347 -11.768 6.360 1.00 61.40 H new ATOM 0 HB2 ASP A 26 -15.216 -11.914 5.469 1.00 2.42 H new ATOM 0 HB3 ASP A 26 -13.962 -12.459 4.373 1.00 2.42 H new ATOM 412 N PHE A 27 -12.676 -8.986 5.253 1.00 52.40 N ATOM 413 CA PHE A 27 -12.044 -7.908 4.528 1.00 31.25 C ATOM 414 C PHE A 27 -10.608 -8.296 4.205 1.00 45.13 C ATOM 415 O PHE A 27 -9.778 -8.524 5.086 1.00 45.03 O ATOM 416 CB PHE A 27 -12.121 -6.619 5.360 1.00 14.31 C ATOM 417 CG PHE A 27 -13.402 -5.804 5.207 1.00 53.10 C ATOM 418 CD1 PHE A 27 -14.644 -6.408 4.909 1.00 54.33 C ATOM 419 CD2 PHE A 27 -13.350 -4.409 5.393 1.00 53.12 C ATOM 420 CE1 PHE A 27 -15.803 -5.623 4.776 1.00 50.44 C ATOM 421 CE2 PHE A 27 -14.504 -3.620 5.242 1.00 34.43 C ATOM 422 CZ PHE A 27 -15.731 -4.228 4.929 1.00 74.33 C ATOM 0 H PHE A 27 -13.146 -8.646 6.092 1.00 52.40 H new ATOM 0 HA PHE A 27 -12.561 -7.724 3.586 1.00 31.25 H new ATOM 0 HB2 PHE A 27 -12.003 -6.880 6.412 1.00 14.31 H new ATOM 0 HB3 PHE A 27 -11.276 -5.985 5.092 1.00 14.31 H new ATOM 0 HD1 PHE A 27 -14.704 -7.479 4.783 1.00 54.33 H new ATOM 0 HD2 PHE A 27 -12.413 -3.940 5.655 1.00 53.12 H new ATOM 0 HE1 PHE A 27 -16.750 -6.093 4.556 1.00 50.44 H new ATOM 0 HE2 PHE A 27 -14.447 -2.549 5.366 1.00 34.43 H new ATOM 0 HZ PHE A 27 -16.618 -3.624 4.806 1.00 74.33 H new ATOM 432 N VAL A 28 -10.314 -8.324 2.919 1.00 3.32 N ATOM 433 CA VAL A 28 -8.977 -8.431 2.352 1.00 13.15 C ATOM 434 C VAL A 28 -8.771 -7.243 1.421 1.00 22.43 C ATOM 435 O VAL A 28 -9.693 -6.461 1.170 1.00 22.04 O ATOM 436 CB VAL A 28 -8.763 -9.798 1.661 1.00 71.13 C ATOM 437 CG1 VAL A 28 -8.460 -10.874 2.707 1.00 53.32 C ATOM 438 CG2 VAL A 28 -9.937 -10.236 0.775 1.00 63.11 C ATOM 0 H VAL A 28 -11.037 -8.270 2.202 1.00 3.32 H new ATOM 0 HA VAL A 28 -8.221 -8.395 3.136 1.00 13.15 H new ATOM 0 HB VAL A 28 -7.911 -9.672 0.993 1.00 71.13 H new ATOM 0 HG11 VAL A 28 -8.311 -11.833 2.210 1.00 53.32 H new ATOM 0 HG12 VAL A 28 -7.557 -10.605 3.255 1.00 53.32 H new ATOM 0 HG13 VAL A 28 -9.296 -10.952 3.402 1.00 53.32 H new ATOM 0 HG21 VAL A 28 -9.712 -11.203 0.325 1.00 63.11 H new ATOM 0 HG22 VAL A 28 -10.839 -10.318 1.381 1.00 63.11 H new ATOM 0 HG23 VAL A 28 -10.094 -9.498 -0.012 1.00 63.11 H new ATOM 448 N THR A 29 -7.532 -7.048 0.977 1.00 21.34 N ATOM 449 CA THR A 29 -7.150 -6.030 0.019 1.00 33.31 C ATOM 450 C THR A 29 -5.806 -6.436 -0.573 1.00 45.12 C ATOM 451 O THR A 29 -4.980 -7.045 0.111 1.00 11.12 O ATOM 452 CB THR A 29 -6.991 -4.669 0.715 1.00 10.21 C ATOM 453 OG1 THR A 29 -8.044 -4.399 1.600 1.00 51.32 O ATOM 454 CG2 THR A 29 -6.940 -3.529 -0.297 1.00 53.11 C ATOM 0 H THR A 29 -6.745 -7.617 1.288 1.00 21.34 H new ATOM 0 HA THR A 29 -7.916 -5.941 -0.751 1.00 33.31 H new ATOM 0 HB THR A 29 -6.054 -4.731 1.268 1.00 10.21 H new ATOM 0 HG1 THR A 29 -8.273 -3.447 1.556 1.00 51.32 H new ATOM 0 HG21 THR A 29 -6.827 -2.581 0.229 1.00 53.11 H new ATOM 0 HG22 THR A 29 -6.093 -3.675 -0.968 1.00 53.11 H new ATOM 0 HG23 THR A 29 -7.863 -3.515 -0.876 1.00 53.11 H new ATOM 462 N CYS A 30 -5.570 -6.029 -1.810 1.00 11.31 N ATOM 463 CA CYS A 30 -4.402 -6.213 -2.630 1.00 10.43 C ATOM 464 C CYS A 30 -4.031 -4.863 -3.262 1.00 13.31 C ATOM 465 O CYS A 30 -4.559 -4.463 -4.302 1.00 60.44 O ATOM 466 CB CYS A 30 -4.673 -7.353 -3.613 1.00 53.21 C ATOM 467 SG CYS A 30 -6.285 -7.210 -4.443 1.00 44.33 S ATOM 0 H CYS A 30 -6.282 -5.501 -2.314 1.00 11.31 H new ATOM 0 HA CYS A 30 -3.524 -6.520 -2.061 1.00 10.43 H new ATOM 0 HB2 CYS A 30 -3.884 -7.372 -4.365 1.00 53.21 H new ATOM 0 HB3 CYS A 30 -4.628 -8.303 -3.080 1.00 53.21 H new ATOM 0 HG CYS A 30 -6.442 -8.209 -5.260 1.00 44.33 H new ATOM 473 N TYR A 31 -3.185 -4.099 -2.562 1.00 25.45 N ATOM 474 CA TYR A 31 -2.675 -2.813 -3.024 1.00 25.03 C ATOM 475 C TYR A 31 -1.773 -3.042 -4.224 1.00 73.03 C ATOM 476 O TYR A 31 -0.659 -3.549 -4.103 1.00 44.14 O ATOM 477 CB TYR A 31 -1.921 -2.012 -1.944 1.00 21.31 C ATOM 478 CG TYR A 31 -2.702 -1.318 -0.822 1.00 5.12 C ATOM 479 CD1 TYR A 31 -3.811 -1.893 -0.178 1.00 4.11 C ATOM 480 CD2 TYR A 31 -2.271 -0.052 -0.380 1.00 44.10 C ATOM 481 CE1 TYR A 31 -4.531 -1.172 0.793 1.00 63.30 C ATOM 482 CE2 TYR A 31 -2.977 0.684 0.594 1.00 33.15 C ATOM 483 CZ TYR A 31 -4.134 0.128 1.173 1.00 13.12 C ATOM 484 OH TYR A 31 -4.873 0.817 2.091 1.00 73.34 O ATOM 0 H TYR A 31 -2.832 -4.366 -1.643 1.00 25.45 H new ATOM 0 HA TYR A 31 -3.541 -2.208 -3.292 1.00 25.03 H new ATOM 0 HB2 TYR A 31 -1.211 -2.691 -1.473 1.00 21.31 H new ATOM 0 HB3 TYR A 31 -1.338 -1.246 -2.456 1.00 21.31 H new ATOM 0 HD1 TYR A 31 -4.114 -2.898 -0.431 1.00 4.11 H new ATOM 0 HD2 TYR A 31 -1.370 0.369 -0.801 1.00 44.10 H new ATOM 0 HE1 TYR A 31 -5.399 -1.620 1.254 1.00 63.30 H new ATOM 0 HE2 TYR A 31 -2.634 1.664 0.893 1.00 33.15 H new ATOM 0 HH TYR A 31 -4.394 1.631 2.352 1.00 73.34 H new ATOM 494 N THR A 32 -2.274 -2.675 -5.394 1.00 63.03 N ATOM 495 CA THR A 32 -1.536 -2.780 -6.636 1.00 31.04 C ATOM 496 C THR A 32 -1.111 -1.362 -6.975 1.00 34.43 C ATOM 497 O THR A 32 -1.967 -0.481 -7.029 1.00 35.43 O ATOM 498 CB THR A 32 -2.434 -3.414 -7.714 1.00 41.23 C ATOM 499 OG1 THR A 32 -3.200 -4.455 -7.131 1.00 53.31 O ATOM 500 CG2 THR A 32 -1.570 -4.030 -8.814 1.00 71.03 C ATOM 0 H THR A 32 -3.213 -2.293 -5.505 1.00 63.03 H new ATOM 0 HA THR A 32 -0.658 -3.422 -6.565 1.00 31.04 H new ATOM 0 HB THR A 32 -3.081 -2.642 -8.131 1.00 41.23 H new ATOM 0 HG1 THR A 32 -3.774 -4.860 -7.814 1.00 53.31 H new ATOM 0 HG21 THR A 32 -2.212 -4.477 -9.573 1.00 71.03 H new ATOM 0 HG22 THR A 32 -0.954 -3.255 -9.270 1.00 71.03 H new ATOM 0 HG23 THR A 32 -0.927 -4.798 -8.384 1.00 71.03 H new ATOM 508 N PHE A 33 0.181 -1.095 -7.139 1.00 3.55 N ATOM 509 CA PHE A 33 0.629 0.223 -7.589 1.00 64.13 C ATOM 510 C PHE A 33 0.716 0.185 -9.111 1.00 31.11 C ATOM 511 O PHE A 33 0.350 -0.801 -9.758 1.00 33.13 O ATOM 512 CB PHE A 33 1.924 0.653 -6.869 1.00 11.42 C ATOM 513 CG PHE A 33 1.742 0.571 -5.370 1.00 54.22 C ATOM 514 CD1 PHE A 33 1.191 1.668 -4.684 1.00 23.35 C ATOM 515 CD2 PHE A 33 1.948 -0.651 -4.702 1.00 13.34 C ATOM 516 CE1 PHE A 33 0.778 1.517 -3.353 1.00 10.51 C ATOM 517 CE2 PHE A 33 1.518 -0.804 -3.375 1.00 62.31 C ATOM 518 CZ PHE A 33 0.900 0.269 -2.723 1.00 21.33 C ATOM 0 H PHE A 33 0.931 -1.765 -6.970 1.00 3.55 H new ATOM 0 HA PHE A 33 -0.083 1.003 -7.319 1.00 64.13 H new ATOM 0 HB2 PHE A 33 2.750 0.012 -7.178 1.00 11.42 H new ATOM 0 HB3 PHE A 33 2.187 1.671 -7.155 1.00 11.42 H new ATOM 0 HD1 PHE A 33 1.087 2.622 -5.180 1.00 23.35 H new ATOM 0 HD2 PHE A 33 2.436 -1.469 -5.210 1.00 13.34 H new ATOM 0 HE1 PHE A 33 0.367 2.358 -2.814 1.00 10.51 H new ATOM 0 HE2 PHE A 33 1.663 -1.743 -2.861 1.00 62.31 H new ATOM 0 HZ PHE A 33 0.513 0.135 -1.724 1.00 21.33 H new ATOM 528 N ASN A 34 1.156 1.280 -9.709 1.00 72.43 N ATOM 529 CA ASN A 34 1.585 1.373 -11.098 1.00 51.22 C ATOM 530 C ASN A 34 2.986 2.005 -11.009 1.00 71.34 C ATOM 531 O ASN A 34 3.468 2.259 -9.906 1.00 71.33 O ATOM 532 CB ASN A 34 0.601 2.230 -11.931 1.00 32.45 C ATOM 533 CG ASN A 34 -0.821 1.687 -12.174 1.00 75.10 C ATOM 534 OD1 ASN A 34 -1.548 2.293 -12.950 1.00 51.44 O ATOM 535 ND2 ASN A 34 -1.263 0.591 -11.568 1.00 13.11 N ATOM 0 H ASN A 34 1.228 2.171 -9.217 1.00 72.43 H new ATOM 0 HA ASN A 34 1.607 0.408 -11.605 1.00 51.22 H new ATOM 0 HB2 ASN A 34 0.507 3.199 -11.440 1.00 32.45 H new ATOM 0 HB3 ASN A 34 1.059 2.409 -12.904 1.00 32.45 H new ATOM 0 HD21 ASN A 34 -2.209 0.254 -11.749 1.00 13.11 H new ATOM 0 HD22 ASN A 34 -0.657 0.086 -10.921 1.00 13.11 H new ATOM 542 N ALA A 35 3.657 2.287 -12.129 1.00 71.33 N ATOM 543 CA ALA A 35 4.969 2.943 -12.075 1.00 43.51 C ATOM 544 C ALA A 35 4.889 4.461 -11.837 1.00 71.04 C ATOM 545 O ALA A 35 5.919 5.100 -11.631 1.00 43.32 O ATOM 546 CB ALA A 35 5.759 2.608 -13.338 1.00 71.31 C ATOM 0 H ALA A 35 3.322 2.076 -13.069 1.00 71.33 H new ATOM 0 HA ALA A 35 5.495 2.550 -11.205 1.00 43.51 H new ATOM 0 HB1 ALA A 35 6.733 3.095 -13.298 1.00 71.31 H new ATOM 0 HB2 ALA A 35 5.896 1.529 -13.406 1.00 71.31 H new ATOM 0 HB3 ALA A 35 5.213 2.961 -14.213 1.00 71.31 H new ATOM 552 N ASP A 36 3.691 5.053 -11.907 1.00 31.43 N ATOM 553 CA ASP A 36 3.394 6.410 -11.415 1.00 72.20 C ATOM 554 C ASP A 36 1.890 6.693 -11.389 1.00 53.42 C ATOM 555 O ASP A 36 1.438 7.596 -10.690 1.00 0.13 O ATOM 556 CB ASP A 36 4.068 7.508 -12.257 1.00 33.42 C ATOM 557 CG ASP A 36 4.434 8.735 -11.411 1.00 75.24 C ATOM 558 OD1 ASP A 36 5.071 8.570 -10.348 1.00 62.04 O ATOM 559 OD2 ASP A 36 4.188 9.897 -11.808 1.00 64.22 O ATOM 0 H ASP A 36 2.878 4.593 -12.317 1.00 31.43 H new ATOM 0 HA ASP A 36 3.796 6.436 -10.402 1.00 72.20 H new ATOM 0 HB2 ASP A 36 4.968 7.107 -12.723 1.00 33.42 H new ATOM 0 HB3 ASP A 36 3.399 7.809 -13.063 1.00 33.42 H new ATOM 564 N LYS A 37 1.118 5.963 -12.205 1.00 40.21 N ATOM 565 CA LYS A 37 -0.145 6.445 -12.748 1.00 63.12 C ATOM 566 C LYS A 37 -1.308 6.411 -11.747 1.00 44.40 C ATOM 567 O LYS A 37 -1.948 7.441 -11.549 1.00 21.31 O ATOM 568 CB LYS A 37 -0.410 5.686 -14.066 1.00 63.44 C ATOM 569 CG LYS A 37 -1.737 6.016 -14.758 1.00 51.21 C ATOM 570 CD LYS A 37 -1.967 7.485 -15.099 1.00 21.41 C ATOM 571 CE LYS A 37 -1.406 7.817 -16.491 1.00 41.30 C ATOM 572 NZ LYS A 37 -0.819 9.174 -16.567 1.00 34.24 N ATOM 0 H LYS A 37 1.359 5.018 -12.504 1.00 40.21 H new ATOM 0 HA LYS A 37 -0.066 7.510 -12.964 1.00 63.12 H new ATOM 0 HB2 LYS A 37 0.404 5.899 -14.758 1.00 63.44 H new ATOM 0 HB3 LYS A 37 -0.383 4.616 -13.861 1.00 63.44 H new ATOM 0 HG2 LYS A 37 -1.798 5.436 -15.679 1.00 51.21 H new ATOM 0 HG3 LYS A 37 -2.552 5.681 -14.116 1.00 51.21 H new ATOM 0 HD2 LYS A 37 -3.034 7.707 -15.070 1.00 21.41 H new ATOM 0 HD3 LYS A 37 -1.489 8.116 -14.350 1.00 21.41 H new ATOM 0 HE2 LYS A 37 -0.645 7.082 -16.755 1.00 41.30 H new ATOM 0 HE3 LYS A 37 -2.204 7.730 -17.229 1.00 41.30 H new ATOM 0 HZ1 LYS A 37 -0.457 9.342 -17.527 1.00 34.24 H new ATOM 0 HZ2 LYS A 37 -1.548 9.881 -16.343 1.00 34.24 H new ATOM 0 HZ3 LYS A 37 -0.039 9.253 -15.884 1.00 34.24 H new ATOM 586 N THR A 38 -1.632 5.257 -11.170 1.00 41.40 N ATOM 587 CA THR A 38 -2.654 5.110 -10.128 1.00 54.31 C ATOM 588 C THR A 38 -2.198 3.978 -9.191 1.00 63.20 C ATOM 589 O THR A 38 -1.154 3.360 -9.423 1.00 61.42 O ATOM 590 CB THR A 38 -4.088 4.988 -10.737 1.00 60.00 C ATOM 591 OG1 THR A 38 -5.070 4.496 -9.839 1.00 43.41 O ATOM 592 CG2 THR A 38 -4.218 4.197 -12.035 1.00 20.42 C ATOM 0 H THR A 38 -1.183 4.375 -11.417 1.00 41.40 H new ATOM 0 HA THR A 38 -2.749 6.005 -9.512 1.00 54.31 H new ATOM 0 HB THR A 38 -4.275 6.037 -10.966 1.00 60.00 H new ATOM 0 HG1 THR A 38 -4.954 3.530 -9.725 1.00 43.41 H new ATOM 0 HG21 THR A 38 -5.261 4.187 -12.352 1.00 20.42 H new ATOM 0 HG22 THR A 38 -3.608 4.664 -12.808 1.00 20.42 H new ATOM 0 HG23 THR A 38 -3.878 3.174 -11.873 1.00 20.42 H new ATOM 600 N TYR A 39 -2.944 3.723 -8.115 1.00 14.33 N ATOM 601 CA TYR A 39 -2.935 2.462 -7.383 1.00 72.33 C ATOM 602 C TYR A 39 -4.243 1.748 -7.716 1.00 74.03 C ATOM 603 O TYR A 39 -4.998 2.183 -8.585 1.00 1.52 O ATOM 604 CB TYR A 39 -2.662 2.627 -5.869 1.00 13.45 C ATOM 605 CG TYR A 39 -3.692 3.381 -5.037 1.00 42.31 C ATOM 606 CD1 TYR A 39 -3.783 4.769 -5.256 1.00 23.12 C ATOM 607 CD2 TYR A 39 -4.467 2.754 -4.020 1.00 65.21 C ATOM 608 CE1 TYR A 39 -4.664 5.530 -4.475 1.00 34.21 C ATOM 609 CE2 TYR A 39 -5.279 3.545 -3.200 1.00 41.54 C ATOM 610 CZ TYR A 39 -5.389 4.925 -3.430 1.00 5.43 C ATOM 611 OH TYR A 39 -6.223 5.683 -2.677 1.00 1.25 O ATOM 0 H TYR A 39 -3.588 4.409 -7.720 1.00 14.33 H new ATOM 0 HA TYR A 39 -2.094 1.845 -7.700 1.00 72.33 H new ATOM 0 HB2 TYR A 39 -2.549 1.632 -5.439 1.00 13.45 H new ATOM 0 HB3 TYR A 39 -1.704 3.134 -5.755 1.00 13.45 H new ATOM 0 HD1 TYR A 39 -3.181 5.242 -6.017 1.00 23.12 H new ATOM 0 HD2 TYR A 39 -4.428 1.683 -3.884 1.00 65.21 H new ATOM 0 HE1 TYR A 39 -4.787 6.584 -4.675 1.00 34.21 H new ATOM 0 HE2 TYR A 39 -5.824 3.091 -2.386 1.00 41.54 H new ATOM 0 HH TYR A 39 -6.384 6.539 -3.127 1.00 1.25 H new ATOM 621 N GLU A 40 -4.506 0.620 -7.082 1.00 74.12 N ATOM 622 CA GLU A 40 -5.726 -0.148 -7.256 1.00 11.42 C ATOM 623 C GLU A 40 -5.887 -1.001 -6.004 1.00 74.30 C ATOM 624 O GLU A 40 -5.056 -1.881 -5.733 1.00 75.00 O ATOM 625 CB GLU A 40 -5.580 -1.052 -8.493 1.00 3.33 C ATOM 626 CG GLU A 40 -6.303 -0.500 -9.720 1.00 43.32 C ATOM 627 CD GLU A 40 -7.056 -1.542 -10.570 1.00 61.01 C ATOM 628 OE1 GLU A 40 -6.997 -2.771 -10.314 1.00 34.15 O ATOM 629 OE2 GLU A 40 -7.621 -1.129 -11.615 1.00 22.15 O ATOM 0 H GLU A 40 -3.859 0.201 -6.414 1.00 74.12 H new ATOM 0 HA GLU A 40 -6.592 0.498 -7.400 1.00 11.42 H new ATOM 0 HB2 GLU A 40 -4.522 -1.174 -8.725 1.00 3.33 H new ATOM 0 HB3 GLU A 40 -5.972 -2.042 -8.261 1.00 3.33 H new ATOM 0 HG2 GLU A 40 -7.014 0.258 -9.391 1.00 43.32 H new ATOM 0 HG3 GLU A 40 -5.573 0.002 -10.355 1.00 43.32 H new ATOM 636 N VAL A 41 -6.913 -0.702 -5.218 1.00 42.53 N ATOM 637 CA VAL A 41 -7.209 -1.340 -3.946 1.00 41.22 C ATOM 638 C VAL A 41 -8.676 -1.571 -3.809 1.00 23.32 C ATOM 639 O VAL A 41 -9.459 -1.079 -4.599 1.00 24.33 O ATOM 640 CB VAL A 41 -6.772 -0.426 -2.802 1.00 10.12 C ATOM 641 CG1 VAL A 41 -5.310 -0.600 -2.707 1.00 53.41 C ATOM 642 CG2 VAL A 41 -7.313 0.997 -2.812 1.00 53.30 C ATOM 0 H VAL A 41 -7.589 0.022 -5.461 1.00 42.53 H new ATOM 0 HA VAL A 41 -6.677 -2.290 -3.909 1.00 41.22 H new ATOM 0 HB VAL A 41 -7.246 -0.722 -1.866 1.00 10.12 H new ATOM 0 HG11 VAL A 41 -4.920 0.027 -1.905 1.00 53.41 H new ATOM 0 HG12 VAL A 41 -5.081 -1.644 -2.496 1.00 53.41 H new ATOM 0 HG13 VAL A 41 -4.847 -0.311 -3.650 1.00 53.41 H new ATOM 0 HG21 VAL A 41 -6.928 1.539 -1.948 1.00 53.30 H new ATOM 0 HG22 VAL A 41 -6.998 1.500 -3.726 1.00 53.30 H new ATOM 0 HG23 VAL A 41 -8.402 0.973 -2.769 1.00 53.30 H new ATOM 652 N TYR A 42 -9.081 -2.339 -2.812 1.00 21.34 N ATOM 653 CA TYR A 42 -10.470 -2.649 -2.585 1.00 32.05 C ATOM 654 C TYR A 42 -10.459 -3.354 -1.216 1.00 41.52 C ATOM 655 O TYR A 42 -9.993 -4.482 -1.056 1.00 12.11 O ATOM 656 CB TYR A 42 -11.048 -3.486 -3.751 1.00 52.44 C ATOM 657 CG TYR A 42 -11.120 -4.987 -3.576 1.00 62.01 C ATOM 658 CD1 TYR A 42 -12.146 -5.495 -2.747 1.00 10.34 C ATOM 659 CD2 TYR A 42 -10.135 -5.827 -4.118 1.00 64.44 C ATOM 660 CE1 TYR A 42 -12.149 -6.855 -2.402 1.00 12.14 C ATOM 661 CE2 TYR A 42 -10.116 -7.180 -3.739 1.00 4.42 C ATOM 662 CZ TYR A 42 -11.101 -7.691 -2.860 1.00 44.42 C ATOM 663 OH TYR A 42 -10.998 -8.978 -2.443 1.00 21.31 O ATOM 0 H TYR A 42 -8.446 -2.765 -2.137 1.00 21.34 H new ATOM 0 HA TYR A 42 -11.131 -1.782 -2.561 1.00 32.05 H new ATOM 0 HB2 TYR A 42 -12.056 -3.124 -3.955 1.00 52.44 H new ATOM 0 HB3 TYR A 42 -10.450 -3.281 -4.639 1.00 52.44 H new ATOM 0 HD1 TYR A 42 -12.923 -4.840 -2.381 1.00 10.34 H new ATOM 0 HD2 TYR A 42 -9.405 -5.441 -4.814 1.00 64.44 H new ATOM 0 HE1 TYR A 42 -12.943 -7.261 -1.793 1.00 12.14 H new ATOM 0 HE2 TYR A 42 -9.346 -7.834 -4.120 1.00 4.42 H new ATOM 0 HH TYR A 42 -10.218 -9.397 -2.863 1.00 21.31 H new ATOM 673 N THR A 43 -10.869 -2.619 -0.198 1.00 64.12 N ATOM 674 CA THR A 43 -11.034 -3.121 1.170 1.00 61.43 C ATOM 675 C THR A 43 -12.509 -3.416 1.383 1.00 25.01 C ATOM 676 O THR A 43 -13.279 -2.475 1.587 1.00 14.55 O ATOM 677 CB THR A 43 -10.489 -2.154 2.239 1.00 45.30 C ATOM 678 OG1 THR A 43 -9.242 -1.582 1.877 1.00 51.43 O ATOM 679 CG2 THR A 43 -10.347 -2.858 3.589 1.00 24.41 C ATOM 0 H THR A 43 -11.104 -1.631 -0.294 1.00 64.12 H new ATOM 0 HA THR A 43 -10.443 -4.029 1.286 1.00 61.43 H new ATOM 0 HB THR A 43 -11.217 -1.347 2.317 1.00 45.30 H new ATOM 0 HG1 THR A 43 -8.942 -0.977 2.587 1.00 51.43 H new ATOM 0 HG21 THR A 43 -9.961 -2.155 4.327 1.00 24.41 H new ATOM 0 HG22 THR A 43 -11.321 -3.225 3.912 1.00 24.41 H new ATOM 0 HG23 THR A 43 -9.658 -3.697 3.491 1.00 24.41 H new ATOM 687 N GLY A 44 -12.895 -4.691 1.330 1.00 14.11 N ATOM 688 CA GLY A 44 -14.289 -5.084 1.451 1.00 63.31 C ATOM 689 C GLY A 44 -15.098 -4.658 0.230 1.00 45.50 C ATOM 690 O GLY A 44 -14.710 -3.789 -0.554 1.00 1.51 O ATOM 0 H GLY A 44 -12.251 -5.472 1.203 1.00 14.11 H new ATOM 0 HA2 GLY A 44 -14.354 -6.165 1.573 1.00 63.31 H new ATOM 0 HA3 GLY A 44 -14.718 -4.636 2.347 1.00 63.31 H new ATOM 786 N PRO A 52 -13.039 -2.985 -7.618 1.00 64.32 N ATOM 787 CA PRO A 52 -11.881 -2.272 -7.118 1.00 61.24 C ATOM 788 C PRO A 52 -12.145 -0.767 -6.996 1.00 13.11 C ATOM 789 O PRO A 52 -13.187 -0.225 -7.368 1.00 1.54 O ATOM 790 CB PRO A 52 -10.743 -2.609 -8.081 1.00 53.23 C ATOM 791 CG PRO A 52 -11.469 -2.832 -9.409 1.00 74.02 C ATOM 792 CD PRO A 52 -12.820 -3.422 -8.990 1.00 74.42 C ATOM 0 HA PRO A 52 -11.624 -2.577 -6.104 1.00 61.24 H new ATOM 0 HB2 PRO A 52 -10.018 -1.798 -8.149 1.00 53.23 H new ATOM 0 HB3 PRO A 52 -10.197 -3.498 -7.765 1.00 53.23 H new ATOM 0 HG2 PRO A 52 -11.593 -1.899 -9.959 1.00 74.02 H new ATOM 0 HG3 PRO A 52 -10.918 -3.514 -10.057 1.00 74.02 H new ATOM 0 HD2 PRO A 52 -13.619 -3.071 -9.644 1.00 74.42 H new ATOM 0 HD3 PRO A 52 -12.808 -4.510 -9.056 1.00 74.42 H new ATOM 800 N PHE A 53 -11.167 -0.088 -6.426 1.00 74.23 N ATOM 801 CA PHE A 53 -10.967 1.334 -6.319 1.00 23.13 C ATOM 802 C PHE A 53 -9.748 1.689 -7.175 1.00 74.30 C ATOM 803 O PHE A 53 -8.966 0.809 -7.535 1.00 43.22 O ATOM 804 CB PHE A 53 -10.756 1.687 -4.836 1.00 33.12 C ATOM 805 CG PHE A 53 -10.758 3.185 -4.677 1.00 50.40 C ATOM 806 CD1 PHE A 53 -11.959 3.890 -4.859 1.00 53.52 C ATOM 807 CD2 PHE A 53 -9.554 3.864 -4.420 1.00 1.53 C ATOM 808 CE1 PHE A 53 -11.961 5.285 -4.802 1.00 62.32 C ATOM 809 CE2 PHE A 53 -9.540 5.263 -4.436 1.00 10.43 C ATOM 810 CZ PHE A 53 -10.746 5.956 -4.625 1.00 43.31 C ATOM 0 H PHE A 53 -10.403 -0.589 -5.973 1.00 74.23 H new ATOM 0 HA PHE A 53 -11.826 1.903 -6.676 1.00 23.13 H new ATOM 0 HB2 PHE A 53 -11.545 1.244 -4.229 1.00 33.12 H new ATOM 0 HB3 PHE A 53 -9.812 1.273 -4.482 1.00 33.12 H new ATOM 0 HD1 PHE A 53 -12.879 3.354 -5.043 1.00 53.52 H new ATOM 0 HD2 PHE A 53 -8.650 3.312 -4.212 1.00 1.53 H new ATOM 0 HE1 PHE A 53 -12.885 5.837 -4.893 1.00 62.32 H new ATOM 0 HE2 PHE A 53 -8.614 5.802 -4.305 1.00 10.43 H new ATOM 0 HZ PHE A 53 -10.736 7.036 -4.634 1.00 43.31 H new ATOM 820 N ARG A 54 -9.599 2.965 -7.511 1.00 22.41 N ATOM 821 CA ARG A 54 -8.529 3.528 -8.322 1.00 61.13 C ATOM 822 C ARG A 54 -8.393 4.984 -7.888 1.00 70.00 C ATOM 823 O ARG A 54 -9.410 5.652 -7.678 1.00 41.14 O ATOM 824 CB ARG A 54 -8.841 3.405 -9.822 1.00 23.41 C ATOM 825 CG ARG A 54 -10.289 3.779 -10.201 1.00 73.10 C ATOM 826 CD ARG A 54 -11.012 2.557 -10.775 1.00 12.43 C ATOM 827 NE ARG A 54 -12.428 2.845 -11.020 1.00 22.14 N ATOM 828 CZ ARG A 54 -12.951 3.484 -12.069 1.00 40.14 C ATOM 829 NH1 ARG A 54 -12.176 3.963 -13.041 1.00 54.23 N ATOM 830 NH2 ARG A 54 -14.266 3.657 -12.123 1.00 51.12 N ATOM 0 H ARG A 54 -10.263 3.676 -7.205 1.00 22.41 H new ATOM 0 HA ARG A 54 -7.593 2.990 -8.174 1.00 61.13 H new ATOM 0 HB2 ARG A 54 -8.155 4.045 -10.378 1.00 23.41 H new ATOM 0 HB3 ARG A 54 -8.648 2.380 -10.139 1.00 23.41 H new ATOM 0 HG2 ARG A 54 -10.820 4.147 -9.323 1.00 73.10 H new ATOM 0 HG3 ARG A 54 -10.285 4.587 -10.933 1.00 73.10 H new ATOM 0 HD2 ARG A 54 -10.534 2.252 -11.706 1.00 12.43 H new ATOM 0 HD3 ARG A 54 -10.923 1.720 -10.082 1.00 12.43 H new ATOM 0 HE ARG A 54 -13.086 2.522 -10.311 1.00 22.14 H new ATOM 0 HH11 ARG A 54 -11.164 3.844 -12.992 1.00 54.23 H new ATOM 0 HH12 ARG A 54 -12.595 4.448 -13.834 1.00 54.23 H new ATOM 0 HH21 ARG A 54 -14.858 3.304 -11.371 1.00 51.12 H new ATOM 0 HH22 ARG A 54 -14.684 4.143 -12.916 1.00 51.12 H new ATOM 844 N GLY A 55 -7.156 5.449 -7.744 1.00 41.43 N ATOM 845 CA GLY A 55 -6.810 6.726 -7.131 1.00 70.23 C ATOM 846 C GLY A 55 -5.487 7.255 -7.669 1.00 11.24 C ATOM 847 O GLY A 55 -5.201 7.108 -8.851 1.00 74.42 O ATOM 0 H GLY A 55 -6.339 4.928 -8.062 1.00 41.43 H new ATOM 0 HA2 GLY A 55 -7.600 7.451 -7.325 1.00 70.23 H new ATOM 0 HA3 GLY A 55 -6.744 6.607 -6.049 1.00 70.23 H new ATOM 851 N THR A 56 -4.665 7.875 -6.823 1.00 63.14 N ATOM 852 CA THR A 56 -3.286 8.241 -7.140 1.00 53.52 C ATOM 853 C THR A 56 -2.425 7.981 -5.894 1.00 51.23 C ATOM 854 O THR A 56 -2.844 8.280 -4.774 1.00 11.51 O ATOM 855 CB THR A 56 -3.204 9.694 -7.671 1.00 51.12 C ATOM 856 OG1 THR A 56 -4.081 10.601 -7.026 1.00 14.24 O ATOM 857 CG2 THR A 56 -3.528 9.785 -9.168 1.00 10.25 C ATOM 0 H THR A 56 -4.945 8.142 -5.879 1.00 63.14 H new ATOM 0 HA THR A 56 -2.895 7.627 -7.951 1.00 53.52 H new ATOM 0 HB THR A 56 -2.171 9.973 -7.463 1.00 51.12 H new ATOM 0 HG1 THR A 56 -3.970 11.494 -7.413 1.00 14.24 H new ATOM 0 HG21 THR A 56 -3.457 10.823 -9.493 1.00 10.25 H new ATOM 0 HG22 THR A 56 -2.818 9.179 -9.731 1.00 10.25 H new ATOM 0 HG23 THR A 56 -4.539 9.418 -9.344 1.00 10.25 H new ATOM 865 N TYR A 57 -1.254 7.357 -6.061 1.00 74.41 N ATOM 866 CA TYR A 57 -0.244 7.240 -5.012 1.00 50.32 C ATOM 867 C TYR A 57 0.837 8.271 -5.299 1.00 71.41 C ATOM 868 O TYR A 57 1.125 8.580 -6.459 1.00 51.13 O ATOM 869 CB TYR A 57 0.340 5.817 -4.939 1.00 12.11 C ATOM 870 CG TYR A 57 1.417 5.482 -5.948 1.00 63.02 C ATOM 871 CD1 TYR A 57 1.099 4.945 -7.209 1.00 54.11 C ATOM 872 CD2 TYR A 57 2.761 5.721 -5.602 1.00 24.15 C ATOM 873 CE1 TYR A 57 2.123 4.679 -8.135 1.00 51.40 C ATOM 874 CE2 TYR A 57 3.786 5.471 -6.525 1.00 50.20 C ATOM 875 CZ TYR A 57 3.467 4.959 -7.800 1.00 54.51 C ATOM 876 OH TYR A 57 4.455 4.784 -8.713 1.00 21.04 O ATOM 0 H TYR A 57 -0.981 6.915 -6.939 1.00 74.41 H new ATOM 0 HA TYR A 57 -0.696 7.428 -4.038 1.00 50.32 H new ATOM 0 HB2 TYR A 57 0.748 5.666 -3.940 1.00 12.11 H new ATOM 0 HB3 TYR A 57 -0.477 5.105 -5.061 1.00 12.11 H new ATOM 0 HD1 TYR A 57 0.071 4.738 -7.465 1.00 54.11 H new ATOM 0 HD2 TYR A 57 3.003 6.099 -4.620 1.00 24.15 H new ATOM 0 HE1 TYR A 57 1.883 4.261 -9.101 1.00 51.40 H new ATOM 0 HE2 TYR A 57 4.814 5.669 -6.261 1.00 50.20 H new ATOM 0 HH TYR A 57 4.289 3.963 -9.221 1.00 21.04 H new ATOM 886 N ILE A 58 1.439 8.796 -4.239 1.00 74.31 N ATOM 887 CA ILE A 58 2.461 9.838 -4.316 1.00 62.00 C ATOM 888 C ILE A 58 3.483 9.568 -3.212 1.00 24.15 C ATOM 889 O ILE A 58 3.115 9.226 -2.086 1.00 74.40 O ATOM 890 CB ILE A 58 1.832 11.257 -4.217 1.00 10.15 C ATOM 891 CG1 ILE A 58 0.707 11.458 -5.267 1.00 23.45 C ATOM 892 CG2 ILE A 58 2.925 12.333 -4.391 1.00 64.34 C ATOM 893 CD1 ILE A 58 0.093 12.858 -5.329 1.00 32.45 C ATOM 0 H ILE A 58 1.229 8.506 -3.284 1.00 74.31 H new ATOM 0 HA ILE A 58 2.963 9.812 -5.283 1.00 62.00 H new ATOM 0 HB ILE A 58 1.383 11.356 -3.229 1.00 10.15 H new ATOM 0 HG12 ILE A 58 1.107 11.214 -6.251 1.00 23.45 H new ATOM 0 HG13 ILE A 58 -0.089 10.742 -5.060 1.00 23.45 H new ATOM 0 HG21 ILE A 58 2.475 13.323 -4.320 1.00 64.34 H new ATOM 0 HG22 ILE A 58 3.676 12.219 -3.609 1.00 64.34 H new ATOM 0 HG23 ILE A 58 3.397 12.218 -5.367 1.00 64.34 H new ATOM 0 HD11 ILE A 58 -0.681 12.882 -6.096 1.00 32.45 H new ATOM 0 HD12 ILE A 58 -0.346 13.106 -4.363 1.00 32.45 H new ATOM 0 HD13 ILE A 58 0.868 13.585 -5.572 1.00 32.45 H new ATOM 905 N ILE A 59 4.769 9.716 -3.539 1.00 50.20 N ATOM 906 CA ILE A 59 5.885 9.595 -2.608 1.00 42.41 C ATOM 907 C ILE A 59 6.376 11.017 -2.321 1.00 43.32 C ATOM 908 O ILE A 59 6.455 11.832 -3.249 1.00 1.14 O ATOM 909 CB ILE A 59 7.011 8.722 -3.220 1.00 11.02 C ATOM 910 CG1 ILE A 59 6.517 7.429 -3.915 1.00 70.34 C ATOM 911 CG2 ILE A 59 8.078 8.382 -2.161 1.00 11.11 C ATOM 912 CD1 ILE A 59 5.822 6.418 -3.000 1.00 72.40 C ATOM 0 H ILE A 59 5.068 9.930 -4.490 1.00 50.20 H new ATOM 0 HA ILE A 59 5.577 9.105 -1.684 1.00 42.41 H new ATOM 0 HB ILE A 59 7.450 9.335 -4.008 1.00 11.02 H new ATOM 0 HG12 ILE A 59 5.828 7.706 -4.713 1.00 70.34 H new ATOM 0 HG13 ILE A 59 7.370 6.941 -4.386 1.00 70.34 H new ATOM 0 HG21 ILE A 59 8.857 7.769 -2.614 1.00 11.11 H new ATOM 0 HG22 ILE A 59 8.517 9.303 -1.778 1.00 11.11 H new ATOM 0 HG23 ILE A 59 7.615 7.833 -1.341 1.00 11.11 H new ATOM 0 HD11 ILE A 59 5.515 5.550 -3.584 1.00 72.40 H new ATOM 0 HD12 ILE A 59 6.511 6.103 -2.216 1.00 72.40 H new ATOM 0 HD13 ILE A 59 4.944 6.880 -2.548 1.00 72.40 H new ATOM 924 N SER A 60 6.734 11.309 -1.073 1.00 71.21 N ATOM 925 CA SER A 60 7.395 12.527 -0.637 1.00 30.15 C ATOM 926 C SER A 60 8.826 12.174 -0.258 1.00 33.42 C ATOM 927 O SER A 60 9.063 11.357 0.628 1.00 70.22 O ATOM 928 CB SER A 60 6.667 13.137 0.559 1.00 10.21 C ATOM 929 OG SER A 60 5.382 13.593 0.184 1.00 51.03 O ATOM 0 H SER A 60 6.560 10.665 -0.301 1.00 71.21 H new ATOM 0 HA SER A 60 7.386 13.263 -1.441 1.00 30.15 H new ATOM 0 HB2 SER A 60 6.578 12.396 1.353 1.00 10.21 H new ATOM 0 HB3 SER A 60 7.249 13.966 0.961 1.00 10.21 H new ATOM 0 HG SER A 60 4.931 13.979 0.964 1.00 51.03 H new ATOM 935 N LEU A 61 9.782 12.787 -0.949 1.00 24.11 N ATOM 936 CA LEU A 61 11.217 12.549 -0.809 1.00 65.44 C ATOM 937 C LEU A 61 11.795 13.297 0.402 1.00 25.21 C ATOM 938 O LEU A 61 13.008 13.262 0.626 1.00 62.34 O ATOM 939 CB LEU A 61 11.937 13.037 -2.081 1.00 30.53 C ATOM 940 CG LEU A 61 11.599 12.315 -3.401 1.00 62.41 C ATOM 941 CD1 LEU A 61 10.214 12.663 -3.972 1.00 51.12 C ATOM 942 CD2 LEU A 61 12.648 12.682 -4.454 1.00 24.13 C ATOM 0 H LEU A 61 9.570 13.494 -1.653 1.00 24.11 H new ATOM 0 HA LEU A 61 11.370 11.480 -0.662 1.00 65.44 H new ATOM 0 HB2 LEU A 61 11.716 14.097 -2.209 1.00 30.53 H new ATOM 0 HB3 LEU A 61 13.011 12.953 -1.915 1.00 30.53 H new ATOM 0 HG LEU A 61 11.595 11.250 -3.169 1.00 62.41 H new ATOM 0 HD11 LEU A 61 10.055 12.114 -4.900 1.00 51.12 H new ATOM 0 HD12 LEU A 61 9.444 12.389 -3.251 1.00 51.12 H new ATOM 0 HD13 LEU A 61 10.161 13.733 -4.170 1.00 51.12 H new ATOM 0 HD21 LEU A 61 12.416 12.175 -5.391 1.00 24.13 H new ATOM 0 HD22 LEU A 61 12.642 13.760 -4.614 1.00 24.13 H new ATOM 0 HD23 LEU A 61 13.634 12.372 -4.108 1.00 24.13 H new ATOM 954 N ASP A 62 10.961 14.042 1.132 1.00 25.42 N ATOM 955 CA ASP A 62 11.404 14.895 2.225 1.00 50.30 C ATOM 956 C ASP A 62 11.594 14.064 3.488 1.00 54.43 C ATOM 957 O ASP A 62 12.657 14.139 4.100 1.00 70.11 O ATOM 958 CB ASP A 62 10.419 16.054 2.430 1.00 23.42 C ATOM 959 CG ASP A 62 10.976 17.176 3.313 1.00 72.30 C ATOM 960 OD1 ASP A 62 12.207 17.427 3.312 1.00 71.54 O ATOM 961 OD2 ASP A 62 10.157 17.884 3.943 1.00 5.22 O ATOM 0 H ASP A 62 9.953 14.067 0.976 1.00 25.42 H new ATOM 0 HA ASP A 62 12.369 15.337 1.977 1.00 50.30 H new ATOM 0 HB2 ASP A 62 10.148 16.467 1.458 1.00 23.42 H new ATOM 0 HB3 ASP A 62 9.504 15.668 2.879 1.00 23.42 H new ATOM 966 N GLU A 63 10.614 13.219 3.829 1.00 64.32 N ATOM 967 CA GLU A 63 10.635 12.347 5.012 1.00 52.03 C ATOM 968 C GLU A 63 10.307 10.889 4.627 1.00 25.52 C ATOM 969 O GLU A 63 9.741 10.122 5.410 1.00 61.13 O ATOM 970 CB GLU A 63 9.681 12.915 6.076 1.00 2.11 C ATOM 971 CG GLU A 63 9.994 14.383 6.433 1.00 34.23 C ATOM 972 CD GLU A 63 10.138 14.601 7.930 1.00 50.30 C ATOM 973 OE1 GLU A 63 11.045 13.990 8.543 1.00 31.55 O ATOM 974 OE2 GLU A 63 9.357 15.417 8.475 1.00 32.15 O ATOM 0 H GLU A 63 9.762 13.119 3.277 1.00 64.32 H new ATOM 0 HA GLU A 63 11.637 12.326 5.441 1.00 52.03 H new ATOM 0 HB2 GLU A 63 8.655 12.844 5.714 1.00 2.11 H new ATOM 0 HB3 GLU A 63 9.744 12.305 6.977 1.00 2.11 H new ATOM 0 HG2 GLU A 63 10.915 14.686 5.935 1.00 34.23 H new ATOM 0 HG3 GLU A 63 9.199 15.024 6.051 1.00 34.23 H new ATOM 981 N LYS A 64 10.626 10.543 3.373 1.00 52.42 N ATOM 982 CA LYS A 64 10.464 9.261 2.690 1.00 31.44 C ATOM 983 C LYS A 64 9.100 8.633 2.961 1.00 33.14 C ATOM 984 O LYS A 64 8.988 7.474 3.354 1.00 63.13 O ATOM 985 CB LYS A 64 11.682 8.352 2.918 1.00 64.45 C ATOM 986 CG LYS A 64 11.824 7.356 1.758 1.00 33.23 C ATOM 987 CD LYS A 64 13.262 6.838 1.625 1.00 73.11 C ATOM 988 CE LYS A 64 13.362 5.896 0.419 1.00 61.41 C ATOM 989 NZ LYS A 64 13.344 6.644 -0.859 1.00 1.33 N ATOM 0 H LYS A 64 11.049 11.231 2.749 1.00 52.42 H new ATOM 0 HA LYS A 64 10.451 9.432 1.614 1.00 31.44 H new ATOM 0 HB2 LYS A 64 12.585 8.956 3.001 1.00 64.45 H new ATOM 0 HB3 LYS A 64 11.572 7.813 3.859 1.00 64.45 H new ATOM 0 HG2 LYS A 64 11.148 6.516 1.916 1.00 33.23 H new ATOM 0 HG3 LYS A 64 11.523 7.837 0.827 1.00 33.23 H new ATOM 0 HD2 LYS A 64 13.950 7.674 1.504 1.00 73.11 H new ATOM 0 HD3 LYS A 64 13.555 6.313 2.534 1.00 73.11 H new ATOM 0 HE2 LYS A 64 14.280 5.313 0.487 1.00 61.41 H new ATOM 0 HE3 LYS A 64 12.533 5.189 0.439 1.00 61.41 H new ATOM 0 HZ1 LYS A 64 13.532 5.991 -1.646 1.00 1.33 H new ATOM 0 HZ2 LYS A 64 12.411 7.085 -0.990 1.00 1.33 H new ATOM 0 HZ3 LYS A 64 14.076 7.382 -0.840 1.00 1.33 H new ATOM 1003 N LEU A 65 8.061 9.431 2.751 1.00 53.41 N ATOM 1004 CA LEU A 65 6.689 9.197 3.175 1.00 41.10 C ATOM 1005 C LEU A 65 5.869 8.874 1.920 1.00 5.43 C ATOM 1006 O LEU A 65 6.246 9.285 0.819 1.00 14.13 O ATOM 1007 CB LEU A 65 6.289 10.485 3.918 1.00 41.43 C ATOM 1008 CG LEU A 65 4.979 10.510 4.727 1.00 1.45 C ATOM 1009 CD1 LEU A 65 5.064 11.675 5.718 1.00 32.22 C ATOM 1010 CD2 LEU A 65 3.740 10.724 3.857 1.00 43.44 C ATOM 0 H LEU A 65 8.161 10.313 2.249 1.00 53.41 H new ATOM 0 HA LEU A 65 6.530 8.354 3.847 1.00 41.10 H new ATOM 0 HB2 LEU A 65 7.101 10.735 4.601 1.00 41.43 H new ATOM 0 HB3 LEU A 65 6.234 11.286 3.180 1.00 41.43 H new ATOM 0 HG LEU A 65 4.874 9.542 5.217 1.00 1.45 H new ATOM 0 HD11 LEU A 65 4.148 11.719 6.307 1.00 32.22 H new ATOM 0 HD12 LEU A 65 5.916 11.527 6.382 1.00 32.22 H new ATOM 0 HD13 LEU A 65 5.189 12.610 5.171 1.00 32.22 H new ATOM 0 HD21 LEU A 65 2.850 10.732 4.487 1.00 43.44 H new ATOM 0 HD22 LEU A 65 3.823 11.677 3.334 1.00 43.44 H new ATOM 0 HD23 LEU A 65 3.663 9.916 3.129 1.00 43.44 H new ATOM 1022 N ILE A 66 4.763 8.142 2.046 1.00 53.33 N ATOM 1023 CA ILE A 66 3.854 7.835 0.936 1.00 30.44 C ATOM 1024 C ILE A 66 2.425 8.133 1.372 1.00 71.21 C ATOM 1025 O ILE A 66 2.000 7.704 2.453 1.00 45.14 O ATOM 1026 CB ILE A 66 4.043 6.384 0.428 1.00 25.11 C ATOM 1027 CG1 ILE A 66 2.961 6.013 -0.620 1.00 22.11 C ATOM 1028 CG2 ILE A 66 4.060 5.343 1.559 1.00 22.53 C ATOM 1029 CD1 ILE A 66 3.148 4.642 -1.276 1.00 42.12 C ATOM 0 H ILE A 66 4.466 7.738 2.934 1.00 53.33 H new ATOM 0 HA ILE A 66 4.089 8.470 0.082 1.00 30.44 H new ATOM 0 HB ILE A 66 5.025 6.359 -0.044 1.00 25.11 H new ATOM 0 HG12 ILE A 66 1.984 6.040 -0.138 1.00 22.11 H new ATOM 0 HG13 ILE A 66 2.953 6.775 -1.399 1.00 22.11 H new ATOM 0 HG21 ILE A 66 4.196 4.348 1.136 1.00 22.53 H new ATOM 0 HG22 ILE A 66 4.881 5.561 2.242 1.00 22.53 H new ATOM 0 HG23 ILE A 66 3.116 5.381 2.102 1.00 22.53 H new ATOM 0 HD11 ILE A 66 2.346 4.469 -1.993 1.00 42.12 H new ATOM 0 HD12 ILE A 66 4.108 4.613 -1.791 1.00 42.12 H new ATOM 0 HD13 ILE A 66 3.124 3.866 -0.511 1.00 42.12 H new ATOM 1041 N LYS A 67 1.669 8.821 0.514 1.00 62.30 N ATOM 1042 CA LYS A 67 0.249 9.087 0.706 1.00 13.05 C ATOM 1043 C LYS A 67 -0.513 8.577 -0.503 1.00 70.12 C ATOM 1044 O LYS A 67 0.042 8.463 -1.601 1.00 52.31 O ATOM 1045 CB LYS A 67 -0.012 10.578 0.969 1.00 31.42 C ATOM 1046 CG LYS A 67 0.779 11.062 2.194 1.00 21.55 C ATOM 1047 CD LYS A 67 0.346 12.412 2.764 1.00 10.24 C ATOM 1048 CE LYS A 67 -1.047 12.299 3.375 1.00 44.23 C ATOM 1049 NZ LYS A 67 -1.216 13.173 4.550 1.00 12.24 N ATOM 0 H LYS A 67 2.038 9.216 -0.351 1.00 62.30 H new ATOM 0 HA LYS A 67 -0.104 8.559 1.591 1.00 13.05 H new ATOM 0 HB2 LYS A 67 0.272 11.162 0.093 1.00 31.42 H new ATOM 0 HB3 LYS A 67 -1.077 10.743 1.130 1.00 31.42 H new ATOM 0 HG2 LYS A 67 0.694 10.311 2.980 1.00 21.55 H new ATOM 0 HG3 LYS A 67 1.833 11.122 1.924 1.00 21.55 H new ATOM 0 HD2 LYS A 67 1.058 12.742 3.521 1.00 10.24 H new ATOM 0 HD3 LYS A 67 0.346 13.165 1.976 1.00 10.24 H new ATOM 0 HE2 LYS A 67 -1.793 12.557 2.623 1.00 44.23 H new ATOM 0 HE3 LYS A 67 -1.231 11.265 3.665 1.00 44.23 H new ATOM 0 HZ1 LYS A 67 -2.178 13.061 4.930 1.00 12.24 H new ATOM 0 HZ2 LYS A 67 -0.523 12.912 5.280 1.00 12.24 H new ATOM 0 HZ3 LYS A 67 -1.067 14.164 4.270 1.00 12.24 H new ATOM 1063 N LEU A 68 -1.782 8.262 -0.280 1.00 21.44 N ATOM 1064 CA LEU A 68 -2.720 7.780 -1.271 1.00 34.15 C ATOM 1065 C LEU A 68 -3.864 8.787 -1.342 1.00 74.00 C ATOM 1066 O LEU A 68 -4.159 9.438 -0.336 1.00 23.35 O ATOM 1067 CB LEU A 68 -3.227 6.394 -0.838 1.00 52.41 C ATOM 1068 CG LEU A 68 -2.264 5.196 -0.946 1.00 44.41 C ATOM 1069 CD1 LEU A 68 -1.436 5.227 -2.231 1.00 4.24 C ATOM 1070 CD2 LEU A 68 -1.310 5.037 0.241 1.00 12.15 C ATOM 0 H LEU A 68 -2.201 8.342 0.646 1.00 21.44 H new ATOM 0 HA LEU A 68 -2.259 7.682 -2.254 1.00 34.15 H new ATOM 0 HB2 LEU A 68 -3.550 6.468 0.200 1.00 52.41 H new ATOM 0 HB3 LEU A 68 -4.112 6.164 -1.431 1.00 52.41 H new ATOM 0 HG LEU A 68 -2.933 4.336 -0.952 1.00 44.41 H new ATOM 0 HD11 LEU A 68 -0.774 4.362 -2.258 1.00 4.24 H new ATOM 0 HD12 LEU A 68 -2.102 5.202 -3.094 1.00 4.24 H new ATOM 0 HD13 LEU A 68 -0.841 6.140 -2.259 1.00 4.24 H new ATOM 0 HD21 LEU A 68 -0.670 4.170 0.080 1.00 12.15 H new ATOM 0 HD22 LEU A 68 -0.693 5.931 0.334 1.00 12.15 H new ATOM 0 HD23 LEU A 68 -1.887 4.897 1.155 1.00 12.15 H new ATOM 1082 N TYR A 69 -4.490 8.912 -2.512 1.00 42.53 N ATOM 1083 CA TYR A 69 -5.496 9.915 -2.839 1.00 3.15 C ATOM 1084 C TYR A 69 -6.649 9.266 -3.600 1.00 45.53 C ATOM 1085 O TYR A 69 -6.410 8.468 -4.509 1.00 33.01 O ATOM 1086 CB TYR A 69 -4.874 11.023 -3.705 1.00 11.24 C ATOM 1087 CG TYR A 69 -3.918 11.952 -2.982 1.00 41.30 C ATOM 1088 CD1 TYR A 69 -2.588 11.566 -2.728 1.00 54.30 C ATOM 1089 CD2 TYR A 69 -4.368 13.214 -2.561 1.00 5.32 C ATOM 1090 CE1 TYR A 69 -1.732 12.417 -2.007 1.00 12.44 C ATOM 1091 CE2 TYR A 69 -3.525 14.071 -1.838 1.00 14.53 C ATOM 1092 CZ TYR A 69 -2.203 13.669 -1.548 1.00 5.55 C ATOM 1093 OH TYR A 69 -1.397 14.485 -0.816 1.00 24.34 O ATOM 0 H TYR A 69 -4.298 8.285 -3.293 1.00 42.53 H new ATOM 0 HA TYR A 69 -5.871 10.349 -1.912 1.00 3.15 H new ATOM 0 HB2 TYR A 69 -4.343 10.557 -4.535 1.00 11.24 H new ATOM 0 HB3 TYR A 69 -5.678 11.620 -4.135 1.00 11.24 H new ATOM 0 HD1 TYR A 69 -2.225 10.615 -3.088 1.00 54.30 H new ATOM 0 HD2 TYR A 69 -5.374 13.528 -2.796 1.00 5.32 H new ATOM 0 HE1 TYR A 69 -0.715 12.115 -1.804 1.00 12.44 H new ATOM 0 HE2 TYR A 69 -3.885 15.033 -1.505 1.00 14.53 H new ATOM 0 HH TYR A 69 -1.883 15.304 -0.586 1.00 24.34 H new ATOM 1103 N ASP A 70 -7.888 9.639 -3.265 1.00 43.44 N ATOM 1104 CA ASP A 70 -9.095 9.153 -3.948 1.00 62.01 C ATOM 1105 C ASP A 70 -9.375 10.019 -5.182 1.00 64.03 C ATOM 1106 O ASP A 70 -8.667 10.991 -5.460 1.00 53.33 O ATOM 1107 CB ASP A 70 -10.348 9.195 -3.033 1.00 44.41 C ATOM 1108 CG ASP A 70 -10.427 8.145 -1.922 1.00 51.44 C ATOM 1109 OD1 ASP A 70 -9.782 7.096 -2.037 1.00 24.44 O ATOM 1110 OD2 ASP A 70 -11.221 8.323 -0.966 1.00 62.04 O ATOM 0 H ASP A 70 -8.085 10.292 -2.506 1.00 43.44 H new ATOM 0 HA ASP A 70 -8.906 8.117 -4.228 1.00 62.01 H new ATOM 0 HB2 ASP A 70 -10.399 10.182 -2.572 1.00 44.41 H new ATOM 0 HB3 ASP A 70 -11.232 9.091 -3.662 1.00 44.41 H new ATOM 1115 N LYS A 71 -10.460 9.729 -5.910 1.00 11.12 N ATOM 1116 CA LYS A 71 -10.976 10.597 -6.974 1.00 24.21 C ATOM 1117 C LYS A 71 -11.476 11.937 -6.428 1.00 32.41 C ATOM 1118 O LYS A 71 -11.611 12.893 -7.187 1.00 10.11 O ATOM 1119 CB LYS A 71 -12.124 9.947 -7.766 1.00 5.32 C ATOM 1120 CG LYS A 71 -11.966 8.461 -8.137 1.00 72.03 C ATOM 1121 CD LYS A 71 -12.606 7.514 -7.111 1.00 31.01 C ATOM 1122 CE LYS A 71 -14.137 7.610 -7.042 1.00 42.34 C ATOM 1123 NZ LYS A 71 -14.836 6.920 -8.143 1.00 23.33 N ATOM 0 H LYS A 71 -11.008 8.879 -5.776 1.00 11.12 H new ATOM 0 HA LYS A 71 -10.129 10.760 -7.640 1.00 24.21 H new ATOM 0 HB2 LYS A 71 -13.040 10.055 -7.185 1.00 5.32 H new ATOM 0 HB3 LYS A 71 -12.262 10.513 -8.687 1.00 5.32 H new ATOM 0 HG2 LYS A 71 -12.416 8.287 -9.114 1.00 72.03 H new ATOM 0 HG3 LYS A 71 -10.906 8.226 -8.228 1.00 72.03 H new ATOM 0 HD2 LYS A 71 -12.327 6.489 -7.355 1.00 31.01 H new ATOM 0 HD3 LYS A 71 -12.194 7.731 -6.125 1.00 31.01 H new ATOM 0 HE2 LYS A 71 -14.474 7.191 -6.094 1.00 42.34 H new ATOM 0 HE3 LYS A 71 -14.425 8.661 -7.046 1.00 42.34 H new ATOM 0 HZ1 LYS A 71 -15.863 7.031 -8.025 1.00 23.33 H new ATOM 0 HZ2 LYS A 71 -14.545 7.333 -9.052 1.00 23.33 H new ATOM 0 HZ3 LYS A 71 -14.593 5.909 -8.129 1.00 23.33 H new ATOM 1137 N GLU A 72 -11.759 12.034 -5.125 1.00 10.14 N ATOM 1138 CA GLU A 72 -12.018 13.323 -4.493 1.00 64.01 C ATOM 1139 C GLU A 72 -10.749 14.196 -4.442 1.00 21.05 C ATOM 1140 O GLU A 72 -10.864 15.384 -4.146 1.00 32.13 O ATOM 1141 CB GLU A 72 -12.648 13.143 -3.096 1.00 64.41 C ATOM 1142 CG GLU A 72 -14.179 13.083 -3.162 1.00 33.15 C ATOM 1143 CD GLU A 72 -14.780 13.164 -1.755 1.00 74.03 C ATOM 1144 OE1 GLU A 72 -14.933 14.295 -1.241 1.00 62.03 O ATOM 1145 OE2 GLU A 72 -15.082 12.120 -1.141 1.00 65.00 O ATOM 0 H GLU A 72 -11.813 11.236 -4.493 1.00 10.14 H new ATOM 0 HA GLU A 72 -12.743 13.853 -5.111 1.00 64.01 H new ATOM 0 HB2 GLU A 72 -12.268 12.228 -2.642 1.00 64.41 H new ATOM 0 HB3 GLU A 72 -12.345 13.968 -2.452 1.00 64.41 H new ATOM 0 HG2 GLU A 72 -14.555 13.904 -3.772 1.00 33.15 H new ATOM 0 HG3 GLU A 72 -14.492 12.157 -3.645 1.00 33.15 H new ATOM 1152 N GLU A 73 -9.564 13.650 -4.755 1.00 32.42 N ATOM 1153 CA GLU A 73 -8.257 14.321 -4.801 1.00 45.23 C ATOM 1154 C GLU A 73 -7.797 14.819 -3.414 1.00 64.43 C ATOM 1155 O GLU A 73 -6.765 15.482 -3.289 1.00 70.12 O ATOM 1156 CB GLU A 73 -8.216 15.406 -5.903 1.00 33.34 C ATOM 1157 CG GLU A 73 -8.557 14.862 -7.308 1.00 22.23 C ATOM 1158 CD GLU A 73 -8.711 15.941 -8.386 1.00 3.21 C ATOM 1159 OE1 GLU A 73 -8.236 17.083 -8.207 1.00 21.44 O ATOM 1160 OE2 GLU A 73 -9.355 15.666 -9.429 1.00 32.34 O ATOM 0 H GLU A 73 -9.489 12.662 -4.999 1.00 32.42 H new ATOM 0 HA GLU A 73 -7.515 13.575 -5.087 1.00 45.23 H new ATOM 0 HB2 GLU A 73 -8.918 16.200 -5.648 1.00 33.34 H new ATOM 0 HB3 GLU A 73 -7.223 15.854 -5.926 1.00 33.34 H new ATOM 0 HG2 GLU A 73 -7.774 14.168 -7.615 1.00 22.23 H new ATOM 0 HG3 GLU A 73 -9.484 14.291 -7.248 1.00 22.23 H new ATOM 1167 N HIS A 74 -8.521 14.443 -2.358 1.00 31.21 N ATOM 1168 CA HIS A 74 -8.058 14.434 -0.981 1.00 62.43 C ATOM 1169 C HIS A 74 -7.191 13.198 -0.737 1.00 5.44 C ATOM 1170 O HIS A 74 -7.264 12.229 -1.497 1.00 3.21 O ATOM 1171 CB HIS A 74 -9.261 14.472 -0.027 1.00 11.45 C ATOM 1172 CG HIS A 74 -10.130 13.238 0.064 1.00 44.21 C ATOM 1173 ND1 HIS A 74 -11.080 13.011 1.035 1.00 41.52 N ATOM 1174 CD2 HIS A 74 -10.207 12.201 -0.826 1.00 11.42 C ATOM 1175 CE1 HIS A 74 -11.756 11.905 0.690 1.00 32.21 C ATOM 1176 NE2 HIS A 74 -11.225 11.353 -0.402 1.00 4.11 N ATOM 0 H HIS A 74 -9.486 14.124 -2.450 1.00 31.21 H new ATOM 0 HA HIS A 74 -7.449 15.318 -0.791 1.00 62.43 H new ATOM 0 HB2 HIS A 74 -8.888 14.693 0.973 1.00 11.45 H new ATOM 0 HB3 HIS A 74 -9.896 15.307 -0.322 1.00 11.45 H new ATOM 0 HD2 HIS A 74 -9.588 12.065 -1.701 1.00 11.42 H new ATOM 0 HE1 HIS A 74 -12.611 11.516 1.222 1.00 32.21 H new ATOM 0 HE2 HIS A 74 -11.510 10.478 -0.841 1.00 4.11 H new ATOM 1184 N CYS A 75 -6.398 13.216 0.334 1.00 31.14 N ATOM 1185 CA CYS A 75 -5.623 12.050 0.748 1.00 2.55 C ATOM 1186 C CYS A 75 -6.444 11.134 1.667 1.00 44.22 C ATOM 1187 O CYS A 75 -7.407 11.595 2.288 1.00 5.52 O ATOM 1188 CB CYS A 75 -4.312 12.498 1.404 1.00 65.24 C ATOM 1189 SG CYS A 75 -4.596 13.633 2.796 1.00 72.12 S ATOM 0 H CYS A 75 -6.276 14.032 0.933 1.00 31.14 H new ATOM 0 HA CYS A 75 -5.373 11.462 -0.135 1.00 2.55 H new ATOM 0 HB2 CYS A 75 -3.766 11.623 1.756 1.00 65.24 H new ATOM 0 HB3 CYS A 75 -3.684 12.988 0.660 1.00 65.24 H new ATOM 0 HG CYS A 75 -3.455 13.978 3.315 1.00 72.12 H new ATOM 1195 N THR A 76 -6.031 9.869 1.781 1.00 24.04 N ATOM 1196 CA THR A 76 -6.806 8.795 2.398 1.00 71.34 C ATOM 1197 C THR A 76 -6.058 8.186 3.589 1.00 73.52 C ATOM 1198 O THR A 76 -6.636 7.964 4.652 1.00 72.42 O ATOM 1199 CB THR A 76 -7.146 7.734 1.329 1.00 65.20 C ATOM 1200 OG1 THR A 76 -6.019 6.970 0.935 1.00 12.41 O ATOM 1201 CG2 THR A 76 -7.696 8.342 0.039 1.00 62.12 C ATOM 0 H THR A 76 -5.123 9.557 1.436 1.00 24.04 H new ATOM 0 HA THR A 76 -7.737 9.203 2.792 1.00 71.34 H new ATOM 0 HB THR A 76 -7.894 7.111 1.819 1.00 65.20 H new ATOM 0 HG1 THR A 76 -6.289 6.313 0.259 1.00 12.41 H new ATOM 0 HG21 THR A 76 -7.916 7.547 -0.673 1.00 62.12 H new ATOM 0 HG22 THR A 76 -8.609 8.896 0.258 1.00 62.12 H new ATOM 0 HG23 THR A 76 -6.956 9.018 -0.389 1.00 62.12 H new ATOM 1209 N GLU A 77 -4.756 7.935 3.429 1.00 21.15 N ATOM 1210 CA GLU A 77 -3.829 7.502 4.465 1.00 33.23 C ATOM 1211 C GLU A 77 -2.516 8.273 4.269 1.00 34.31 C ATOM 1212 O GLU A 77 -2.342 9.000 3.278 1.00 21.55 O ATOM 1213 CB GLU A 77 -3.593 5.971 4.413 1.00 1.21 C ATOM 1214 CG GLU A 77 -4.684 5.123 5.092 1.00 72.32 C ATOM 1215 CD GLU A 77 -4.340 3.626 5.054 1.00 14.32 C ATOM 1216 OE1 GLU A 77 -4.384 3.049 3.936 1.00 34.25 O ATOM 1217 OE2 GLU A 77 -3.956 3.036 6.094 1.00 64.23 O ATOM 0 H GLU A 77 -4.301 8.035 2.522 1.00 21.15 H new ATOM 0 HA GLU A 77 -4.247 7.714 5.449 1.00 33.23 H new ATOM 0 HB2 GLU A 77 -3.513 5.666 3.370 1.00 1.21 H new ATOM 0 HB3 GLU A 77 -2.635 5.750 4.884 1.00 1.21 H new ATOM 0 HG2 GLU A 77 -4.804 5.444 6.127 1.00 72.32 H new ATOM 0 HG3 GLU A 77 -5.639 5.291 4.594 1.00 72.32 H new ATOM 1224 N GLN A 78 -1.594 8.136 5.219 1.00 24.55 N ATOM 1225 CA GLN A 78 -0.164 8.287 4.999 1.00 24.13 C ATOM 1226 C GLN A 78 0.495 7.033 5.576 1.00 22.34 C ATOM 1227 O GLN A 78 -0.127 6.357 6.392 1.00 4.43 O ATOM 1228 CB GLN A 78 0.368 9.592 5.607 1.00 33.13 C ATOM 1229 CG GLN A 78 0.398 9.675 7.137 1.00 24.32 C ATOM 1230 CD GLN A 78 -0.231 10.973 7.629 1.00 33.15 C ATOM 1231 OE1 GLN A 78 -1.498 10.918 7.982 1.00 44.32 O flip ATOM 1232 NE2 GLN A 78 0.381 12.036 7.652 1.00 44.24 N flip ATOM 0 H GLN A 78 -1.830 7.911 6.186 1.00 24.55 H new ATOM 0 HA GLN A 78 0.072 8.371 3.938 1.00 24.13 H new ATOM 0 HB2 GLN A 78 1.381 9.752 5.237 1.00 33.13 H new ATOM 0 HB3 GLN A 78 -0.241 10.415 5.233 1.00 33.13 H new ATOM 0 HG2 GLN A 78 -0.137 8.825 7.561 1.00 24.32 H new ATOM 0 HG3 GLN A 78 1.428 9.611 7.488 1.00 24.32 H new ATOM 0 HE21 GLN A 78 1.363 12.065 7.376 1.00 44.24 H new ATOM 0 HE22 GLN A 78 -0.092 12.890 7.947 1.00 44.24 H new ATOM 1241 N TYR A 79 1.724 6.710 5.165 1.00 13.11 N ATOM 1242 CA TYR A 79 2.554 5.745 5.864 1.00 42.04 C ATOM 1243 C TYR A 79 3.984 6.269 5.859 1.00 25.22 C ATOM 1244 O TYR A 79 4.398 6.872 4.858 1.00 52.14 O ATOM 1245 CB TYR A 79 2.509 4.394 5.146 1.00 5.01 C ATOM 1246 CG TYR A 79 1.131 3.802 4.910 1.00 44.20 C ATOM 1247 CD1 TYR A 79 0.465 3.115 5.940 1.00 25.53 C ATOM 1248 CD2 TYR A 79 0.558 3.858 3.625 1.00 74.33 C ATOM 1249 CE1 TYR A 79 -0.725 2.420 5.662 1.00 51.02 C ATOM 1250 CE2 TYR A 79 -0.636 3.171 3.344 1.00 30.14 C ATOM 1251 CZ TYR A 79 -1.258 2.417 4.360 1.00 65.52 C ATOM 1252 OH TYR A 79 -2.288 1.584 4.050 1.00 41.32 O ATOM 0 H TYR A 79 2.165 7.114 4.338 1.00 13.11 H new ATOM 0 HA TYR A 79 2.193 5.610 6.884 1.00 42.04 H new ATOM 0 HB2 TYR A 79 3.004 4.503 4.181 1.00 5.01 H new ATOM 0 HB3 TYR A 79 3.094 3.679 5.725 1.00 5.01 H new ATOM 0 HD1 TYR A 79 0.867 3.121 6.943 1.00 25.53 H new ATOM 0 HD2 TYR A 79 1.040 4.434 2.849 1.00 74.33 H new ATOM 0 HE1 TYR A 79 -1.232 1.886 6.452 1.00 51.02 H new ATOM 0 HE2 TYR A 79 -1.073 3.220 2.358 1.00 30.14 H new ATOM 0 HH TYR A 79 -3.050 2.111 3.731 1.00 41.32 H new ATOM 1262 N HIS A 80 4.767 6.005 6.911 1.00 10.42 N ATOM 1263 CA HIS A 80 6.126 6.559 6.974 1.00 42.40 C ATOM 1264 C HIS A 80 7.160 5.782 6.177 1.00 10.44 C ATOM 1265 O HIS A 80 8.275 6.270 6.018 1.00 14.23 O ATOM 1266 CB HIS A 80 6.651 6.657 8.423 1.00 65.12 C ATOM 1267 CG HIS A 80 7.052 8.065 8.796 1.00 11.34 C ATOM 1268 ND1 HIS A 80 7.773 8.958 8.016 1.00 62.30 N ATOM 1269 CD2 HIS A 80 6.739 8.700 9.967 1.00 31.23 C ATOM 1270 CE1 HIS A 80 7.867 10.111 8.701 1.00 14.24 C ATOM 1271 NE2 HIS A 80 7.201 10.013 9.863 1.00 23.51 N ATOM 0 H HIS A 80 4.496 5.429 7.708 1.00 10.42 H new ATOM 0 HA HIS A 80 6.012 7.548 6.530 1.00 42.40 H new ATOM 0 HB2 HIS A 80 5.880 6.307 9.110 1.00 65.12 H new ATOM 0 HB3 HIS A 80 7.508 5.994 8.542 1.00 65.12 H new ATOM 0 HD2 HIS A 80 6.229 8.266 10.814 1.00 31.23 H new ATOM 0 HE1 HIS A 80 8.400 10.988 8.366 1.00 14.24 H new ATOM 0 HE2 HIS A 80 7.059 10.760 10.543 1.00 23.51 H new ATOM 1279 N ILE A 81 6.774 4.626 5.645 1.00 21.23 N ATOM 1280 CA ILE A 81 7.647 3.555 5.148 1.00 34.23 C ATOM 1281 C ILE A 81 8.648 3.081 6.234 1.00 12.04 C ATOM 1282 O ILE A 81 9.080 3.832 7.106 1.00 50.02 O ATOM 1283 CB ILE A 81 8.347 3.993 3.827 1.00 13.33 C ATOM 1284 CG1 ILE A 81 7.312 4.486 2.787 1.00 71.35 C ATOM 1285 CG2 ILE A 81 9.228 2.844 3.305 1.00 70.41 C ATOM 1286 CD1 ILE A 81 7.879 4.888 1.417 1.00 63.25 C ATOM 0 H ILE A 81 5.786 4.393 5.541 1.00 21.23 H new ATOM 0 HA ILE A 81 7.031 2.687 4.913 1.00 34.23 H new ATOM 0 HB ILE A 81 9.001 4.843 4.022 1.00 13.33 H new ATOM 0 HG12 ILE A 81 6.573 3.699 2.636 1.00 71.35 H new ATOM 0 HG13 ILE A 81 6.784 5.343 3.206 1.00 71.35 H new ATOM 0 HG21 ILE A 81 9.717 3.152 2.381 1.00 70.41 H new ATOM 0 HG22 ILE A 81 9.984 2.597 4.051 1.00 70.41 H new ATOM 0 HG23 ILE A 81 8.608 1.968 3.113 1.00 70.41 H new ATOM 0 HD11 ILE A 81 7.066 5.217 0.769 1.00 63.25 H new ATOM 0 HD12 ILE A 81 8.594 5.701 1.543 1.00 63.25 H new ATOM 0 HD13 ILE A 81 8.380 4.032 0.965 1.00 63.25 H new ATOM 1298 N LEU A 82 9.055 1.809 6.179 1.00 61.42 N ATOM 1299 CA LEU A 82 10.161 1.239 6.957 1.00 72.33 C ATOM 1300 C LEU A 82 11.039 0.427 6.009 1.00 65.12 C ATOM 1301 O LEU A 82 12.189 0.794 5.766 1.00 2.30 O ATOM 1302 CB LEU A 82 9.671 0.366 8.129 1.00 41.21 C ATOM 1303 CG LEU A 82 8.748 1.083 9.127 1.00 42.32 C ATOM 1304 CD1 LEU A 82 8.068 0.052 10.025 1.00 71.53 C ATOM 1305 CD2 LEU A 82 9.514 2.112 9.963 1.00 5.32 C ATOM 0 H LEU A 82 8.608 1.123 5.570 1.00 61.42 H new ATOM 0 HA LEU A 82 10.730 2.053 7.405 1.00 72.33 H new ATOM 0 HB2 LEU A 82 9.143 -0.498 7.724 1.00 41.21 H new ATOM 0 HB3 LEU A 82 10.539 -0.014 8.668 1.00 41.21 H new ATOM 0 HG LEU A 82 7.989 1.627 8.565 1.00 42.32 H new ATOM 0 HD11 LEU A 82 7.414 0.561 10.733 1.00 71.53 H new ATOM 0 HD12 LEU A 82 7.479 -0.631 9.413 1.00 71.53 H new ATOM 0 HD13 LEU A 82 8.825 -0.511 10.571 1.00 71.53 H new ATOM 0 HD21 LEU A 82 8.829 2.599 10.657 1.00 5.32 H new ATOM 0 HD22 LEU A 82 10.303 1.611 10.523 1.00 5.32 H new ATOM 0 HD23 LEU A 82 9.956 2.860 9.304 1.00 5.32 H new ATOM 1317 N LYS A 83 10.497 -0.624 5.385 1.00 33.21 N ATOM 1318 CA LYS A 83 11.195 -1.420 4.371 1.00 12.40 C ATOM 1319 C LYS A 83 10.267 -1.593 3.176 1.00 61.51 C ATOM 1320 O LYS A 83 9.053 -1.686 3.362 1.00 32.31 O ATOM 1321 CB LYS A 83 11.629 -2.774 4.960 1.00 5.43 C ATOM 1322 CG LYS A 83 12.682 -3.489 4.089 1.00 13.13 C ATOM 1323 CD LYS A 83 14.138 -3.251 4.518 1.00 25.41 C ATOM 1324 CE LYS A 83 15.063 -3.492 3.312 1.00 11.00 C ATOM 1325 NZ LYS A 83 16.433 -3.906 3.700 1.00 23.52 N ATOM 0 H LYS A 83 9.549 -0.950 5.573 1.00 33.21 H new ATOM 0 HA LYS A 83 12.102 -0.912 4.044 1.00 12.40 H new ATOM 0 HB2 LYS A 83 12.035 -2.618 5.960 1.00 5.43 H new ATOM 0 HB3 LYS A 83 10.755 -3.416 5.068 1.00 5.43 H new ATOM 0 HG2 LYS A 83 12.482 -4.560 4.108 1.00 13.13 H new ATOM 0 HG3 LYS A 83 12.563 -3.161 3.056 1.00 13.13 H new ATOM 0 HD2 LYS A 83 14.260 -2.233 4.888 1.00 25.41 H new ATOM 0 HD3 LYS A 83 14.404 -3.921 5.336 1.00 25.41 H new ATOM 0 HE2 LYS A 83 14.625 -4.260 2.674 1.00 11.00 H new ATOM 0 HE3 LYS A 83 15.121 -2.580 2.718 1.00 11.00 H new ATOM 0 HZ1 LYS A 83 17.007 -4.053 2.845 1.00 23.52 H new ATOM 0 HZ2 LYS A 83 16.867 -3.164 4.285 1.00 23.52 H new ATOM 0 HZ3 LYS A 83 16.387 -4.792 4.242 1.00 23.52 H new ATOM 1339 N LEU A 84 10.830 -1.646 1.972 1.00 50.02 N ATOM 1340 CA LEU A 84 10.251 -2.221 0.771 1.00 23.33 C ATOM 1341 C LEU A 84 11.358 -3.129 0.236 1.00 24.23 C ATOM 1342 O LEU A 84 12.531 -2.763 0.346 1.00 13.44 O ATOM 1343 CB LEU A 84 9.873 -1.071 -0.183 1.00 24.43 C ATOM 1344 CG LEU A 84 9.333 -1.407 -1.585 1.00 44.22 C ATOM 1345 CD1 LEU A 84 10.435 -1.693 -2.604 1.00 64.23 C ATOM 1346 CD2 LEU A 84 8.306 -2.530 -1.569 1.00 61.45 C ATOM 0 H LEU A 84 11.760 -1.264 1.803 1.00 50.02 H new ATOM 0 HA LEU A 84 9.335 -2.793 0.919 1.00 23.33 H new ATOM 0 HB2 LEU A 84 9.123 -0.460 0.320 1.00 24.43 H new ATOM 0 HB3 LEU A 84 10.758 -0.448 -0.313 1.00 24.43 H new ATOM 0 HG LEU A 84 8.824 -0.500 -1.911 1.00 44.22 H new ATOM 0 HD11 LEU A 84 9.986 -1.923 -3.570 1.00 64.23 H new ATOM 0 HD12 LEU A 84 11.077 -0.818 -2.701 1.00 64.23 H new ATOM 0 HD13 LEU A 84 11.029 -2.543 -2.269 1.00 64.23 H new ATOM 0 HD21 LEU A 84 7.961 -2.722 -2.585 1.00 61.45 H new ATOM 0 HD22 LEU A 84 8.761 -3.433 -1.163 1.00 61.45 H new ATOM 0 HD23 LEU A 84 7.459 -2.240 -0.948 1.00 61.45 H new ATOM 1358 N THR A 85 11.002 -4.305 -0.269 1.00 65.35 N ATOM 1359 CA THR A 85 11.877 -5.255 -0.957 1.00 61.34 C ATOM 1360 C THR A 85 11.097 -5.819 -2.157 1.00 4.43 C ATOM 1361 O THR A 85 9.998 -5.342 -2.445 1.00 23.54 O ATOM 1362 CB THR A 85 12.314 -6.370 0.011 1.00 44.12 C ATOM 1363 OG1 THR A 85 11.187 -7.123 0.394 1.00 45.15 O ATOM 1364 CG2 THR A 85 12.956 -5.858 1.298 1.00 34.13 C ATOM 0 H THR A 85 10.041 -4.643 -0.207 1.00 65.35 H new ATOM 0 HA THR A 85 12.785 -4.767 -1.310 1.00 61.34 H new ATOM 0 HB THR A 85 13.055 -6.956 -0.532 1.00 44.12 H new ATOM 0 HG1 THR A 85 10.581 -6.561 0.921 1.00 45.15 H new ATOM 0 HG21 THR A 85 13.236 -6.704 1.926 1.00 34.13 H new ATOM 0 HG22 THR A 85 13.845 -5.277 1.055 1.00 34.13 H new ATOM 0 HG23 THR A 85 12.246 -5.228 1.833 1.00 34.13 H new ATOM 1372 N SER A 86 11.603 -6.852 -2.837 1.00 52.01 N ATOM 1373 CA SER A 86 10.832 -7.507 -3.887 1.00 40.43 C ATOM 1374 C SER A 86 9.563 -8.195 -3.365 1.00 1.24 C ATOM 1375 O SER A 86 8.609 -8.301 -4.134 1.00 54.43 O ATOM 1376 CB SER A 86 11.739 -8.447 -4.690 1.00 24.40 C ATOM 1377 OG SER A 86 11.202 -8.702 -5.975 1.00 53.34 O ATOM 0 H SER A 86 12.531 -7.245 -2.679 1.00 52.01 H new ATOM 0 HA SER A 86 10.462 -6.736 -4.563 1.00 40.43 H new ATOM 0 HB2 SER A 86 12.730 -8.004 -4.788 1.00 24.40 H new ATOM 0 HB3 SER A 86 11.862 -9.387 -4.151 1.00 24.40 H new ATOM 0 HG SER A 86 11.801 -9.303 -6.466 1.00 53.34 H new ATOM 1383 N LYS A 87 9.506 -8.632 -2.094 1.00 51.22 N ATOM 1384 CA LYS A 87 8.423 -9.485 -1.570 1.00 21.20 C ATOM 1385 C LYS A 87 7.890 -9.106 -0.191 1.00 14.14 C ATOM 1386 O LYS A 87 6.854 -9.630 0.211 1.00 21.20 O ATOM 1387 CB LYS A 87 8.826 -10.968 -1.631 1.00 43.22 C ATOM 1388 CG LYS A 87 10.263 -11.299 -1.200 1.00 75.24 C ATOM 1389 CD LYS A 87 10.413 -12.815 -0.995 1.00 2.44 C ATOM 1390 CE LYS A 87 9.953 -13.282 0.393 1.00 22.24 C ATOM 1391 NZ LYS A 87 10.844 -12.818 1.483 1.00 4.32 N ATOM 0 H LYS A 87 10.214 -8.402 -1.397 1.00 51.22 H new ATOM 0 HA LYS A 87 7.578 -9.305 -2.234 1.00 21.20 H new ATOM 0 HB2 LYS A 87 8.140 -11.535 -1.002 1.00 43.22 H new ATOM 0 HB3 LYS A 87 8.685 -11.319 -2.653 1.00 43.22 H new ATOM 0 HG2 LYS A 87 10.967 -10.954 -1.957 1.00 75.24 H new ATOM 0 HG3 LYS A 87 10.505 -10.773 -0.277 1.00 75.24 H new ATOM 0 HD2 LYS A 87 9.836 -13.338 -1.758 1.00 2.44 H new ATOM 0 HD3 LYS A 87 11.457 -13.094 -1.138 1.00 2.44 H new ATOM 0 HE2 LYS A 87 8.942 -12.917 0.577 1.00 22.24 H new ATOM 0 HE3 LYS A 87 9.907 -14.371 0.407 1.00 22.24 H new ATOM 0 HZ1 LYS A 87 11.222 -13.640 1.996 1.00 4.32 H new ATOM 0 HZ2 LYS A 87 11.630 -12.270 1.079 1.00 4.32 H new ATOM 0 HZ3 LYS A 87 10.305 -12.218 2.140 1.00 4.32 H new ATOM 1405 N GLU A 88 8.552 -8.202 0.519 1.00 54.21 N ATOM 1406 CA GLU A 88 8.324 -7.932 1.933 1.00 5.02 C ATOM 1407 C GLU A 88 8.297 -6.411 2.089 1.00 4.44 C ATOM 1408 O GLU A 88 9.252 -5.736 1.681 1.00 33.32 O ATOM 1409 CB GLU A 88 9.455 -8.614 2.738 1.00 44.01 C ATOM 1410 CG GLU A 88 8.983 -9.219 4.068 1.00 2.04 C ATOM 1411 CD GLU A 88 9.965 -10.250 4.646 1.00 54.05 C ATOM 1412 OE1 GLU A 88 10.430 -11.134 3.889 1.00 30.51 O ATOM 1413 OE2 GLU A 88 10.230 -10.221 5.872 1.00 4.21 O ATOM 0 H GLU A 88 9.285 -7.619 0.115 1.00 54.21 H new ATOM 0 HA GLU A 88 7.382 -8.331 2.309 1.00 5.02 H new ATOM 0 HB2 GLU A 88 9.900 -9.400 2.128 1.00 44.01 H new ATOM 0 HB3 GLU A 88 10.239 -7.883 2.938 1.00 44.01 H new ATOM 0 HG2 GLU A 88 8.838 -8.418 4.793 1.00 2.04 H new ATOM 0 HG3 GLU A 88 8.013 -9.694 3.920 1.00 2.04 H new ATOM 1420 N MET A 89 7.201 -5.847 2.602 1.00 51.05 N ATOM 1421 CA MET A 89 7.026 -4.407 2.780 1.00 73.24 C ATOM 1422 C MET A 89 6.499 -4.140 4.185 1.00 30.53 C ATOM 1423 O MET A 89 5.639 -4.864 4.678 1.00 54.42 O ATOM 1424 CB MET A 89 6.095 -3.855 1.685 1.00 13.41 C ATOM 1425 CG MET A 89 5.737 -2.373 1.872 1.00 43.05 C ATOM 1426 SD MET A 89 5.118 -1.552 0.371 1.00 24.14 S ATOM 1427 CE MET A 89 3.348 -1.842 0.536 1.00 63.24 C ATOM 0 H MET A 89 6.395 -6.391 2.911 1.00 51.05 H new ATOM 0 HA MET A 89 7.979 -3.889 2.678 1.00 73.24 H new ATOM 0 HB2 MET A 89 6.573 -3.985 0.714 1.00 13.41 H new ATOM 0 HB3 MET A 89 5.177 -4.443 1.670 1.00 13.41 H new ATOM 0 HG2 MET A 89 4.982 -2.290 2.654 1.00 43.05 H new ATOM 0 HG3 MET A 89 6.620 -1.840 2.224 1.00 43.05 H new ATOM 0 HE1 MET A 89 2.800 -1.025 0.067 1.00 63.24 H new ATOM 0 HE2 MET A 89 3.086 -2.781 0.048 1.00 63.24 H new ATOM 0 HE3 MET A 89 3.085 -1.896 1.592 1.00 63.24 H new ATOM 1437 N LYS A 90 7.004 -3.082 4.823 1.00 5.12 N ATOM 1438 CA LYS A 90 6.602 -2.648 6.158 1.00 30.50 C ATOM 1439 C LYS A 90 6.335 -1.161 6.107 1.00 63.14 C ATOM 1440 O LYS A 90 7.264 -0.355 6.107 1.00 4.11 O ATOM 1441 CB LYS A 90 7.652 -3.006 7.220 1.00 21.41 C ATOM 1442 CG LYS A 90 7.733 -4.524 7.445 1.00 22.34 C ATOM 1443 CD LYS A 90 8.177 -4.914 8.861 1.00 10.23 C ATOM 1444 CE LYS A 90 9.672 -4.735 9.120 1.00 62.22 C ATOM 1445 NZ LYS A 90 10.104 -5.575 10.252 1.00 10.22 N ATOM 0 H LYS A 90 7.724 -2.488 4.411 1.00 5.12 H new ATOM 0 HA LYS A 90 5.695 -3.174 6.455 1.00 30.50 H new ATOM 0 HB2 LYS A 90 8.627 -2.631 6.909 1.00 21.41 H new ATOM 0 HB3 LYS A 90 7.404 -2.511 8.159 1.00 21.41 H new ATOM 0 HG2 LYS A 90 6.756 -4.965 7.246 1.00 22.34 H new ATOM 0 HG3 LYS A 90 8.429 -4.953 6.724 1.00 22.34 H new ATOM 0 HD2 LYS A 90 7.620 -4.315 9.582 1.00 10.23 H new ATOM 0 HD3 LYS A 90 7.911 -5.956 9.039 1.00 10.23 H new ATOM 0 HE2 LYS A 90 10.236 -5.001 8.226 1.00 62.22 H new ATOM 0 HE3 LYS A 90 9.887 -3.688 9.333 1.00 62.22 H new ATOM 0 HZ1 LYS A 90 11.122 -5.441 10.415 1.00 10.22 H new ATOM 0 HZ2 LYS A 90 9.578 -5.303 11.107 1.00 10.22 H new ATOM 0 HZ3 LYS A 90 9.916 -6.574 10.034 1.00 10.22 H new ATOM 1459 N TRP A 91 5.073 -0.800 5.956 1.00 4.34 N ATOM 1460 CA TRP A 91 4.529 0.533 6.084 1.00 3.43 C ATOM 1461 C TRP A 91 4.153 0.735 7.544 1.00 52.03 C ATOM 1462 O TRP A 91 3.301 0.019 8.067 1.00 13.00 O ATOM 1463 CB TRP A 91 3.295 0.673 5.190 1.00 32.30 C ATOM 1464 CG TRP A 91 3.541 1.102 3.770 1.00 54.21 C ATOM 1465 CD1 TRP A 91 2.569 1.613 2.988 1.00 65.34 C ATOM 1466 CD2 TRP A 91 4.753 1.127 2.932 1.00 70.12 C ATOM 1467 NE1 TRP A 91 3.114 2.128 1.845 1.00 24.34 N ATOM 1468 CE2 TRP A 91 4.439 1.802 1.715 1.00 52.33 C ATOM 1469 CE3 TRP A 91 6.072 0.629 3.018 1.00 25.41 C ATOM 1470 CZ2 TRP A 91 5.365 2.011 0.680 1.00 61.53 C ATOM 1471 CZ3 TRP A 91 6.994 0.784 1.964 1.00 31.31 C ATOM 1472 CH2 TRP A 91 6.660 1.503 0.808 1.00 74.11 C ATOM 0 H TRP A 91 4.352 -1.484 5.724 1.00 4.34 H new ATOM 0 HA TRP A 91 5.257 1.283 5.775 1.00 3.43 H new ATOM 0 HB2 TRP A 91 2.776 -0.285 5.172 1.00 32.30 H new ATOM 0 HB3 TRP A 91 2.619 1.393 5.652 1.00 32.30 H new ATOM 0 HD1 TRP A 91 1.516 1.615 3.229 1.00 65.34 H new ATOM 0 HE1 TRP A 91 2.596 2.689 1.169 1.00 24.34 H new ATOM 0 HE3 TRP A 91 6.382 0.115 3.916 1.00 25.41 H new ATOM 0 HZ2 TRP A 91 5.079 2.559 -0.206 1.00 61.53 H new ATOM 0 HZ3 TRP A 91 7.975 0.341 2.048 1.00 31.31 H new ATOM 0 HH2 TRP A 91 7.391 1.662 0.029 1.00 74.11 H new ATOM 1483 N GLU A 92 4.809 1.687 8.196 1.00 44.45 N ATOM 1484 CA GLU A 92 4.400 2.225 9.484 1.00 44.45 C ATOM 1485 C GLU A 92 3.181 3.123 9.285 1.00 2.03 C ATOM 1486 O GLU A 92 3.142 3.855 8.293 1.00 53.01 O ATOM 1487 CB GLU A 92 5.596 3.036 10.019 1.00 43.05 C ATOM 1488 CG GLU A 92 5.403 3.660 11.400 1.00 41.01 C ATOM 1489 CD GLU A 92 5.009 2.597 12.414 1.00 65.53 C ATOM 1490 OE1 GLU A 92 3.797 2.330 12.501 1.00 44.13 O ATOM 1491 OE2 GLU A 92 5.927 2.021 13.054 1.00 4.31 O ATOM 0 H GLU A 92 5.661 2.116 7.833 1.00 44.45 H new ATOM 0 HA GLU A 92 4.127 1.440 10.189 1.00 44.45 H new ATOM 0 HB2 GLU A 92 6.469 2.384 10.053 1.00 43.05 H new ATOM 0 HB3 GLU A 92 5.820 3.831 9.308 1.00 43.05 H new ATOM 0 HG2 GLU A 92 6.324 4.149 11.716 1.00 41.01 H new ATOM 0 HG3 GLU A 92 4.633 4.430 11.353 1.00 41.01 H new ATOM 1498 N ASN A 93 2.244 3.101 10.240 1.00 61.22 N ATOM 1499 CA ASN A 93 1.066 3.974 10.278 1.00 50.34 C ATOM 1500 C ASN A 93 1.496 5.436 10.278 1.00 12.12 C ATOM 1501 O ASN A 93 0.918 6.243 9.559 1.00 22.24 O ATOM 1502 CB ASN A 93 0.207 3.667 11.525 1.00 54.13 C ATOM 1503 CG ASN A 93 -0.429 4.903 12.164 1.00 22.53 C ATOM 1504 OD1 ASN A 93 0.104 5.396 13.152 1.00 3.11 O ATOM 1505 ND2 ASN A 93 -1.515 5.445 11.639 1.00 31.32 N ATOM 0 H ASN A 93 2.286 2.457 11.030 1.00 61.22 H new ATOM 0 HA ASN A 93 0.464 3.786 9.389 1.00 50.34 H new ATOM 0 HB2 ASN A 93 -0.582 2.968 11.247 1.00 54.13 H new ATOM 0 HB3 ASN A 93 0.829 3.166 12.267 1.00 54.13 H new ATOM 0 HD21 ASN A 93 -1.919 6.283 12.056 1.00 31.32 H new ATOM 0 HD22 ASN A 93 -1.948 5.025 10.817 1.00 31.32 H new ATOM 1512 N ALA A 94 2.506 5.756 11.089 1.00 3.15 N ATOM 1513 CA ALA A 94 3.004 7.085 11.414 1.00 33.45 C ATOM 1514 C ALA A 94 2.018 7.869 12.272 1.00 25.22 C ATOM 1515 O ALA A 94 2.394 8.291 13.366 1.00 65.54 O ATOM 1516 CB ALA A 94 3.391 7.885 10.170 1.00 42.03 C ATOM 0 H ALA A 94 3.036 5.031 11.572 1.00 3.15 H new ATOM 0 HA ALA A 94 3.911 6.931 11.998 1.00 33.45 H new ATOM 0 HB1 ALA A 94 3.756 8.868 10.468 1.00 42.03 H new ATOM 0 HB2 ALA A 94 4.175 7.357 9.627 1.00 42.03 H new ATOM 0 HB3 ALA A 94 2.519 8.002 9.527 1.00 42.03 H new ATOM 1522 N SER A 95 0.800 8.071 11.772 1.00 43.44 N ATOM 1523 CA SER A 95 -0.154 9.035 12.287 1.00 62.53 C ATOM 1524 C SER A 95 -1.396 8.335 12.848 1.00 33.31 C ATOM 1525 O SER A 95 -2.395 8.180 12.137 1.00 14.13 O ATOM 1526 CB SER A 95 -0.446 10.081 11.209 1.00 52.32 C ATOM 1527 OG SER A 95 0.755 10.772 10.889 1.00 54.13 O ATOM 0 H SER A 95 0.445 7.548 10.972 1.00 43.44 H new ATOM 0 HA SER A 95 0.268 9.572 13.137 1.00 62.53 H new ATOM 0 HB2 SER A 95 -0.851 9.600 10.319 1.00 52.32 H new ATOM 0 HB3 SER A 95 -1.201 10.784 11.562 1.00 52.32 H new ATOM 0 HG SER A 95 0.573 11.442 10.197 1.00 54.13 H new ATOM 1533 N PRO A 96 -1.389 7.895 14.123 1.00 25.35 N ATOM 1534 CA PRO A 96 -2.553 7.253 14.737 1.00 13.01 C ATOM 1535 C PRO A 96 -3.736 8.226 14.818 1.00 54.02 C ATOM 1536 O PRO A 96 -4.897 7.826 14.889 1.00 12.41 O ATOM 1537 CB PRO A 96 -2.085 6.800 16.124 1.00 21.24 C ATOM 1538 CG PRO A 96 -0.930 7.744 16.457 1.00 11.01 C ATOM 1539 CD PRO A 96 -0.309 8.035 15.093 1.00 13.43 C ATOM 0 HA PRO A 96 -2.911 6.407 14.151 1.00 13.01 H new ATOM 0 HB2 PRO A 96 -2.886 6.876 16.859 1.00 21.24 H new ATOM 0 HB3 PRO A 96 -1.759 5.760 16.114 1.00 21.24 H new ATOM 0 HG2 PRO A 96 -1.282 8.655 16.941 1.00 11.01 H new ATOM 0 HG3 PRO A 96 -0.213 7.279 17.134 1.00 11.01 H new ATOM 0 HD2 PRO A 96 0.115 9.039 15.063 1.00 13.43 H new ATOM 0 HD3 PRO A 96 0.502 7.340 14.877 1.00 13.43 H new ATOM 1547 N LYS A 97 -3.450 9.528 14.772 1.00 52.03 N ATOM 1548 CA LYS A 97 -4.445 10.582 14.700 1.00 4.21 C ATOM 1549 C LYS A 97 -5.279 10.416 13.437 1.00 43.41 C ATOM 1550 O LYS A 97 -6.504 10.497 13.495 1.00 72.34 O ATOM 1551 CB LYS A 97 -3.768 11.961 14.712 1.00 13.41 C ATOM 1552 CG LYS A 97 -2.627 12.086 15.737 1.00 51.20 C ATOM 1553 CD LYS A 97 -2.106 13.522 15.734 1.00 25.35 C ATOM 1554 CE LYS A 97 -0.853 13.687 16.596 1.00 74.14 C ATOM 1555 NZ LYS A 97 -0.447 15.103 16.698 1.00 42.14 N ATOM 0 H LYS A 97 -2.493 9.881 14.784 1.00 52.03 H new ATOM 0 HA LYS A 97 -5.097 10.512 15.570 1.00 4.21 H new ATOM 0 HB2 LYS A 97 -3.374 12.170 13.717 1.00 13.41 H new ATOM 0 HB3 LYS A 97 -4.519 12.722 14.924 1.00 13.41 H new ATOM 0 HG2 LYS A 97 -2.984 11.818 16.731 1.00 51.20 H new ATOM 0 HG3 LYS A 97 -1.822 11.394 15.490 1.00 51.20 H new ATOM 0 HD2 LYS A 97 -1.882 13.823 14.710 1.00 25.35 H new ATOM 0 HD3 LYS A 97 -2.886 14.190 16.099 1.00 25.35 H new ATOM 0 HE2 LYS A 97 -1.041 13.289 17.593 1.00 74.14 H new ATOM 0 HE3 LYS A 97 -0.037 13.104 16.169 1.00 74.14 H new ATOM 0 HZ1 LYS A 97 0.405 15.178 17.289 1.00 42.14 H new ATOM 0 HZ2 LYS A 97 -0.244 15.475 15.748 1.00 42.14 H new ATOM 0 HZ3 LYS A 97 -1.216 15.655 17.128 1.00 42.14 H new ATOM 1569 N ASP A 98 -4.636 10.202 12.288 1.00 10.42 N ATOM 1570 CA ASP A 98 -5.311 10.163 10.994 1.00 43.34 C ATOM 1571 C ASP A 98 -6.160 8.898 10.869 1.00 43.24 C ATOM 1572 O ASP A 98 -7.299 9.000 10.418 1.00 3.11 O ATOM 1573 CB ASP A 98 -4.313 10.264 9.837 1.00 73.13 C ATOM 1574 CG ASP A 98 -4.111 11.697 9.334 1.00 21.41 C ATOM 1575 OD1 ASP A 98 -3.234 12.394 9.878 1.00 64.41 O ATOM 1576 OD2 ASP A 98 -4.729 12.114 8.328 1.00 70.50 O ATOM 0 H ASP A 98 -3.629 10.051 12.231 1.00 10.42 H new ATOM 0 HA ASP A 98 -5.970 11.030 10.936 1.00 43.34 H new ATOM 0 HB2 ASP A 98 -3.353 9.860 10.158 1.00 73.13 H new ATOM 0 HB3 ASP A 98 -4.660 9.642 9.012 1.00 73.13 H new ATOM 1581 N GLY A 99 -5.649 7.741 11.314 1.00 72.12 N ATOM 1582 CA GLY A 99 -6.369 6.462 11.252 1.00 41.22 C ATOM 1583 C GLY A 99 -5.753 5.428 10.303 1.00 2.25 C ATOM 1584 O GLY A 99 -6.472 4.561 9.806 1.00 34.55 O ATOM 0 H GLY A 99 -4.720 7.666 11.729 1.00 72.12 H new ATOM 0 HA2 GLY A 99 -6.412 6.036 12.254 1.00 41.22 H new ATOM 0 HA3 GLY A 99 -7.396 6.653 10.942 1.00 41.22 H new ATOM 1588 N ASN A 100 -4.456 5.553 10.002 1.00 41.33 N ATOM 1589 CA ASN A 100 -3.743 4.724 9.016 1.00 11.02 C ATOM 1590 C ASN A 100 -3.275 3.424 9.672 1.00 14.35 C ATOM 1591 O ASN A 100 -3.289 3.336 10.897 1.00 22.21 O ATOM 1592 CB ASN A 100 -2.527 5.474 8.420 1.00 10.14 C ATOM 1593 CG ASN A 100 -2.707 6.985 8.353 1.00 71.41 C ATOM 1594 OD1 ASN A 100 -3.801 7.457 7.800 1.00 12.31 O flip ATOM 1595 ND2 ASN A 100 -1.923 7.773 8.860 1.00 73.50 N flip ATOM 0 H ASN A 100 -3.856 6.249 10.446 1.00 41.33 H new ATOM 0 HA ASN A 100 -4.434 4.499 8.204 1.00 11.02 H new ATOM 0 HB2 ASN A 100 -1.644 5.249 9.019 1.00 10.14 H new ATOM 0 HB3 ASN A 100 -2.336 5.096 7.416 1.00 10.14 H new ATOM 0 HD21 ASN A 100 -1.066 7.431 9.296 1.00 73.50 H new ATOM 0 HD22 ASN A 100 -2.125 8.773 8.848 1.00 73.50 H new ATOM 1602 N SER A 101 -2.782 2.459 8.897 1.00 62.13 N ATOM 1603 CA SER A 101 -2.488 1.118 9.412 1.00 25.21 C ATOM 1604 C SER A 101 -0.989 0.774 9.392 1.00 52.30 C ATOM 1605 O SER A 101 -0.290 1.090 8.437 1.00 4.41 O ATOM 1606 CB SER A 101 -3.264 0.123 8.561 1.00 4.44 C ATOM 1607 OG SER A 101 -4.627 0.480 8.426 1.00 13.35 O ATOM 0 H SER A 101 -2.576 2.580 7.905 1.00 62.13 H new ATOM 0 HA SER A 101 -2.788 1.076 10.459 1.00 25.21 H new ATOM 0 HB2 SER A 101 -2.808 0.060 7.573 1.00 4.44 H new ATOM 0 HB3 SER A 101 -3.193 -0.868 9.009 1.00 4.44 H new ATOM 0 HG SER A 101 -5.086 -0.185 7.871 1.00 13.35 H new ATOM 1613 N ASP A 102 -0.500 0.029 10.382 1.00 52.04 N ATOM 1614 CA ASP A 102 0.901 -0.349 10.581 1.00 24.55 C ATOM 1615 C ASP A 102 1.146 -1.831 10.251 1.00 41.33 C ATOM 1616 O ASP A 102 1.872 -2.531 10.963 1.00 12.11 O ATOM 1617 CB ASP A 102 1.353 0.012 12.013 1.00 42.15 C ATOM 1618 CG ASP A 102 0.648 -0.747 13.149 1.00 72.52 C ATOM 1619 OD1 ASP A 102 -0.556 -1.067 13.012 1.00 5.45 O ATOM 1620 OD2 ASP A 102 1.275 -0.946 14.220 1.00 25.21 O ATOM 0 H ASP A 102 -1.105 -0.350 11.110 1.00 52.04 H new ATOM 0 HA ASP A 102 1.512 0.222 9.882 1.00 24.55 H new ATOM 0 HB2 ASP A 102 2.425 -0.169 12.092 1.00 42.15 H new ATOM 0 HB3 ASP A 102 1.198 1.080 12.164 1.00 42.15 H new ATOM 1625 N LYS A 103 0.581 -2.312 9.137 1.00 51.04 N ATOM 1626 CA LYS A 103 0.636 -3.727 8.726 1.00 53.35 C ATOM 1627 C LYS A 103 1.945 -4.045 7.987 1.00 61.55 C ATOM 1628 O LYS A 103 2.811 -3.171 7.907 1.00 61.35 O ATOM 1629 CB LYS A 103 -0.627 -4.089 7.924 1.00 61.25 C ATOM 1630 CG LYS A 103 -0.726 -3.442 6.538 1.00 13.30 C ATOM 1631 CD LYS A 103 -1.526 -2.124 6.526 1.00 13.02 C ATOM 1632 CE LYS A 103 -2.097 -1.809 5.132 1.00 5.34 C ATOM 1633 NZ LYS A 103 -3.275 -0.912 5.179 1.00 11.14 N ATOM 0 H LYS A 103 0.064 -1.723 8.484 1.00 51.04 H new ATOM 0 HA LYS A 103 0.643 -4.361 9.612 1.00 53.35 H new ATOM 0 HB2 LYS A 103 -0.665 -5.172 7.806 1.00 61.25 H new ATOM 0 HB3 LYS A 103 -1.503 -3.801 8.506 1.00 61.25 H new ATOM 0 HG2 LYS A 103 0.280 -3.250 6.164 1.00 13.30 H new ATOM 0 HG3 LYS A 103 -1.193 -4.147 5.850 1.00 13.30 H new ATOM 0 HD2 LYS A 103 -2.342 -2.189 7.246 1.00 13.02 H new ATOM 0 HD3 LYS A 103 -0.882 -1.306 6.847 1.00 13.02 H new ATOM 0 HE2 LYS A 103 -1.320 -1.348 4.523 1.00 5.34 H new ATOM 0 HE3 LYS A 103 -2.376 -2.741 4.640 1.00 5.34 H new ATOM 0 HZ1 LYS A 103 -3.958 -1.198 4.449 1.00 11.14 H new ATOM 0 HZ2 LYS A 103 -3.722 -0.975 6.116 1.00 11.14 H new ATOM 0 HZ3 LYS A 103 -2.972 0.068 5.005 1.00 11.14 H new ATOM 1647 N ARG A 104 2.108 -5.235 7.385 1.00 54.02 N ATOM 1648 CA ARG A 104 3.322 -5.637 6.656 1.00 4.20 C ATOM 1649 C ARG A 104 2.993 -6.382 5.348 1.00 24.23 C ATOM 1650 O ARG A 104 2.946 -7.607 5.340 1.00 2.43 O ATOM 1651 CB ARG A 104 4.266 -6.491 7.540 1.00 31.52 C ATOM 1652 CG ARG A 104 4.605 -5.887 8.911 1.00 63.34 C ATOM 1653 CD ARG A 104 3.621 -6.363 9.982 1.00 11.20 C ATOM 1654 NE ARG A 104 3.606 -5.486 11.159 1.00 65.11 N ATOM 1655 CZ ARG A 104 3.102 -5.836 12.349 1.00 42.04 C ATOM 1656 NH1 ARG A 104 2.629 -7.060 12.567 1.00 14.31 N ATOM 1657 NH2 ARG A 104 3.068 -4.960 13.342 1.00 41.14 N ATOM 0 H ARG A 104 1.387 -5.957 7.392 1.00 54.02 H new ATOM 0 HA ARG A 104 3.841 -4.715 6.394 1.00 4.20 H new ATOM 0 HB2 ARG A 104 3.807 -7.468 7.695 1.00 31.52 H new ATOM 0 HB3 ARG A 104 5.195 -6.658 6.995 1.00 31.52 H new ATOM 0 HG2 ARG A 104 5.619 -6.168 9.194 1.00 63.34 H new ATOM 0 HG3 ARG A 104 4.581 -4.799 8.848 1.00 63.34 H new ATOM 0 HD2 ARG A 104 2.619 -6.411 9.555 1.00 11.20 H new ATOM 0 HD3 ARG A 104 3.885 -7.375 10.290 1.00 11.20 H new ATOM 0 HE ARG A 104 4.004 -4.552 11.064 1.00 65.11 H new ATOM 0 HH11 ARG A 104 2.646 -7.754 11.820 1.00 14.31 H new ATOM 0 HH12 ARG A 104 2.250 -7.305 13.482 1.00 14.31 H new ATOM 0 HH21 ARG A 104 3.426 -4.015 13.201 1.00 41.14 H new ATOM 0 HH22 ARG A 104 2.683 -5.230 14.247 1.00 41.14 H new ATOM 1671 N LEU A 105 2.739 -5.689 4.230 1.00 13.42 N ATOM 1672 CA LEU A 105 2.238 -6.307 2.991 1.00 34.53 C ATOM 1673 C LEU A 105 3.293 -7.306 2.491 1.00 70.51 C ATOM 1674 O LEU A 105 4.410 -6.905 2.155 1.00 25.11 O ATOM 1675 CB LEU A 105 1.932 -5.296 1.866 1.00 74.43 C ATOM 1676 CG LEU A 105 0.861 -4.189 2.026 1.00 62.25 C ATOM 1677 CD1 LEU A 105 -0.463 -4.319 1.300 1.00 32.24 C ATOM 1678 CD2 LEU A 105 0.769 -3.561 3.394 1.00 74.15 C ATOM 0 H LEU A 105 2.875 -4.681 4.157 1.00 13.42 H new ATOM 0 HA LEU A 105 1.292 -6.792 3.234 1.00 34.53 H new ATOM 0 HB2 LEU A 105 2.870 -4.794 1.631 1.00 74.43 H new ATOM 0 HB3 LEU A 105 1.653 -5.878 0.988 1.00 74.43 H new ATOM 0 HG LEU A 105 1.335 -3.439 1.392 1.00 62.25 H new ATOM 0 HD11 LEU A 105 -1.089 -3.456 1.527 1.00 32.24 H new ATOM 0 HD12 LEU A 105 -0.286 -4.366 0.226 1.00 32.24 H new ATOM 0 HD13 LEU A 105 -0.968 -5.229 1.625 1.00 32.24 H new ATOM 0 HD21 LEU A 105 -0.012 -2.800 3.393 1.00 74.15 H new ATOM 0 HD22 LEU A 105 0.528 -4.327 4.131 1.00 74.15 H new ATOM 0 HD23 LEU A 105 1.724 -3.101 3.648 1.00 74.15 H new ATOM 1690 N GLU A 106 2.927 -8.582 2.339 1.00 70.13 N ATOM 1691 CA GLU A 106 3.854 -9.637 1.912 1.00 54.04 C ATOM 1692 C GLU A 106 3.449 -10.068 0.505 1.00 31.22 C ATOM 1693 O GLU A 106 2.996 -11.191 0.280 1.00 43.12 O ATOM 1694 CB GLU A 106 3.876 -10.823 2.885 1.00 22.50 C ATOM 1695 CG GLU A 106 5.151 -11.657 2.687 1.00 52.32 C ATOM 1696 CD GLU A 106 5.018 -13.099 3.181 1.00 22.31 C ATOM 1697 OE1 GLU A 106 4.072 -13.810 2.759 1.00 23.40 O ATOM 1698 OE2 GLU A 106 5.979 -13.580 3.829 1.00 5.34 O ATOM 0 H GLU A 106 1.978 -8.914 2.509 1.00 70.13 H new ATOM 0 HA GLU A 106 4.872 -9.248 1.908 1.00 54.04 H new ATOM 0 HB2 GLU A 106 3.828 -10.460 3.912 1.00 22.50 H new ATOM 0 HB3 GLU A 106 2.997 -11.448 2.726 1.00 22.50 H new ATOM 0 HG2 GLU A 106 5.409 -11.666 1.628 1.00 52.32 H new ATOM 0 HG3 GLU A 106 5.976 -11.176 3.212 1.00 52.32 H new ATOM 1705 N LYS A 107 3.600 -9.158 -0.458 1.00 5.22 N ATOM 1706 CA LYS A 107 3.294 -9.434 -1.860 1.00 44.43 C ATOM 1707 C LYS A 107 1.862 -9.913 -2.079 1.00 44.32 C ATOM 1708 O LYS A 107 1.058 -9.865 -1.162 1.00 63.32 O ATOM 1709 CB LYS A 107 4.313 -10.455 -2.379 1.00 52.12 C ATOM 1710 CG LYS A 107 4.668 -10.161 -3.833 1.00 12.30 C ATOM 1711 CD LYS A 107 5.696 -9.043 -3.910 1.00 2.51 C ATOM 1712 CE LYS A 107 5.448 -8.030 -5.014 1.00 75.25 C ATOM 1713 NZ LYS A 107 6.325 -8.280 -6.173 1.00 1.23 N ATOM 0 H LYS A 107 3.937 -8.211 -0.287 1.00 5.22 H new ATOM 0 HA LYS A 107 3.370 -8.503 -2.422 1.00 44.43 H new ATOM 0 HB2 LYS A 107 5.213 -10.424 -1.765 1.00 52.12 H new ATOM 0 HB3 LYS A 107 3.904 -11.462 -2.294 1.00 52.12 H new ATOM 0 HG2 LYS A 107 5.062 -11.060 -4.307 1.00 12.30 H new ATOM 0 HG3 LYS A 107 3.771 -9.878 -4.383 1.00 12.30 H new ATOM 0 HD2 LYS A 107 5.717 -8.520 -2.954 1.00 2.51 H new ATOM 0 HD3 LYS A 107 6.682 -9.484 -4.054 1.00 2.51 H new ATOM 0 HE2 LYS A 107 4.405 -8.077 -5.327 1.00 75.25 H new ATOM 0 HE3 LYS A 107 5.622 -7.023 -4.633 1.00 75.25 H new ATOM 0 HZ1 LYS A 107 6.258 -7.483 -6.837 1.00 1.23 H new ATOM 0 HZ2 LYS A 107 7.308 -8.380 -5.849 1.00 1.23 H new ATOM 0 HZ3 LYS A 107 6.028 -9.154 -6.651 1.00 1.23 H new ATOM 1727 N TYR A 108 1.470 -10.298 -3.289 1.00 40.33 N ATOM 1728 CA TYR A 108 0.184 -10.947 -3.499 1.00 51.32 C ATOM 1729 C TYR A 108 0.375 -12.446 -3.279 1.00 4.44 C ATOM 1730 O TYR A 108 0.894 -13.134 -4.159 1.00 42.12 O ATOM 1731 CB TYR A 108 -0.420 -10.560 -4.853 1.00 33.04 C ATOM 1732 CG TYR A 108 -1.886 -10.918 -5.002 1.00 52.34 C ATOM 1733 CD1 TYR A 108 -2.825 -10.422 -4.077 1.00 75.42 C ATOM 1734 CD2 TYR A 108 -2.314 -11.755 -6.049 1.00 75.42 C ATOM 1735 CE1 TYR A 108 -4.161 -10.855 -4.125 1.00 24.00 C ATOM 1736 CE2 TYR A 108 -3.654 -12.178 -6.113 1.00 71.02 C ATOM 1737 CZ TYR A 108 -4.569 -11.760 -5.126 1.00 63.12 C ATOM 1738 OH TYR A 108 -5.841 -12.233 -5.129 1.00 72.11 O ATOM 0 H TYR A 108 2.024 -10.172 -4.136 1.00 40.33 H new ATOM 0 HA TYR A 108 -0.559 -10.604 -2.779 1.00 51.32 H new ATOM 0 HB2 TYR A 108 -0.303 -9.486 -4.997 1.00 33.04 H new ATOM 0 HB3 TYR A 108 0.145 -11.052 -5.645 1.00 33.04 H new ATOM 0 HD1 TYR A 108 -2.517 -9.707 -3.329 1.00 75.42 H new ATOM 0 HD2 TYR A 108 -1.612 -12.073 -6.805 1.00 75.42 H new ATOM 0 HE1 TYR A 108 -4.873 -10.495 -3.397 1.00 24.00 H new ATOM 0 HE2 TYR A 108 -3.981 -12.821 -6.916 1.00 71.02 H new ATOM 0 HH TYR A 108 -5.961 -12.845 -5.885 1.00 72.11 H new ATOM 1748 N ASN A 109 0.041 -12.896 -2.061 1.00 21.31 N ATOM 1749 CA ASN A 109 -0.090 -14.296 -1.670 1.00 40.15 C ATOM 1750 C ASN A 109 -1.345 -14.787 -2.371 1.00 11.42 C ATOM 1751 O ASN A 109 -2.460 -14.573 -1.884 1.00 33.22 O ATOM 1752 CB ASN A 109 -0.248 -14.472 -0.151 1.00 33.10 C ATOM 1753 CG ASN A 109 1.058 -14.714 0.579 1.00 53.15 C ATOM 1754 OD1 ASN A 109 1.319 -15.840 0.995 1.00 15.13 O ATOM 1755 ND2 ASN A 109 1.849 -13.691 0.840 1.00 5.20 N ATOM 0 H ASN A 109 -0.153 -12.258 -1.289 1.00 21.31 H new ATOM 0 HA ASN A 109 0.806 -14.853 -1.946 1.00 40.15 H new ATOM 0 HB2 ASN A 109 -0.723 -13.581 0.260 1.00 33.10 H new ATOM 0 HB3 ASN A 109 -0.920 -15.309 0.040 1.00 33.10 H new ATOM 0 HD21 ASN A 109 2.693 -13.828 1.396 1.00 5.20 H new ATOM 0 HD22 ASN A 109 1.616 -12.763 0.486 1.00 5.20 H new ATOM 1762 N ASP A 110 -1.132 -15.339 -3.547 1.00 23.41 N ATOM 1763 CA ASP A 110 -2.110 -15.609 -4.590 1.00 20.00 C ATOM 1764 C ASP A 110 -2.447 -17.091 -4.667 1.00 72.01 C ATOM 1765 O ASP A 110 -2.489 -17.673 -5.777 1.00 15.14 O ATOM 1766 CB ASP A 110 -1.560 -15.045 -5.907 1.00 11.54 C ATOM 1767 CG ASP A 110 -0.467 -15.868 -6.594 1.00 63.24 C ATOM 1768 OD1 ASP A 110 0.507 -16.292 -5.927 1.00 71.15 O ATOM 1769 OD2 ASP A 110 -0.492 -15.921 -7.846 1.00 43.33 O ATOM 0 H ASP A 110 -0.196 -15.636 -3.824 1.00 23.41 H new ATOM 0 HA ASP A 110 -3.056 -15.117 -4.365 1.00 20.00 H new ATOM 0 HB2 ASP A 110 -2.391 -14.931 -6.603 1.00 11.54 H new ATOM 0 HB3 ASP A 110 -1.166 -14.047 -5.714 1.00 11.54 H new