USER MOD reduce.3.24.130724 H: found=0, std=0, add=596, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 600 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 Single : A 12 THR OG1 : rot 160:sc= -2.59! USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 ASN : amide:sc= -7.33! C(o=-7.3!,f=-13!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -0.612 K(o=-0.61,f=-3.1!) USER MOD Single : A 25 LYS NZ :NH3+ 141:sc= -0.22 (180deg=-1.67!) USER MOD Single : A 28 GLN : amide:sc= -1.8! C(o=-1.8!,f=-2.1!) USER MOD Single : A 33 THR OG1 : rot -151:sc= -4.56! USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 CYS SG : rot 27:sc= -11.9! USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 162:sc= -2.09 (180deg=-3.03) USER MOD Single : A 45 THR OG1 : rot -170:sc= 0.038 USER MOD Single : A 56 TYR OH : rot -119:sc= 0.522 USER MOD Single : A 58 TYR OH : rot 24:sc= -0.218 USER MOD Single : A 59 GLN : amide:sc= -1.1! C(o=-1.1!,f=-7!) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot -164:sc= -4.68! USER MOD Single : A 65 SER OG : rot 129:sc= 0.233 USER MOD Single : A 67 LYS NZ :NH3+ -151:sc= -9.5! (180deg=-15.3!) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN : amide:sc= -11.8! C(o=-12!,f=-12!) USER MOD ----------------------------------------------------------------- ATOM 10 N GLU A 2 -9.974 8.297 -5.345 1.00 0.00 N ATOM 11 CA GLU A 2 -8.932 8.933 -6.202 1.00 0.00 C ATOM 12 C GLU A 2 -7.548 8.388 -5.842 1.00 0.00 C ATOM 13 O GLU A 2 -7.401 7.580 -4.947 1.00 0.00 O ATOM 14 CB GLU A 2 -9.019 10.428 -5.888 1.00 0.00 C ATOM 15 CG GLU A 2 -9.113 10.628 -4.374 1.00 0.00 C ATOM 16 CD GLU A 2 -8.378 11.910 -3.981 1.00 0.00 C ATOM 17 OE1 GLU A 2 -7.385 12.220 -4.619 1.00 0.00 O ATOM 18 OE2 GLU A 2 -8.820 12.561 -3.049 1.00 0.00 O ATOM 0 HA GLU A 2 -9.087 8.730 -7.262 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -8.142 10.944 -6.280 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -9.890 10.863 -6.378 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -10.158 10.687 -4.069 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -8.678 9.773 -3.856 1.00 0.00 H new ATOM 25 N TRP A 3 -6.530 8.824 -6.533 1.00 0.00 N ATOM 26 CA TRP A 3 -5.155 8.330 -6.229 1.00 0.00 C ATOM 27 C TRP A 3 -4.557 9.126 -5.066 1.00 0.00 C ATOM 28 O TRP A 3 -5.206 9.975 -4.489 1.00 0.00 O ATOM 29 CB TRP A 3 -4.354 8.563 -7.510 1.00 0.00 C ATOM 30 CG TRP A 3 -5.145 8.090 -8.688 1.00 0.00 C ATOM 31 CD1 TRP A 3 -5.633 6.837 -8.842 1.00 0.00 C ATOM 32 CD2 TRP A 3 -5.549 8.837 -9.871 1.00 0.00 C ATOM 33 NE1 TRP A 3 -6.311 6.768 -10.046 1.00 0.00 N ATOM 34 CE2 TRP A 3 -6.287 7.975 -10.717 1.00 0.00 C ATOM 35 CE3 TRP A 3 -5.349 10.165 -10.289 1.00 0.00 C ATOM 36 CZ2 TRP A 3 -6.808 8.416 -11.935 1.00 0.00 C ATOM 37 CZ3 TRP A 3 -5.872 10.611 -11.514 1.00 0.00 C ATOM 38 CH2 TRP A 3 -6.599 9.738 -12.335 1.00 0.00 C ATOM 0 H TRP A 3 -6.590 9.500 -7.294 1.00 0.00 H new ATOM 0 HA TRP A 3 -5.148 7.281 -5.934 1.00 0.00 H new ATOM 0 HB2 TRP A 3 -4.120 9.622 -7.617 1.00 0.00 H new ATOM 0 HB3 TRP A 3 -3.404 8.031 -7.459 1.00 0.00 H new ATOM 0 HD1 TRP A 3 -5.513 6.025 -8.140 1.00 0.00 H new ATOM 0 HE1 TRP A 3 -6.772 5.928 -10.396 1.00 0.00 H new ATOM 0 HE3 TRP A 3 -4.790 10.846 -9.664 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 -7.369 7.740 -12.563 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 -5.713 11.633 -11.825 1.00 0.00 H new ATOM 0 HH2 TRP A 3 -6.997 10.087 -13.276 1.00 0.00 H new ATOM 49 N GLU A 4 -3.327 8.859 -4.715 1.00 0.00 N ATOM 50 CA GLU A 4 -2.702 9.605 -3.585 1.00 0.00 C ATOM 51 C GLU A 4 -1.316 9.031 -3.262 1.00 0.00 C ATOM 52 O GLU A 4 -0.981 7.933 -3.656 1.00 0.00 O ATOM 53 CB GLU A 4 -3.664 9.400 -2.410 1.00 0.00 C ATOM 54 CG GLU A 4 -2.952 9.692 -1.086 1.00 0.00 C ATOM 55 CD GLU A 4 -2.684 11.193 -0.968 1.00 0.00 C ATOM 56 OE1 GLU A 4 -3.077 11.918 -1.868 1.00 0.00 O ATOM 57 OE2 GLU A 4 -2.091 11.592 0.021 1.00 0.00 O ATOM 0 H GLU A 4 -2.731 8.160 -5.159 1.00 0.00 H new ATOM 0 HA GLU A 4 -2.552 10.660 -3.815 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -4.528 10.056 -2.519 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -4.039 8.376 -2.412 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -3.565 9.355 -0.250 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -2.014 9.140 -1.037 1.00 0.00 H new ATOM 64 N ILE A 5 -0.514 9.771 -2.546 1.00 0.00 N ATOM 65 CA ILE A 5 0.848 9.285 -2.185 1.00 0.00 C ATOM 66 C ILE A 5 1.168 9.659 -0.739 1.00 0.00 C ATOM 67 O ILE A 5 0.425 10.367 -0.089 1.00 0.00 O ATOM 68 CB ILE A 5 1.801 9.993 -3.156 1.00 0.00 C ATOM 69 CG1 ILE A 5 3.216 10.060 -2.572 1.00 0.00 C ATOM 70 CG2 ILE A 5 1.312 11.417 -3.439 1.00 0.00 C ATOM 71 CD1 ILE A 5 4.135 10.801 -3.546 1.00 0.00 C ATOM 0 H ILE A 5 -0.746 10.699 -2.193 1.00 0.00 H new ATOM 0 HA ILE A 5 0.935 8.201 -2.260 1.00 0.00 H new ATOM 0 HB ILE A 5 1.820 9.421 -4.084 1.00 0.00 H new ATOM 0 HG12 ILE A 5 3.200 10.572 -1.610 1.00 0.00 H new ATOM 0 HG13 ILE A 5 3.595 9.054 -2.392 1.00 0.00 H new ATOM 0 HG21 ILE A 5 1.998 11.907 -4.130 1.00 0.00 H new ATOM 0 HG22 ILE A 5 0.317 11.379 -3.882 1.00 0.00 H new ATOM 0 HG23 ILE A 5 1.272 11.980 -2.507 1.00 0.00 H new ATOM 0 HD11 ILE A 5 5.142 10.849 -3.131 1.00 0.00 H new ATOM 0 HD12 ILE A 5 4.160 10.271 -4.498 1.00 0.00 H new ATOM 0 HD13 ILE A 5 3.759 11.812 -3.704 1.00 0.00 H new ATOM 83 N ILE A 6 2.270 9.189 -0.235 1.00 0.00 N ATOM 84 CA ILE A 6 2.640 9.520 1.175 1.00 0.00 C ATOM 85 C ILE A 6 4.128 9.868 1.281 1.00 0.00 C ATOM 86 O ILE A 6 4.768 10.211 0.307 1.00 0.00 O ATOM 87 CB ILE A 6 2.327 8.257 1.975 1.00 0.00 C ATOM 88 CG1 ILE A 6 3.301 7.149 1.573 1.00 0.00 C ATOM 89 CG2 ILE A 6 0.894 7.812 1.680 1.00 0.00 C ATOM 90 CD1 ILE A 6 4.211 6.813 2.758 1.00 0.00 C ATOM 0 H ILE A 6 2.932 8.592 -0.731 1.00 0.00 H new ATOM 0 HA ILE A 6 2.092 10.387 1.545 1.00 0.00 H new ATOM 0 HB ILE A 6 2.431 8.462 3.040 1.00 0.00 H new ATOM 0 HG12 ILE A 6 2.750 6.262 1.261 1.00 0.00 H new ATOM 0 HG13 ILE A 6 3.900 7.469 0.720 1.00 0.00 H new ATOM 0 HG21 ILE A 6 0.668 6.911 2.250 1.00 0.00 H new ATOM 0 HG22 ILE A 6 0.201 8.604 1.964 1.00 0.00 H new ATOM 0 HG23 ILE A 6 0.790 7.604 0.615 1.00 0.00 H new ATOM 0 HD11 ILE A 6 4.905 6.023 2.471 1.00 0.00 H new ATOM 0 HD12 ILE A 6 4.772 7.701 3.049 1.00 0.00 H new ATOM 0 HD13 ILE A 6 3.604 6.475 3.598 1.00 0.00 H new ATOM 102 N ASP A 7 4.681 9.781 2.461 1.00 0.00 N ATOM 103 CA ASP A 7 6.122 10.101 2.645 1.00 0.00 C ATOM 104 C ASP A 7 6.881 8.839 3.021 1.00 0.00 C ATOM 105 O ASP A 7 6.591 7.758 2.555 1.00 0.00 O ATOM 106 CB ASP A 7 6.148 11.111 3.795 1.00 0.00 C ATOM 107 CG ASP A 7 7.356 12.035 3.635 1.00 0.00 C ATOM 108 OD1 ASP A 7 7.272 12.958 2.841 1.00 0.00 O ATOM 109 OD2 ASP A 7 8.346 11.806 4.310 1.00 0.00 O ATOM 0 H ASP A 7 4.191 9.500 3.310 1.00 0.00 H new ATOM 0 HA ASP A 7 6.588 10.498 1.743 1.00 0.00 H new ATOM 0 HB2 ASP A 7 5.228 11.695 3.801 1.00 0.00 H new ATOM 0 HB3 ASP A 7 6.200 10.589 4.750 1.00 0.00 H new ATOM 114 N ILE A 8 7.842 8.974 3.869 1.00 0.00 N ATOM 115 CA ILE A 8 8.625 7.792 4.307 1.00 0.00 C ATOM 116 C ILE A 8 8.252 7.470 5.753 1.00 0.00 C ATOM 117 O ILE A 8 9.091 7.134 6.566 1.00 0.00 O ATOM 118 CB ILE A 8 10.090 8.219 4.205 1.00 0.00 C ATOM 119 CG1 ILE A 8 10.983 7.113 4.774 1.00 0.00 C ATOM 120 CG2 ILE A 8 10.305 9.506 5.003 1.00 0.00 C ATOM 121 CD1 ILE A 8 12.100 6.797 3.778 1.00 0.00 C ATOM 0 H ILE A 8 8.127 9.860 4.286 1.00 0.00 H new ATOM 0 HA ILE A 8 8.434 6.903 3.706 1.00 0.00 H new ATOM 0 HB ILE A 8 10.345 8.393 3.160 1.00 0.00 H new ATOM 0 HG12 ILE A 8 11.409 7.429 5.726 1.00 0.00 H new ATOM 0 HG13 ILE A 8 10.392 6.218 4.970 1.00 0.00 H new ATOM 0 HG21 ILE A 8 11.349 9.809 4.930 1.00 0.00 H new ATOM 0 HG22 ILE A 8 9.669 10.294 4.600 1.00 0.00 H new ATOM 0 HG23 ILE A 8 10.050 9.333 6.049 1.00 0.00 H new ATOM 0 HD11 ILE A 8 12.736 6.010 4.182 1.00 0.00 H new ATOM 0 HD12 ILE A 8 11.664 6.463 2.836 1.00 0.00 H new ATOM 0 HD13 ILE A 8 12.697 7.692 3.605 1.00 0.00 H new ATOM 133 N GLY A 9 6.996 7.608 6.083 1.00 0.00 N ATOM 134 CA GLY A 9 6.567 7.349 7.489 1.00 0.00 C ATOM 135 C GLY A 9 5.356 6.401 7.576 1.00 0.00 C ATOM 136 O GLY A 9 5.417 5.403 8.269 1.00 0.00 O ATOM 0 H GLY A 9 6.252 7.887 5.444 1.00 0.00 H new ATOM 0 HA2 GLY A 9 7.400 6.920 8.045 1.00 0.00 H new ATOM 0 HA3 GLY A 9 6.317 8.295 7.969 1.00 0.00 H new ATOM 140 N PRO A 10 4.274 6.749 6.918 1.00 0.00 N ATOM 141 CA PRO A 10 3.052 5.914 7.005 1.00 0.00 C ATOM 142 C PRO A 10 3.173 4.639 6.169 1.00 0.00 C ATOM 143 O PRO A 10 3.630 3.624 6.654 1.00 0.00 O ATOM 144 CB PRO A 10 1.951 6.827 6.480 1.00 0.00 C ATOM 145 CG PRO A 10 2.640 7.820 5.602 1.00 0.00 C ATOM 146 CD PRO A 10 4.082 7.910 6.041 1.00 0.00 C ATOM 0 HA PRO A 10 2.859 5.563 8.019 1.00 0.00 H new ATOM 0 HB2 PRO A 10 1.205 6.261 5.922 1.00 0.00 H new ATOM 0 HB3 PRO A 10 1.429 7.323 7.298 1.00 0.00 H new ATOM 0 HG2 PRO A 10 2.578 7.513 4.558 1.00 0.00 H new ATOM 0 HG3 PRO A 10 2.157 8.794 5.677 1.00 0.00 H new ATOM 0 HD2 PRO A 10 4.759 7.879 5.187 1.00 0.00 H new ATOM 0 HD3 PRO A 10 4.278 8.843 6.569 1.00 0.00 H new ATOM 154 N PHE A 11 2.748 4.666 4.930 1.00 0.00 N ATOM 155 CA PHE A 11 2.830 3.426 4.100 1.00 0.00 C ATOM 156 C PHE A 11 4.149 2.694 4.361 1.00 0.00 C ATOM 157 O PHE A 11 4.195 1.481 4.384 1.00 0.00 O ATOM 158 CB PHE A 11 2.715 3.877 2.646 1.00 0.00 C ATOM 159 CG PHE A 11 1.352 3.489 2.132 1.00 0.00 C ATOM 160 CD1 PHE A 11 0.937 2.153 2.193 1.00 0.00 C ATOM 161 CD2 PHE A 11 0.496 4.464 1.610 1.00 0.00 C ATOM 162 CE1 PHE A 11 -0.333 1.793 1.728 1.00 0.00 C ATOM 163 CE2 PHE A 11 -0.775 4.104 1.147 1.00 0.00 C ATOM 164 CZ PHE A 11 -1.189 2.768 1.205 1.00 0.00 C ATOM 0 H PHE A 11 2.353 5.482 4.463 1.00 0.00 H new ATOM 0 HA PHE A 11 2.035 2.722 4.346 1.00 0.00 H new ATOM 0 HB2 PHE A 11 2.855 4.955 2.572 1.00 0.00 H new ATOM 0 HB3 PHE A 11 3.494 3.412 2.042 1.00 0.00 H new ATOM 0 HD1 PHE A 11 1.597 1.400 2.599 1.00 0.00 H new ATOM 0 HD2 PHE A 11 0.816 5.495 1.564 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -0.652 0.762 1.773 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -1.436 4.857 0.745 1.00 0.00 H new ATOM 0 HZ PHE A 11 -2.169 2.490 0.846 1.00 0.00 H new ATOM 174 N THR A 12 5.217 3.408 4.601 1.00 0.00 N ATOM 175 CA THR A 12 6.489 2.723 4.906 1.00 0.00 C ATOM 176 C THR A 12 6.212 1.705 5.993 1.00 0.00 C ATOM 177 O THR A 12 6.484 0.526 5.861 1.00 0.00 O ATOM 178 CB THR A 12 7.388 3.828 5.439 1.00 0.00 C ATOM 179 OG1 THR A 12 6.880 4.295 6.681 1.00 0.00 O ATOM 180 CG2 THR A 12 7.423 4.975 4.439 1.00 0.00 C ATOM 0 H THR A 12 5.256 4.427 4.597 1.00 0.00 H new ATOM 0 HA THR A 12 6.937 2.211 4.055 1.00 0.00 H new ATOM 0 HB THR A 12 8.396 3.440 5.584 1.00 0.00 H new ATOM 0 HG1 THR A 12 7.592 4.755 7.173 1.00 0.00 H new ATOM 0 HG21 THR A 12 8.067 5.769 4.818 1.00 0.00 H new ATOM 0 HG22 THR A 12 7.813 4.616 3.487 1.00 0.00 H new ATOM 0 HG23 THR A 12 6.415 5.363 4.295 1.00 0.00 H new ATOM 188 N GLN A 13 5.644 2.166 7.067 1.00 0.00 N ATOM 189 CA GLN A 13 5.307 1.241 8.183 1.00 0.00 C ATOM 190 C GLN A 13 4.267 0.228 7.705 1.00 0.00 C ATOM 191 O GLN A 13 4.171 -0.877 8.207 1.00 0.00 O ATOM 192 CB GLN A 13 4.732 2.130 9.287 1.00 0.00 C ATOM 193 CG GLN A 13 5.518 1.911 10.580 1.00 0.00 C ATOM 194 CD GLN A 13 4.915 2.767 11.696 1.00 0.00 C ATOM 195 OE1 GLN A 13 4.360 2.248 12.643 1.00 0.00 O ATOM 196 NE2 GLN A 13 5.000 4.068 11.621 1.00 0.00 N ATOM 0 H GLN A 13 5.398 3.143 7.222 1.00 0.00 H new ATOM 0 HA GLN A 13 6.171 0.679 8.538 1.00 0.00 H new ATOM 0 HB2 GLN A 13 4.785 3.177 8.990 1.00 0.00 H new ATOM 0 HB3 GLN A 13 3.679 1.897 9.445 1.00 0.00 H new ATOM 0 HG2 GLN A 13 5.491 0.858 10.860 1.00 0.00 H new ATOM 0 HG3 GLN A 13 6.565 2.175 10.431 1.00 0.00 H new ATOM 0 HE21 GLN A 13 5.466 4.504 10.825 1.00 0.00 H new ATOM 0 HE22 GLN A 13 4.600 4.649 12.358 1.00 0.00 H new ATOM 205 N ASN A 14 3.498 0.599 6.725 1.00 0.00 N ATOM 206 CA ASN A 14 2.464 -0.332 6.190 1.00 0.00 C ATOM 207 C ASN A 14 3.132 -1.447 5.399 1.00 0.00 C ATOM 208 O ASN A 14 2.905 -2.616 5.637 1.00 0.00 O ATOM 209 CB ASN A 14 1.576 0.517 5.280 1.00 0.00 C ATOM 210 CG ASN A 14 0.920 1.631 6.101 1.00 0.00 C ATOM 211 OD1 ASN A 14 1.537 2.637 6.385 1.00 0.00 O ATOM 212 ND2 ASN A 14 -0.316 1.490 6.497 1.00 0.00 N ATOM 0 H ASN A 14 3.539 1.510 6.268 1.00 0.00 H new ATOM 0 HA ASN A 14 1.884 -0.802 6.985 1.00 0.00 H new ATOM 0 HB2 ASN A 14 2.170 0.947 4.473 1.00 0.00 H new ATOM 0 HB3 ASN A 14 0.811 -0.106 4.816 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -0.763 2.225 7.045 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -0.835 0.645 6.258 1.00 0.00 H new ATOM 219 N LEU A 15 3.963 -1.090 4.467 1.00 0.00 N ATOM 220 CA LEU A 15 4.665 -2.126 3.662 1.00 0.00 C ATOM 221 C LEU A 15 5.144 -3.244 4.587 1.00 0.00 C ATOM 222 O LEU A 15 4.776 -4.388 4.434 1.00 0.00 O ATOM 223 CB LEU A 15 5.853 -1.401 3.017 1.00 0.00 C ATOM 224 CG LEU A 15 6.917 -2.411 2.552 1.00 0.00 C ATOM 225 CD1 LEU A 15 7.849 -2.750 3.715 1.00 0.00 C ATOM 226 CD2 LEU A 15 6.249 -3.695 2.045 1.00 0.00 C ATOM 0 H LEU A 15 4.188 -0.125 4.226 1.00 0.00 H new ATOM 0 HA LEU A 15 4.024 -2.581 2.907 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.508 -0.811 2.168 1.00 0.00 H new ATOM 0 HB3 LEU A 15 6.292 -0.705 3.731 1.00 0.00 H new ATOM 0 HG LEU A 15 7.490 -1.964 1.740 1.00 0.00 H new ATOM 0 HD11 LEU A 15 8.601 -3.465 3.382 1.00 0.00 H new ATOM 0 HD12 LEU A 15 8.341 -1.842 4.063 1.00 0.00 H new ATOM 0 HD13 LEU A 15 7.270 -3.185 4.530 1.00 0.00 H new ATOM 0 HD21 LEU A 15 7.015 -4.399 1.720 1.00 0.00 H new ATOM 0 HD22 LEU A 15 5.663 -4.142 2.848 1.00 0.00 H new ATOM 0 HD23 LEU A 15 5.594 -3.458 1.206 1.00 0.00 H new ATOM 238 N GLY A 16 5.948 -2.922 5.559 1.00 0.00 N ATOM 239 CA GLY A 16 6.427 -3.978 6.494 1.00 0.00 C ATOM 240 C GLY A 16 5.239 -4.846 6.913 1.00 0.00 C ATOM 241 O GLY A 16 5.314 -6.060 6.919 1.00 0.00 O ATOM 0 H GLY A 16 6.293 -1.981 5.747 1.00 0.00 H new ATOM 0 HA2 GLY A 16 7.190 -4.590 6.012 1.00 0.00 H new ATOM 0 HA3 GLY A 16 6.889 -3.524 7.370 1.00 0.00 H new ATOM 245 N LYS A 17 4.142 -4.230 7.264 1.00 0.00 N ATOM 246 CA LYS A 17 2.944 -5.012 7.688 1.00 0.00 C ATOM 247 C LYS A 17 2.131 -5.476 6.478 1.00 0.00 C ATOM 248 O LYS A 17 2.212 -6.613 6.055 1.00 0.00 O ATOM 249 CB LYS A 17 2.125 -4.038 8.534 1.00 0.00 C ATOM 250 CG LYS A 17 2.790 -3.868 9.903 1.00 0.00 C ATOM 251 CD LYS A 17 2.654 -5.167 10.699 1.00 0.00 C ATOM 252 CE LYS A 17 1.553 -5.009 11.750 1.00 0.00 C ATOM 253 NZ LYS A 17 0.478 -5.949 11.328 1.00 0.00 N ATOM 0 H LYS A 17 4.023 -3.217 7.275 1.00 0.00 H new ATOM 0 HA LYS A 17 3.222 -5.913 8.235 1.00 0.00 H new ATOM 0 HB2 LYS A 17 2.053 -3.074 8.031 1.00 0.00 H new ATOM 0 HB3 LYS A 17 1.108 -4.411 8.655 1.00 0.00 H new ATOM 0 HG2 LYS A 17 3.842 -3.613 9.779 1.00 0.00 H new ATOM 0 HG3 LYS A 17 2.325 -3.045 10.446 1.00 0.00 H new ATOM 0 HD2 LYS A 17 2.416 -5.993 10.029 1.00 0.00 H new ATOM 0 HD3 LYS A 17 3.600 -5.411 11.182 1.00 0.00 H new ATOM 0 HE2 LYS A 17 1.921 -5.253 12.747 1.00 0.00 H new ATOM 0 HE3 LYS A 17 1.187 -3.983 11.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -0.313 -5.897 12.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 0.142 -5.689 10.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 0.853 -6.919 11.309 1.00 0.00 H new ATOM 267 N PHE A 18 1.336 -4.600 5.943 1.00 0.00 N ATOM 268 CA PHE A 18 0.476 -4.950 4.769 1.00 0.00 C ATOM 269 C PHE A 18 1.184 -5.919 3.822 1.00 0.00 C ATOM 270 O PHE A 18 0.558 -6.720 3.158 1.00 0.00 O ATOM 271 CB PHE A 18 0.199 -3.619 4.071 1.00 0.00 C ATOM 272 CG PHE A 18 -1.156 -3.103 4.495 1.00 0.00 C ATOM 273 CD1 PHE A 18 -2.316 -3.796 4.130 1.00 0.00 C ATOM 274 CD2 PHE A 18 -1.251 -1.931 5.255 1.00 0.00 C ATOM 275 CE1 PHE A 18 -3.571 -3.318 4.525 1.00 0.00 C ATOM 276 CE2 PHE A 18 -2.506 -1.452 5.649 1.00 0.00 C ATOM 277 CZ PHE A 18 -3.666 -2.146 5.284 1.00 0.00 C ATOM 0 H PHE A 18 1.239 -3.639 6.270 1.00 0.00 H new ATOM 0 HA PHE A 18 -0.439 -5.453 5.081 1.00 0.00 H new ATOM 0 HB2 PHE A 18 0.972 -2.894 4.326 1.00 0.00 H new ATOM 0 HB3 PHE A 18 0.228 -3.750 2.989 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -2.243 -4.700 3.543 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -0.356 -1.396 5.537 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -4.466 -3.854 4.244 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -2.579 -0.547 6.234 1.00 0.00 H new ATOM 0 HZ PHE A 18 -4.634 -1.777 5.588 1.00 0.00 H new ATOM 287 N ALA A 19 2.476 -5.859 3.761 1.00 0.00 N ATOM 288 CA ALA A 19 3.216 -6.786 2.861 1.00 0.00 C ATOM 289 C ALA A 19 3.434 -8.123 3.574 1.00 0.00 C ATOM 290 O ALA A 19 2.800 -9.105 3.257 1.00 0.00 O ATOM 291 CB ALA A 19 4.545 -6.092 2.562 1.00 0.00 C ATOM 0 H ALA A 19 3.057 -5.211 4.293 1.00 0.00 H new ATOM 0 HA ALA A 19 2.674 -7.000 1.940 1.00 0.00 H new ATOM 0 HB1 ALA A 19 5.143 -6.720 1.902 1.00 0.00 H new ATOM 0 HB2 ALA A 19 4.354 -5.135 2.077 1.00 0.00 H new ATOM 0 HB3 ALA A 19 5.086 -5.926 3.493 1.00 0.00 H new ATOM 297 N VAL A 20 4.309 -8.172 4.543 1.00 0.00 N ATOM 298 CA VAL A 20 4.532 -9.457 5.268 1.00 0.00 C ATOM 299 C VAL A 20 3.188 -10.122 5.571 1.00 0.00 C ATOM 300 O VAL A 20 3.093 -11.326 5.695 1.00 0.00 O ATOM 301 CB VAL A 20 5.246 -9.068 6.563 1.00 0.00 C ATOM 302 CG1 VAL A 20 5.165 -10.226 7.561 1.00 0.00 C ATOM 303 CG2 VAL A 20 6.715 -8.760 6.264 1.00 0.00 C ATOM 0 H VAL A 20 4.875 -7.385 4.862 1.00 0.00 H new ATOM 0 HA VAL A 20 5.117 -10.168 4.685 1.00 0.00 H new ATOM 0 HB VAL A 20 4.767 -8.186 6.988 1.00 0.00 H new ATOM 0 HG11 VAL A 20 5.674 -9.948 8.484 1.00 0.00 H new ATOM 0 HG12 VAL A 20 4.120 -10.448 7.776 1.00 0.00 H new ATOM 0 HG13 VAL A 20 5.643 -11.108 7.135 1.00 0.00 H new ATOM 0 HG21 VAL A 20 7.224 -8.483 7.187 1.00 0.00 H new ATOM 0 HG22 VAL A 20 7.192 -9.642 5.838 1.00 0.00 H new ATOM 0 HG23 VAL A 20 6.777 -7.935 5.554 1.00 0.00 H new ATOM 313 N ASP A 21 2.144 -9.347 5.680 1.00 0.00 N ATOM 314 CA ASP A 21 0.805 -9.940 5.961 1.00 0.00 C ATOM 315 C ASP A 21 0.139 -10.346 4.652 1.00 0.00 C ATOM 316 O ASP A 21 -0.121 -11.507 4.421 1.00 0.00 O ATOM 317 CB ASP A 21 0.011 -8.837 6.661 1.00 0.00 C ATOM 318 CG ASP A 21 -0.883 -9.455 7.738 1.00 0.00 C ATOM 319 OD1 ASP A 21 -1.963 -9.908 7.394 1.00 0.00 O ATOM 320 OD2 ASP A 21 -0.473 -9.467 8.886 1.00 0.00 O ATOM 0 H ASP A 21 2.159 -8.331 5.587 1.00 0.00 H new ATOM 0 HA ASP A 21 0.866 -10.835 6.580 1.00 0.00 H new ATOM 0 HB2 ASP A 21 0.692 -8.113 7.110 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -0.597 -8.296 5.936 1.00 0.00 H new ATOM 325 N GLU A 22 -0.134 -9.414 3.782 1.00 0.00 N ATOM 326 CA GLU A 22 -0.767 -9.808 2.498 1.00 0.00 C ATOM 327 C GLU A 22 0.179 -10.735 1.742 1.00 0.00 C ATOM 328 O GLU A 22 -0.228 -11.744 1.212 1.00 0.00 O ATOM 329 CB GLU A 22 -1.035 -8.506 1.734 1.00 0.00 C ATOM 330 CG GLU A 22 -2.013 -7.642 2.534 1.00 0.00 C ATOM 331 CD GLU A 22 -3.414 -8.253 2.457 1.00 0.00 C ATOM 332 OE1 GLU A 22 -3.517 -9.402 2.059 1.00 0.00 O ATOM 333 OE2 GLU A 22 -4.359 -7.561 2.797 1.00 0.00 O ATOM 0 H GLU A 22 0.050 -8.418 3.902 1.00 0.00 H new ATOM 0 HA GLU A 22 -1.702 -10.351 2.637 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -0.102 -7.966 1.574 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.448 -8.727 0.750 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -1.690 -7.576 3.573 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.025 -6.626 2.138 1.00 0.00 H new ATOM 340 N GLU A 23 1.439 -10.423 1.711 1.00 0.00 N ATOM 341 CA GLU A 23 2.394 -11.303 1.020 1.00 0.00 C ATOM 342 C GLU A 23 2.338 -12.686 1.655 1.00 0.00 C ATOM 343 O GLU A 23 2.160 -13.683 0.990 1.00 0.00 O ATOM 344 CB GLU A 23 3.765 -10.663 1.238 1.00 0.00 C ATOM 345 CG GLU A 23 3.807 -9.290 0.563 1.00 0.00 C ATOM 346 CD GLU A 23 5.156 -8.629 0.845 1.00 0.00 C ATOM 347 OE1 GLU A 23 5.469 -8.442 2.009 1.00 0.00 O ATOM 348 OE2 GLU A 23 5.851 -8.320 -0.109 1.00 0.00 O ATOM 0 H GLU A 23 1.845 -9.591 2.139 1.00 0.00 H new ATOM 0 HA GLU A 23 2.176 -11.415 -0.042 1.00 0.00 H new ATOM 0 HB2 GLU A 23 3.964 -10.561 2.305 1.00 0.00 H new ATOM 0 HB3 GLU A 23 4.546 -11.304 0.829 1.00 0.00 H new ATOM 0 HG2 GLU A 23 3.659 -9.396 -0.512 1.00 0.00 H new ATOM 0 HG3 GLU A 23 2.997 -8.664 0.937 1.00 0.00 H new ATOM 355 N ASN A 24 2.467 -12.752 2.947 1.00 0.00 N ATOM 356 CA ASN A 24 2.387 -14.079 3.614 1.00 0.00 C ATOM 357 C ASN A 24 0.980 -14.634 3.414 1.00 0.00 C ATOM 358 O ASN A 24 0.798 -15.768 3.018 1.00 0.00 O ATOM 359 CB ASN A 24 2.671 -13.811 5.093 1.00 0.00 C ATOM 360 CG ASN A 24 2.750 -15.139 5.847 1.00 0.00 C ATOM 361 OD1 ASN A 24 1.867 -15.966 5.741 1.00 0.00 O ATOM 362 ND2 ASN A 24 3.781 -15.379 6.611 1.00 0.00 N ATOM 0 H ASN A 24 2.623 -11.956 3.565 1.00 0.00 H new ATOM 0 HA ASN A 24 3.093 -14.807 3.214 1.00 0.00 H new ATOM 0 HB2 ASN A 24 3.607 -13.263 5.201 1.00 0.00 H new ATOM 0 HB3 ASN A 24 1.885 -13.186 5.518 1.00 0.00 H new ATOM 0 HD21 ASN A 24 3.845 -16.261 7.119 1.00 0.00 H new ATOM 0 HD22 ASN A 24 4.523 -14.684 6.700 1.00 0.00 H new ATOM 369 N LYS A 25 -0.017 -13.832 3.665 1.00 0.00 N ATOM 370 CA LYS A 25 -1.415 -14.306 3.466 1.00 0.00 C ATOM 371 C LYS A 25 -1.611 -14.761 2.020 1.00 0.00 C ATOM 372 O LYS A 25 -2.231 -15.770 1.750 1.00 0.00 O ATOM 373 CB LYS A 25 -2.297 -13.097 3.777 1.00 0.00 C ATOM 374 CG LYS A 25 -3.767 -13.473 3.584 1.00 0.00 C ATOM 375 CD LYS A 25 -4.621 -12.753 4.630 1.00 0.00 C ATOM 376 CE LYS A 25 -5.871 -13.583 4.928 1.00 0.00 C ATOM 377 NZ LYS A 25 -5.362 -14.838 5.548 1.00 0.00 N ATOM 0 H LYS A 25 0.075 -12.872 3.998 1.00 0.00 H new ATOM 0 HA LYS A 25 -1.659 -15.156 4.104 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -2.127 -12.764 4.801 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -2.035 -12.265 3.124 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -4.094 -13.199 2.581 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -3.892 -14.552 3.677 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -4.046 -12.602 5.543 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -4.905 -11.766 4.266 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -6.544 -13.054 5.603 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -6.432 -13.792 4.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -5.997 -15.127 6.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -5.325 -15.590 4.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -4.408 -14.675 5.928 1.00 0.00 H new ATOM 391 N ILE A 26 -1.085 -14.020 1.090 1.00 0.00 N ATOM 392 CA ILE A 26 -1.234 -14.402 -0.349 1.00 0.00 C ATOM 393 C ILE A 26 -0.412 -15.659 -0.650 1.00 0.00 C ATOM 394 O ILE A 26 -0.605 -16.316 -1.652 1.00 0.00 O ATOM 395 CB ILE A 26 -0.738 -13.193 -1.168 1.00 0.00 C ATOM 396 CG1 ILE A 26 -1.468 -13.158 -2.511 1.00 0.00 C ATOM 397 CG2 ILE A 26 0.771 -13.286 -1.430 1.00 0.00 C ATOM 398 CD1 ILE A 26 -2.980 -13.161 -2.276 1.00 0.00 C ATOM 0 H ILE A 26 -0.557 -13.164 1.258 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.268 -14.638 -0.602 1.00 0.00 H new ATOM 0 HB ILE A 26 -0.941 -12.287 -0.597 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -1.179 -12.268 -3.070 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -1.182 -14.020 -3.114 1.00 0.00 H new ATOM 0 HG21 ILE A 26 1.094 -12.421 -2.009 1.00 0.00 H new ATOM 0 HG22 ILE A 26 1.305 -13.306 -0.480 1.00 0.00 H new ATOM 0 HG23 ILE A 26 0.988 -14.197 -1.987 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -3.497 -13.136 -3.235 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -3.262 -14.064 -1.735 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -3.259 -12.285 -1.690 1.00 0.00 H new ATOM 410 N GLY A 27 0.503 -15.992 0.215 1.00 0.00 N ATOM 411 CA GLY A 27 1.340 -17.204 -0.016 1.00 0.00 C ATOM 412 C GLY A 27 2.814 -16.802 -0.093 1.00 0.00 C ATOM 413 O GLY A 27 3.509 -17.133 -1.033 1.00 0.00 O ATOM 0 H GLY A 27 0.709 -15.479 1.072 1.00 0.00 H new ATOM 0 HA2 GLY A 27 1.190 -17.921 0.791 1.00 0.00 H new ATOM 0 HA3 GLY A 27 1.038 -17.696 -0.940 1.00 0.00 H new ATOM 417 N GLN A 28 3.296 -16.092 0.889 1.00 0.00 N ATOM 418 CA GLN A 28 4.725 -15.669 0.876 1.00 0.00 C ATOM 419 C GLN A 28 5.185 -15.345 2.300 1.00 0.00 C ATOM 420 O GLN A 28 5.214 -14.202 2.709 1.00 0.00 O ATOM 421 CB GLN A 28 4.761 -14.417 0.000 1.00 0.00 C ATOM 422 CG GLN A 28 5.709 -14.646 -1.179 1.00 0.00 C ATOM 423 CD GLN A 28 4.938 -15.277 -2.339 1.00 0.00 C ATOM 424 OE1 GLN A 28 5.330 -16.304 -2.857 1.00 0.00 O ATOM 425 NE2 GLN A 28 3.850 -14.703 -2.772 1.00 0.00 N ATOM 0 H GLN A 28 2.761 -15.786 1.702 1.00 0.00 H new ATOM 0 HA GLN A 28 5.386 -16.447 0.495 1.00 0.00 H new ATOM 0 HB2 GLN A 28 3.760 -14.186 -0.364 1.00 0.00 H new ATOM 0 HB3 GLN A 28 5.093 -13.560 0.586 1.00 0.00 H new ATOM 0 HG2 GLN A 28 6.150 -13.700 -1.494 1.00 0.00 H new ATOM 0 HG3 GLN A 28 6.530 -15.296 -0.878 1.00 0.00 H new ATOM 0 HE21 GLN A 28 3.521 -13.841 -2.338 1.00 0.00 H new ATOM 0 HE22 GLN A 28 3.328 -15.116 -3.545 1.00 0.00 H new ATOM 486 N LEU A 32 10.361 -11.436 6.049 1.00 0.00 N ATOM 487 CA LEU A 32 9.846 -10.046 6.188 1.00 0.00 C ATOM 488 C LEU A 32 9.944 -9.321 4.845 1.00 0.00 C ATOM 489 O LEU A 32 10.628 -9.759 3.941 1.00 0.00 O ATOM 490 CB LEU A 32 10.757 -9.388 7.222 1.00 0.00 C ATOM 491 CG LEU A 32 12.212 -9.522 6.776 1.00 0.00 C ATOM 492 CD1 LEU A 32 12.953 -8.213 7.053 1.00 0.00 C ATOM 493 CD2 LEU A 32 12.878 -10.659 7.553 1.00 0.00 C ATOM 0 HA LEU A 32 8.800 -10.016 6.494 1.00 0.00 H new ATOM 0 HB2 LEU A 32 10.496 -8.336 7.336 1.00 0.00 H new ATOM 0 HB3 LEU A 32 10.619 -9.858 8.196 1.00 0.00 H new ATOM 0 HG LEU A 32 12.247 -9.740 5.709 1.00 0.00 H new ATOM 0 HD11 LEU A 32 13.991 -8.308 6.735 1.00 0.00 H new ATOM 0 HD12 LEU A 32 12.477 -7.402 6.501 1.00 0.00 H new ATOM 0 HD13 LEU A 32 12.919 -7.995 8.120 1.00 0.00 H new ATOM 0 HD21 LEU A 32 13.916 -10.757 7.236 1.00 0.00 H new ATOM 0 HD22 LEU A 32 12.843 -10.440 8.620 1.00 0.00 H new ATOM 0 HD23 LEU A 32 12.350 -11.592 7.357 1.00 0.00 H new ATOM 505 N THR A 33 9.267 -8.218 4.708 1.00 0.00 N ATOM 506 CA THR A 33 9.319 -7.468 3.426 1.00 0.00 C ATOM 507 C THR A 33 9.625 -5.995 3.701 1.00 0.00 C ATOM 508 O THR A 33 8.924 -5.108 3.257 1.00 0.00 O ATOM 509 CB THR A 33 7.926 -7.633 2.816 1.00 0.00 C ATOM 510 OG1 THR A 33 7.047 -8.206 3.776 1.00 0.00 O ATOM 511 CG2 THR A 33 8.007 -8.544 1.590 1.00 0.00 C ATOM 0 H THR A 33 8.679 -7.803 5.430 1.00 0.00 H new ATOM 0 HA THR A 33 10.096 -7.834 2.755 1.00 0.00 H new ATOM 0 HB THR A 33 7.547 -6.656 2.517 1.00 0.00 H new ATOM 0 HG1 THR A 33 6.356 -8.728 3.317 1.00 0.00 H new ATOM 0 HG21 THR A 33 7.014 -8.660 1.157 1.00 0.00 H new ATOM 0 HG22 THR A 33 8.675 -8.101 0.851 1.00 0.00 H new ATOM 0 HG23 THR A 33 8.390 -9.520 1.887 1.00 0.00 H new ATOM 519 N PHE A 34 10.671 -5.732 4.436 1.00 0.00 N ATOM 520 CA PHE A 34 11.033 -4.320 4.750 1.00 0.00 C ATOM 521 C PHE A 34 12.475 -4.250 5.263 1.00 0.00 C ATOM 522 O PHE A 34 12.787 -4.734 6.332 1.00 0.00 O ATOM 523 CB PHE A 34 10.055 -3.894 5.844 1.00 0.00 C ATOM 524 CG PHE A 34 10.499 -2.573 6.427 1.00 0.00 C ATOM 525 CD1 PHE A 34 10.521 -1.427 5.624 1.00 0.00 C ATOM 526 CD2 PHE A 34 10.888 -2.496 7.769 1.00 0.00 C ATOM 527 CE1 PHE A 34 10.932 -0.203 6.163 1.00 0.00 C ATOM 528 CE2 PHE A 34 11.299 -1.271 8.309 1.00 0.00 C ATOM 529 CZ PHE A 34 11.322 -0.124 7.506 1.00 0.00 C ATOM 0 H PHE A 34 11.292 -6.436 4.834 1.00 0.00 H new ATOM 0 HA PHE A 34 10.972 -3.672 3.876 1.00 0.00 H new ATOM 0 HB2 PHE A 34 9.050 -3.803 5.433 1.00 0.00 H new ATOM 0 HB3 PHE A 34 10.013 -4.653 6.625 1.00 0.00 H new ATOM 0 HD1 PHE A 34 10.221 -1.487 4.588 1.00 0.00 H new ATOM 0 HD2 PHE A 34 10.871 -3.381 8.388 1.00 0.00 H new ATOM 0 HE1 PHE A 34 10.949 0.681 5.543 1.00 0.00 H new ATOM 0 HE2 PHE A 34 11.598 -1.211 9.345 1.00 0.00 H new ATOM 0 HZ PHE A 34 11.640 0.821 7.922 1.00 0.00 H new ATOM 539 N ASN A 35 13.354 -3.652 4.507 1.00 0.00 N ATOM 540 CA ASN A 35 14.775 -3.554 4.952 1.00 0.00 C ATOM 541 C ASN A 35 15.431 -2.289 4.384 1.00 0.00 C ATOM 542 O ASN A 35 15.974 -1.483 5.113 1.00 0.00 O ATOM 543 CB ASN A 35 15.451 -4.804 4.390 1.00 0.00 C ATOM 544 CG ASN A 35 16.970 -4.659 4.504 1.00 0.00 C ATOM 545 OD1 ASN A 35 17.680 -4.806 3.529 1.00 0.00 O ATOM 546 ND2 ASN A 35 17.502 -4.374 5.661 1.00 0.00 N ATOM 0 H ASN A 35 13.152 -3.227 3.602 1.00 0.00 H new ATOM 0 HA ASN A 35 14.861 -3.492 6.037 1.00 0.00 H new ATOM 0 HB2 ASN A 35 15.118 -5.687 4.935 1.00 0.00 H new ATOM 0 HB3 ASN A 35 15.166 -4.947 3.348 1.00 0.00 H new ATOM 0 HD21 ASN A 35 18.514 -4.275 5.747 1.00 0.00 H new ATOM 0 HD22 ASN A 35 16.906 -4.251 6.480 1.00 0.00 H new ATOM 553 N LYS A 36 15.398 -2.114 3.089 1.00 0.00 N ATOM 554 CA LYS A 36 16.036 -0.906 2.487 1.00 0.00 C ATOM 555 C LYS A 36 15.252 0.368 2.843 1.00 0.00 C ATOM 556 O LYS A 36 15.354 0.869 3.944 1.00 0.00 O ATOM 557 CB LYS A 36 16.020 -1.159 0.981 1.00 0.00 C ATOM 558 CG LYS A 36 17.252 -1.979 0.590 1.00 0.00 C ATOM 559 CD LYS A 36 17.957 -1.313 -0.594 1.00 0.00 C ATOM 560 CE LYS A 36 19.178 -2.145 -0.995 1.00 0.00 C ATOM 561 NZ LYS A 36 19.745 -1.446 -2.183 1.00 0.00 N ATOM 0 H LYS A 36 14.959 -2.752 2.425 1.00 0.00 H new ATOM 0 HA LYS A 36 17.047 -0.750 2.862 1.00 0.00 H new ATOM 0 HB2 LYS A 36 15.111 -1.691 0.700 1.00 0.00 H new ATOM 0 HB3 LYS A 36 16.014 -0.212 0.442 1.00 0.00 H new ATOM 0 HG2 LYS A 36 17.934 -2.055 1.437 1.00 0.00 H new ATOM 0 HG3 LYS A 36 16.957 -2.995 0.326 1.00 0.00 H new ATOM 0 HD2 LYS A 36 17.271 -1.225 -1.437 1.00 0.00 H new ATOM 0 HD3 LYS A 36 18.264 -0.302 -0.326 1.00 0.00 H new ATOM 0 HE2 LYS A 36 19.904 -2.197 -0.184 1.00 0.00 H new ATOM 0 HE3 LYS A 36 18.896 -3.170 -1.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 20.587 -1.957 -2.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 19.034 -1.417 -2.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 20.011 -0.475 -1.921 1.00 0.00 H new ATOM 575 N VAL A 37 14.488 0.913 1.926 1.00 0.00 N ATOM 576 CA VAL A 37 13.740 2.168 2.250 1.00 0.00 C ATOM 577 C VAL A 37 12.552 2.379 1.297 1.00 0.00 C ATOM 578 O VAL A 37 12.379 1.670 0.325 1.00 0.00 O ATOM 579 CB VAL A 37 14.779 3.276 2.065 1.00 0.00 C ATOM 580 CG1 VAL A 37 14.084 4.627 1.872 1.00 0.00 C ATOM 581 CG2 VAL A 37 15.675 3.338 3.302 1.00 0.00 C ATOM 0 H VAL A 37 14.351 0.550 0.983 1.00 0.00 H new ATOM 0 HA VAL A 37 13.314 2.144 3.253 1.00 0.00 H new ATOM 0 HB VAL A 37 15.379 3.058 1.182 1.00 0.00 H new ATOM 0 HG11 VAL A 37 14.834 5.407 1.742 1.00 0.00 H new ATOM 0 HG12 VAL A 37 13.447 4.585 0.989 1.00 0.00 H new ATOM 0 HG13 VAL A 37 13.476 4.852 2.748 1.00 0.00 H new ATOM 0 HG21 VAL A 37 16.417 4.126 3.175 1.00 0.00 H new ATOM 0 HG22 VAL A 37 15.067 3.551 4.181 1.00 0.00 H new ATOM 0 HG23 VAL A 37 16.181 2.381 3.433 1.00 0.00 H new ATOM 591 N ILE A 38 11.738 3.366 1.581 1.00 0.00 N ATOM 592 CA ILE A 38 10.555 3.664 0.715 1.00 0.00 C ATOM 593 C ILE A 38 10.549 5.146 0.336 1.00 0.00 C ATOM 594 O ILE A 38 10.648 6.016 1.179 1.00 0.00 O ATOM 595 CB ILE A 38 9.312 3.294 1.556 1.00 0.00 C ATOM 596 CG1 ILE A 38 8.103 4.154 1.133 1.00 0.00 C ATOM 597 CG2 ILE A 38 9.590 3.496 3.050 1.00 0.00 C ATOM 598 CD1 ILE A 38 8.188 5.561 1.741 1.00 0.00 C ATOM 0 H ILE A 38 11.844 3.985 2.385 1.00 0.00 H new ATOM 0 HA ILE A 38 10.573 3.099 -0.217 1.00 0.00 H new ATOM 0 HB ILE A 38 9.084 2.243 1.379 1.00 0.00 H new ATOM 0 HG12 ILE A 38 8.066 4.226 0.046 1.00 0.00 H new ATOM 0 HG13 ILE A 38 7.179 3.671 1.452 1.00 0.00 H new ATOM 0 HG21 ILE A 38 8.703 3.230 3.624 1.00 0.00 H new ATOM 0 HG22 ILE A 38 10.423 2.862 3.354 1.00 0.00 H new ATOM 0 HG23 ILE A 38 9.843 4.540 3.235 1.00 0.00 H new ATOM 0 HD11 ILE A 38 7.324 6.146 1.427 1.00 0.00 H new ATOM 0 HD12 ILE A 38 8.200 5.487 2.828 1.00 0.00 H new ATOM 0 HD13 ILE A 38 9.100 6.050 1.400 1.00 0.00 H new ATOM 610 N ARG A 39 10.422 5.437 -0.927 1.00 0.00 N ATOM 611 CA ARG A 39 10.392 6.857 -1.368 1.00 0.00 C ATOM 612 C ARG A 39 9.220 7.084 -2.332 1.00 0.00 C ATOM 613 O ARG A 39 8.367 7.908 -2.069 1.00 0.00 O ATOM 614 CB ARG A 39 11.735 7.106 -2.055 1.00 0.00 C ATOM 615 CG ARG A 39 12.589 8.033 -1.188 1.00 0.00 C ATOM 616 CD ARG A 39 12.220 9.489 -1.481 1.00 0.00 C ATOM 617 NE ARG A 39 11.442 9.936 -0.293 1.00 0.00 N ATOM 618 CZ ARG A 39 11.732 11.069 0.289 1.00 0.00 C ATOM 619 NH1 ARG A 39 11.834 12.158 -0.422 1.00 0.00 N ATOM 620 NH2 ARG A 39 11.917 11.111 1.579 1.00 0.00 N ATOM 0 H ARG A 39 10.337 4.749 -1.676 1.00 0.00 H new ATOM 0 HA ARG A 39 10.248 7.544 -0.534 1.00 0.00 H new ATOM 0 HB2 ARG A 39 12.254 6.161 -2.216 1.00 0.00 H new ATOM 0 HB3 ARG A 39 11.576 7.553 -3.036 1.00 0.00 H new ATOM 0 HG2 ARG A 39 12.429 7.811 -0.133 1.00 0.00 H new ATOM 0 HG3 ARG A 39 13.647 7.867 -1.392 1.00 0.00 H new ATOM 0 HD2 ARG A 39 13.111 10.101 -1.623 1.00 0.00 H new ATOM 0 HD3 ARG A 39 11.629 9.570 -2.393 1.00 0.00 H new ATOM 0 HE ARG A 39 10.683 9.358 0.066 1.00 0.00 H new ATOM 0 HH11 ARG A 39 11.687 12.124 -1.431 1.00 0.00 H new ATOM 0 HH12 ARG A 39 12.060 13.043 0.031 1.00 0.00 H new ATOM 0 HH21 ARG A 39 11.835 10.259 2.134 1.00 0.00 H new ATOM 0 HH22 ARG A 39 12.143 11.996 2.033 1.00 0.00 H new ATOM 634 N PRO A 40 9.198 6.348 -3.422 1.00 0.00 N ATOM 635 CA PRO A 40 8.103 6.498 -4.397 1.00 0.00 C ATOM 636 C PRO A 40 6.919 5.597 -4.029 1.00 0.00 C ATOM 637 O PRO A 40 6.351 4.913 -4.862 1.00 0.00 O ATOM 638 CB PRO A 40 8.740 6.067 -5.711 1.00 0.00 C ATOM 639 CG PRO A 40 9.877 5.158 -5.337 1.00 0.00 C ATOM 640 CD PRO A 40 10.162 5.331 -3.860 1.00 0.00 C ATOM 0 HA PRO A 40 7.699 7.509 -4.437 1.00 0.00 H new ATOM 0 HB2 PRO A 40 8.019 5.550 -6.344 1.00 0.00 H new ATOM 0 HB3 PRO A 40 9.098 6.929 -6.273 1.00 0.00 H new ATOM 0 HG2 PRO A 40 9.621 4.121 -5.555 1.00 0.00 H new ATOM 0 HG3 PRO A 40 10.763 5.398 -5.925 1.00 0.00 H new ATOM 0 HD2 PRO A 40 10.028 4.396 -3.317 1.00 0.00 H new ATOM 0 HD3 PRO A 40 11.188 5.655 -3.688 1.00 0.00 H new ATOM 648 N CYS A 41 6.535 5.603 -2.785 1.00 0.00 N ATOM 649 CA CYS A 41 5.375 4.767 -2.359 1.00 0.00 C ATOM 650 C CYS A 41 4.073 5.554 -2.553 1.00 0.00 C ATOM 651 O CYS A 41 3.817 6.533 -1.875 1.00 0.00 O ATOM 652 CB CYS A 41 5.604 4.465 -0.878 1.00 0.00 C ATOM 653 SG CYS A 41 5.794 6.014 0.036 1.00 0.00 S ATOM 0 H CYS A 41 6.972 6.150 -2.043 1.00 0.00 H new ATOM 0 HA CYS A 41 5.293 3.850 -2.942 1.00 0.00 H new ATOM 0 HB2 CYS A 41 4.764 3.896 -0.479 1.00 0.00 H new ATOM 0 HB3 CYS A 41 6.494 3.848 -0.756 1.00 0.00 H new ATOM 0 HG CYS A 41 5.159 6.964 -0.584 1.00 0.00 H new ATOM 659 N MET A 42 3.255 5.138 -3.482 1.00 0.00 N ATOM 660 CA MET A 42 1.978 5.865 -3.730 1.00 0.00 C ATOM 661 C MET A 42 0.782 5.030 -3.269 1.00 0.00 C ATOM 662 O MET A 42 0.929 3.927 -2.782 1.00 0.00 O ATOM 663 CB MET A 42 1.929 6.064 -5.245 1.00 0.00 C ATOM 664 CG MET A 42 2.901 7.174 -5.647 1.00 0.00 C ATOM 665 SD MET A 42 2.905 7.352 -7.448 1.00 0.00 S ATOM 666 CE MET A 42 4.546 6.647 -7.742 1.00 0.00 C ATOM 0 H MET A 42 3.416 4.327 -4.079 1.00 0.00 H new ATOM 0 HA MET A 42 1.933 6.807 -3.184 1.00 0.00 H new ATOM 0 HB2 MET A 42 2.191 5.136 -5.753 1.00 0.00 H new ATOM 0 HB3 MET A 42 0.917 6.323 -5.556 1.00 0.00 H new ATOM 0 HG2 MET A 42 2.609 8.114 -5.179 1.00 0.00 H new ATOM 0 HG3 MET A 42 3.904 6.939 -5.292 1.00 0.00 H new ATOM 0 HE1 MET A 42 4.760 6.658 -8.811 1.00 0.00 H new ATOM 0 HE2 MET A 42 5.296 7.238 -7.216 1.00 0.00 H new ATOM 0 HE3 MET A 42 4.572 5.620 -7.377 1.00 0.00 H new ATOM 676 N LYS A 43 -0.404 5.552 -3.425 1.00 0.00 N ATOM 677 CA LYS A 43 -1.616 4.797 -3.004 1.00 0.00 C ATOM 678 C LYS A 43 -2.823 5.226 -3.846 1.00 0.00 C ATOM 679 O LYS A 43 -2.980 6.383 -4.182 1.00 0.00 O ATOM 680 CB LYS A 43 -1.818 5.160 -1.528 1.00 0.00 C ATOM 681 CG LYS A 43 -2.497 6.527 -1.408 1.00 0.00 C ATOM 682 CD LYS A 43 -3.997 6.332 -1.175 1.00 0.00 C ATOM 683 CE LYS A 43 -4.450 7.202 -0.001 1.00 0.00 C ATOM 684 NZ LYS A 43 -5.139 6.265 0.928 1.00 0.00 N ATOM 0 H LYS A 43 -0.585 6.472 -3.827 1.00 0.00 H new ATOM 0 HA LYS A 43 -1.506 3.721 -3.141 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -2.426 4.399 -1.039 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.856 5.177 -1.015 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -2.060 7.091 -0.584 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.331 7.108 -2.315 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -4.553 6.598 -2.074 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -4.210 5.283 -0.967 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -3.601 7.685 0.483 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -5.121 7.994 -0.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -5.479 6.788 1.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -5.946 5.825 0.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -4.474 5.526 1.232 1.00 0.00 H new ATOM 698 N LYS A 44 -3.677 4.303 -4.188 1.00 0.00 N ATOM 699 CA LYS A 44 -4.873 4.657 -5.004 1.00 0.00 C ATOM 700 C LYS A 44 -6.102 3.923 -4.466 1.00 0.00 C ATOM 701 O LYS A 44 -6.256 2.732 -4.649 1.00 0.00 O ATOM 702 CB LYS A 44 -4.542 4.191 -6.422 1.00 0.00 C ATOM 703 CG LYS A 44 -3.480 5.112 -7.027 1.00 0.00 C ATOM 704 CD LYS A 44 -2.100 4.469 -6.875 1.00 0.00 C ATOM 705 CE LYS A 44 -1.048 5.560 -6.661 1.00 0.00 C ATOM 706 NZ LYS A 44 0.157 5.079 -7.391 1.00 0.00 N ATOM 0 H LYS A 44 -3.599 3.317 -3.938 1.00 0.00 H new ATOM 0 HA LYS A 44 -5.098 5.723 -4.975 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -4.179 3.163 -6.403 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -5.441 4.201 -7.039 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.696 5.290 -8.080 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -3.498 6.082 -6.529 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -2.100 3.779 -6.031 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -1.859 3.886 -7.764 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -1.389 6.519 -7.050 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -0.837 5.703 -5.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 0.805 5.876 -7.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 0.639 4.352 -6.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -0.130 4.672 -8.304 1.00 0.00 H new ATOM 720 N THR A 45 -6.973 4.621 -3.795 1.00 0.00 N ATOM 721 CA THR A 45 -8.181 3.954 -3.236 1.00 0.00 C ATOM 722 C THR A 45 -9.459 4.640 -3.729 1.00 0.00 C ATOM 723 O THR A 45 -9.469 5.814 -4.041 1.00 0.00 O ATOM 724 CB THR A 45 -8.032 4.101 -1.715 1.00 0.00 C ATOM 725 OG1 THR A 45 -7.094 3.145 -1.245 1.00 0.00 O ATOM 726 CG2 THR A 45 -9.382 3.868 -1.032 1.00 0.00 C ATOM 0 H THR A 45 -6.902 5.621 -3.609 1.00 0.00 H new ATOM 0 HA THR A 45 -8.259 2.911 -3.544 1.00 0.00 H new ATOM 0 HB THR A 45 -7.685 5.108 -1.482 1.00 0.00 H new ATOM 0 HG1 THR A 45 -7.111 3.124 -0.265 1.00 0.00 H new ATOM 0 HG21 THR A 45 -9.267 3.974 0.047 1.00 0.00 H new ATOM 0 HG22 THR A 45 -10.104 4.600 -1.394 1.00 0.00 H new ATOM 0 HG23 THR A 45 -9.738 2.864 -1.262 1.00 0.00 H new ATOM 734 N ILE A 46 -10.542 3.914 -3.770 1.00 0.00 N ATOM 735 CA ILE A 46 -11.834 4.506 -4.207 1.00 0.00 C ATOM 736 C ILE A 46 -12.829 4.315 -3.075 1.00 0.00 C ATOM 737 O ILE A 46 -13.976 3.981 -3.272 1.00 0.00 O ATOM 738 CB ILE A 46 -12.246 3.705 -5.435 1.00 0.00 C ATOM 739 CG1 ILE A 46 -12.501 2.253 -5.025 1.00 0.00 C ATOM 740 CG2 ILE A 46 -11.121 3.756 -6.468 1.00 0.00 C ATOM 741 CD1 ILE A 46 -13.318 1.556 -6.110 1.00 0.00 C ATOM 0 H ILE A 46 -10.586 2.927 -3.517 1.00 0.00 H new ATOM 0 HA ILE A 46 -11.777 5.569 -4.443 1.00 0.00 H new ATOM 0 HB ILE A 46 -13.154 4.126 -5.866 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -11.554 1.734 -4.877 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -13.034 2.220 -4.075 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -11.410 3.184 -7.350 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -10.935 4.792 -6.752 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -10.214 3.329 -6.040 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -13.501 0.521 -5.820 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -14.270 2.071 -6.236 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -12.767 1.577 -7.050 1.00 0.00 H new ATOM 898 N GLY A 55 -13.397 1.015 -1.680 1.00 0.00 N ATOM 899 CA GLY A 55 -12.297 0.079 -2.041 1.00 0.00 C ATOM 900 C GLY A 55 -10.974 0.653 -1.557 1.00 0.00 C ATOM 901 O GLY A 55 -10.897 1.799 -1.179 1.00 0.00 O ATOM 0 HA2 GLY A 55 -12.471 -0.897 -1.589 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -12.270 -0.070 -3.120 1.00 0.00 H new ATOM 905 N TYR A 56 -9.934 -0.128 -1.560 1.00 0.00 N ATOM 906 CA TYR A 56 -8.623 0.394 -1.088 1.00 0.00 C ATOM 907 C TYR A 56 -7.467 -0.346 -1.766 1.00 0.00 C ATOM 908 O TYR A 56 -6.987 -1.349 -1.277 1.00 0.00 O ATOM 909 CB TYR A 56 -8.615 0.136 0.419 1.00 0.00 C ATOM 910 CG TYR A 56 -7.288 0.562 0.998 1.00 0.00 C ATOM 911 CD1 TYR A 56 -7.066 1.904 1.329 1.00 0.00 C ATOM 912 CD2 TYR A 56 -6.277 -0.385 1.204 1.00 0.00 C ATOM 913 CE1 TYR A 56 -5.835 2.299 1.867 1.00 0.00 C ATOM 914 CE2 TYR A 56 -5.046 0.010 1.742 1.00 0.00 C ATOM 915 CZ TYR A 56 -4.826 1.351 2.073 1.00 0.00 C ATOM 916 OH TYR A 56 -3.612 1.741 2.604 1.00 0.00 O ATOM 0 H TYR A 56 -9.933 -1.101 -1.867 1.00 0.00 H new ATOM 0 HA TYR A 56 -8.496 1.450 -1.326 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -9.425 0.687 0.897 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -8.787 -0.922 0.618 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -7.845 2.635 1.169 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -6.447 -1.420 0.948 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -5.664 3.334 2.123 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -4.267 -0.721 1.901 1.00 0.00 H new ATOM 0 HH TYR A 56 -2.898 1.555 1.959 1.00 0.00 H new ATOM 926 N GLU A 57 -7.005 0.153 -2.879 1.00 0.00 N ATOM 927 CA GLU A 57 -5.865 -0.506 -3.578 1.00 0.00 C ATOM 928 C GLU A 57 -4.647 0.415 -3.498 1.00 0.00 C ATOM 929 O GLU A 57 -4.782 1.599 -3.263 1.00 0.00 O ATOM 930 CB GLU A 57 -6.327 -0.682 -5.026 1.00 0.00 C ATOM 931 CG GLU A 57 -5.113 -0.882 -5.935 1.00 0.00 C ATOM 932 CD GLU A 57 -5.578 -1.367 -7.309 1.00 0.00 C ATOM 933 OE1 GLU A 57 -6.756 -1.650 -7.447 1.00 0.00 O ATOM 934 OE2 GLU A 57 -4.749 -1.447 -8.199 1.00 0.00 O ATOM 0 H GLU A 57 -7.368 0.990 -3.336 1.00 0.00 H new ATOM 0 HA GLU A 57 -5.586 -1.464 -3.140 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -6.996 -1.539 -5.103 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -6.893 0.193 -5.346 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -4.562 0.053 -6.035 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -4.430 -1.608 -5.493 1.00 0.00 H new ATOM 941 N TYR A 58 -3.455 -0.092 -3.672 1.00 0.00 N ATOM 942 CA TYR A 58 -2.279 0.833 -3.574 1.00 0.00 C ATOM 943 C TYR A 58 -1.045 0.330 -4.324 1.00 0.00 C ATOM 944 O TYR A 58 -0.959 -0.804 -4.752 1.00 0.00 O ATOM 945 CB TYR A 58 -2.004 0.963 -2.063 1.00 0.00 C ATOM 946 CG TYR A 58 -0.740 0.223 -1.641 1.00 0.00 C ATOM 947 CD1 TYR A 58 -0.545 -1.121 -1.989 1.00 0.00 C ATOM 948 CD2 TYR A 58 0.219 0.881 -0.860 1.00 0.00 C ATOM 949 CE1 TYR A 58 0.603 -1.794 -1.560 1.00 0.00 C ATOM 950 CE2 TYR A 58 1.359 0.201 -0.428 1.00 0.00 C ATOM 951 CZ TYR A 58 1.553 -1.135 -0.777 1.00 0.00 C ATOM 952 OH TYR A 58 2.680 -1.805 -0.348 1.00 0.00 O ATOM 0 H TYR A 58 -3.244 -1.070 -3.871 1.00 0.00 H new ATOM 0 HA TYR A 58 -2.502 1.790 -4.046 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -1.910 2.017 -1.802 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -2.855 0.572 -1.506 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -1.281 -1.636 -2.588 1.00 0.00 H new ATOM 0 HD2 TYR A 58 0.076 1.917 -0.591 1.00 0.00 H new ATOM 0 HE1 TYR A 58 0.756 -2.827 -1.835 1.00 0.00 H new ATOM 0 HE2 TYR A 58 2.093 0.711 0.178 1.00 0.00 H new ATOM 0 HH TYR A 58 2.868 -2.551 -0.955 1.00 0.00 H new ATOM 962 N GLN A 59 -0.081 1.202 -4.448 1.00 0.00 N ATOM 963 CA GLN A 59 1.195 0.862 -5.128 1.00 0.00 C ATOM 964 C GLN A 59 2.341 1.462 -4.306 1.00 0.00 C ATOM 965 O GLN A 59 2.392 2.655 -4.085 1.00 0.00 O ATOM 966 CB GLN A 59 1.099 1.527 -6.505 1.00 0.00 C ATOM 967 CG GLN A 59 -0.289 1.273 -7.100 1.00 0.00 C ATOM 968 CD GLN A 59 -0.200 1.296 -8.628 1.00 0.00 C ATOM 969 OE1 GLN A 59 0.664 1.939 -9.188 1.00 0.00 O ATOM 970 NE2 GLN A 59 -1.067 0.617 -9.329 1.00 0.00 N ATOM 0 H GLN A 59 -0.129 2.158 -4.097 1.00 0.00 H new ATOM 0 HA GLN A 59 1.372 -0.209 -5.225 1.00 0.00 H new ATOM 0 HB2 GLN A 59 1.278 2.599 -6.416 1.00 0.00 H new ATOM 0 HB3 GLN A 59 1.868 1.129 -7.167 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -0.671 0.310 -6.762 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -0.990 2.033 -6.754 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -1.793 0.077 -8.858 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -1.019 0.627 -10.348 1.00 0.00 H new ATOM 979 N LEU A 60 3.251 0.655 -3.837 1.00 0.00 N ATOM 980 CA LEU A 60 4.371 1.203 -3.016 1.00 0.00 C ATOM 981 C LEU A 60 5.697 0.849 -3.669 1.00 0.00 C ATOM 982 O LEU A 60 6.332 -0.130 -3.331 1.00 0.00 O ATOM 983 CB LEU A 60 4.230 0.536 -1.647 1.00 0.00 C ATOM 984 CG LEU A 60 5.484 0.782 -0.803 1.00 0.00 C ATOM 985 CD1 LEU A 60 5.153 1.759 0.328 1.00 0.00 C ATOM 986 CD2 LEU A 60 5.956 -0.541 -0.197 1.00 0.00 C ATOM 0 H LEU A 60 3.270 -0.354 -3.984 1.00 0.00 H new ATOM 0 HA LEU A 60 4.340 2.289 -2.928 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.354 0.930 -1.132 1.00 0.00 H new ATOM 0 HB3 LEU A 60 4.072 -0.535 -1.772 1.00 0.00 H new ATOM 0 HG LEU A 60 6.269 1.200 -1.434 1.00 0.00 H new ATOM 0 HD11 LEU A 60 6.045 1.935 0.930 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.809 2.703 -0.095 1.00 0.00 H new ATOM 0 HD13 LEU A 60 4.369 1.336 0.956 1.00 0.00 H new ATOM 0 HD21 LEU A 60 6.849 -0.368 0.404 1.00 0.00 H new ATOM 0 HD22 LEU A 60 5.168 -0.954 0.433 1.00 0.00 H new ATOM 0 HD23 LEU A 60 6.188 -1.245 -0.996 1.00 0.00 H new ATOM 998 N TYR A 61 6.108 1.635 -4.615 1.00 0.00 N ATOM 999 CA TYR A 61 7.380 1.351 -5.312 1.00 0.00 C ATOM 1000 C TYR A 61 8.547 1.727 -4.397 1.00 0.00 C ATOM 1001 O TYR A 61 8.782 2.884 -4.119 1.00 0.00 O ATOM 1002 CB TYR A 61 7.287 2.219 -6.566 1.00 0.00 C ATOM 1003 CG TYR A 61 8.656 2.637 -7.067 1.00 0.00 C ATOM 1004 CD1 TYR A 61 9.769 1.806 -6.885 1.00 0.00 C ATOM 1005 CD2 TYR A 61 8.805 3.864 -7.725 1.00 0.00 C ATOM 1006 CE1 TYR A 61 11.027 2.202 -7.358 1.00 0.00 C ATOM 1007 CE2 TYR A 61 10.062 4.259 -8.199 1.00 0.00 C ATOM 1008 CZ TYR A 61 11.173 3.428 -8.014 1.00 0.00 C ATOM 1009 OH TYR A 61 12.412 3.818 -8.481 1.00 0.00 O ATOM 0 H TYR A 61 5.613 2.467 -4.936 1.00 0.00 H new ATOM 0 HA TYR A 61 7.545 0.305 -5.571 1.00 0.00 H new ATOM 0 HB2 TYR A 61 6.766 1.670 -7.350 1.00 0.00 H new ATOM 0 HB3 TYR A 61 6.693 3.107 -6.350 1.00 0.00 H new ATOM 0 HD1 TYR A 61 9.657 0.858 -6.379 1.00 0.00 H new ATOM 0 HD2 TYR A 61 7.949 4.507 -7.867 1.00 0.00 H new ATOM 0 HE1 TYR A 61 11.884 1.560 -7.216 1.00 0.00 H new ATOM 0 HE2 TYR A 61 10.174 5.205 -8.707 1.00 0.00 H new ATOM 0 HH TYR A 61 12.338 4.695 -8.913 1.00 0.00 H new ATOM 1019 N VAL A 62 9.267 0.747 -3.910 1.00 0.00 N ATOM 1020 CA VAL A 62 10.402 1.034 -2.992 1.00 0.00 C ATOM 1021 C VAL A 62 11.348 -0.156 -2.959 1.00 0.00 C ATOM 1022 O VAL A 62 11.320 -1.016 -3.816 1.00 0.00 O ATOM 1023 CB VAL A 62 9.764 1.203 -1.612 1.00 0.00 C ATOM 1024 CG1 VAL A 62 8.801 2.388 -1.615 1.00 0.00 C ATOM 1025 CG2 VAL A 62 8.995 -0.068 -1.251 1.00 0.00 C ATOM 0 H VAL A 62 9.114 -0.241 -4.112 1.00 0.00 H new ATOM 0 HA VAL A 62 10.968 1.912 -3.303 1.00 0.00 H new ATOM 0 HB VAL A 62 10.550 1.385 -0.879 1.00 0.00 H new ATOM 0 HG11 VAL A 62 8.354 2.496 -0.627 1.00 0.00 H new ATOM 0 HG12 VAL A 62 9.345 3.298 -1.869 1.00 0.00 H new ATOM 0 HG13 VAL A 62 8.016 2.217 -2.351 1.00 0.00 H new ATOM 0 HG21 VAL A 62 8.539 0.049 -0.268 1.00 0.00 H new ATOM 0 HG22 VAL A 62 8.217 -0.245 -1.993 1.00 0.00 H new ATOM 0 HG23 VAL A 62 9.680 -0.915 -1.234 1.00 0.00 H new ATOM 1035 N TYR A 63 12.167 -0.224 -1.955 1.00 0.00 N ATOM 1036 CA TYR A 63 13.096 -1.373 -1.835 1.00 0.00 C ATOM 1037 C TYR A 63 13.092 -1.882 -0.401 1.00 0.00 C ATOM 1038 O TYR A 63 13.137 -1.117 0.542 1.00 0.00 O ATOM 1039 CB TYR A 63 14.474 -0.841 -2.205 1.00 0.00 C ATOM 1040 CG TYR A 63 15.366 -2.006 -2.557 1.00 0.00 C ATOM 1041 CD1 TYR A 63 15.618 -3.012 -1.614 1.00 0.00 C ATOM 1042 CD2 TYR A 63 15.940 -2.080 -3.828 1.00 0.00 C ATOM 1043 CE1 TYR A 63 16.447 -4.090 -1.947 1.00 0.00 C ATOM 1044 CE2 TYR A 63 16.769 -3.158 -4.162 1.00 0.00 C ATOM 1045 CZ TYR A 63 17.022 -4.163 -3.221 1.00 0.00 C ATOM 1046 OH TYR A 63 17.841 -5.225 -3.549 1.00 0.00 O ATOM 0 H TYR A 63 12.234 0.469 -1.209 1.00 0.00 H new ATOM 0 HA TYR A 63 12.807 -2.201 -2.483 1.00 0.00 H new ATOM 0 HB2 TYR A 63 14.400 -0.154 -3.048 1.00 0.00 H new ATOM 0 HB3 TYR A 63 14.898 -0.279 -1.373 1.00 0.00 H new ATOM 0 HD1 TYR A 63 15.173 -2.956 -0.632 1.00 0.00 H new ATOM 0 HD2 TYR A 63 15.744 -1.305 -4.554 1.00 0.00 H new ATOM 0 HE1 TYR A 63 16.643 -4.865 -1.221 1.00 0.00 H new ATOM 0 HE2 TYR A 63 17.213 -3.214 -5.145 1.00 0.00 H new ATOM 0 HH TYR A 63 18.355 -5.005 -4.354 1.00 0.00 H new ATOM 1056 N ALA A 64 13.029 -3.165 -0.228 1.00 0.00 N ATOM 1057 CA ALA A 64 13.014 -3.724 1.145 1.00 0.00 C ATOM 1058 C ALA A 64 14.010 -4.884 1.242 1.00 0.00 C ATOM 1059 O ALA A 64 15.162 -4.749 0.878 1.00 0.00 O ATOM 1060 CB ALA A 64 11.583 -4.210 1.326 1.00 0.00 C ATOM 0 H ALA A 64 12.987 -3.854 -0.979 1.00 0.00 H new ATOM 0 HA ALA A 64 13.302 -3.004 1.911 1.00 0.00 H new ATOM 0 HB1 ALA A 64 11.469 -4.644 2.319 1.00 0.00 H new ATOM 0 HB2 ALA A 64 10.897 -3.370 1.216 1.00 0.00 H new ATOM 0 HB3 ALA A 64 11.357 -4.964 0.572 1.00 0.00 H new ATOM 1066 N SER A 65 13.580 -6.025 1.715 1.00 0.00 N ATOM 1067 CA SER A 65 14.507 -7.188 1.807 1.00 0.00 C ATOM 1068 C SER A 65 14.340 -8.057 0.560 1.00 0.00 C ATOM 1069 O SER A 65 15.296 -8.554 -0.003 1.00 0.00 O ATOM 1070 CB SER A 65 14.076 -7.953 3.060 1.00 0.00 C ATOM 1071 OG SER A 65 12.826 -7.452 3.514 1.00 0.00 O ATOM 0 H SER A 65 12.629 -6.200 2.040 1.00 0.00 H new ATOM 0 HA SER A 65 15.554 -6.891 1.867 1.00 0.00 H new ATOM 0 HB2 SER A 65 13.995 -9.017 2.839 1.00 0.00 H new ATOM 0 HB3 SER A 65 14.828 -7.846 3.841 1.00 0.00 H new ATOM 0 HG SER A 65 12.201 -8.197 3.640 1.00 0.00 H new ATOM 1077 N ASP A 66 13.123 -8.228 0.116 1.00 0.00 N ATOM 1078 CA ASP A 66 12.870 -9.046 -1.103 1.00 0.00 C ATOM 1079 C ASP A 66 12.022 -8.244 -2.098 1.00 0.00 C ATOM 1080 O ASP A 66 11.730 -8.694 -3.188 1.00 0.00 O ATOM 1081 CB ASP A 66 12.105 -10.274 -0.610 1.00 0.00 C ATOM 1082 CG ASP A 66 10.901 -9.825 0.219 1.00 0.00 C ATOM 1083 OD1 ASP A 66 10.099 -9.065 -0.301 1.00 0.00 O ATOM 1084 OD2 ASP A 66 10.801 -10.246 1.359 1.00 0.00 O ATOM 0 H ASP A 66 12.289 -7.833 0.550 1.00 0.00 H new ATOM 0 HA ASP A 66 13.790 -9.326 -1.616 1.00 0.00 H new ATOM 0 HB2 ASP A 66 11.773 -10.874 -1.458 1.00 0.00 H new ATOM 0 HB3 ASP A 66 12.759 -10.906 -0.009 1.00 0.00 H new ATOM 1089 N LYS A 67 11.632 -7.055 -1.724 1.00 0.00 N ATOM 1090 CA LYS A 67 10.808 -6.207 -2.634 1.00 0.00 C ATOM 1091 C LYS A 67 11.677 -5.102 -3.239 1.00 0.00 C ATOM 1092 O LYS A 67 11.776 -4.014 -2.713 1.00 0.00 O ATOM 1093 CB LYS A 67 9.730 -5.609 -1.734 1.00 0.00 C ATOM 1094 CG LYS A 67 9.160 -4.330 -2.362 1.00 0.00 C ATOM 1095 CD LYS A 67 9.555 -3.124 -1.508 1.00 0.00 C ATOM 1096 CE LYS A 67 8.708 -3.102 -0.237 1.00 0.00 C ATOM 1097 NZ LYS A 67 7.303 -3.237 -0.714 1.00 0.00 N ATOM 0 H LYS A 67 11.850 -6.632 -0.822 1.00 0.00 H new ATOM 0 HA LYS A 67 10.381 -6.770 -3.464 1.00 0.00 H new ATOM 0 HB2 LYS A 67 8.931 -6.334 -1.581 1.00 0.00 H new ATOM 0 HB3 LYS A 67 10.149 -5.385 -0.753 1.00 0.00 H new ATOM 0 HG2 LYS A 67 9.539 -4.210 -3.377 1.00 0.00 H new ATOM 0 HG3 LYS A 67 8.075 -4.399 -2.433 1.00 0.00 H new ATOM 0 HD2 LYS A 67 10.613 -3.177 -1.252 1.00 0.00 H new ATOM 0 HD3 LYS A 67 9.409 -2.202 -2.071 1.00 0.00 H new ATOM 0 HE2 LYS A 67 8.979 -3.918 0.433 1.00 0.00 H new ATOM 0 HE3 LYS A 67 8.850 -2.174 0.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 6.663 -2.762 -0.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 7.211 -2.799 -1.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 7.053 -4.245 -0.776 1.00 0.00 H new ATOM 1111 N LEU A 68 12.295 -5.370 -4.342 1.00 0.00 N ATOM 1112 CA LEU A 68 13.145 -4.327 -4.987 1.00 0.00 C ATOM 1113 C LEU A 68 12.358 -3.689 -6.131 1.00 0.00 C ATOM 1114 O LEU A 68 12.748 -3.751 -7.279 1.00 0.00 O ATOM 1115 CB LEU A 68 14.387 -5.054 -5.520 1.00 0.00 C ATOM 1116 CG LEU A 68 14.722 -6.263 -4.637 1.00 0.00 C ATOM 1117 CD1 LEU A 68 16.137 -6.748 -4.950 1.00 0.00 C ATOM 1118 CD2 LEU A 68 14.637 -5.858 -3.163 1.00 0.00 C ATOM 0 H LEU A 68 12.254 -6.264 -4.832 1.00 0.00 H new ATOM 0 HA LEU A 68 13.433 -3.537 -4.293 1.00 0.00 H new ATOM 0 HB2 LEU A 68 14.212 -5.382 -6.545 1.00 0.00 H new ATOM 0 HB3 LEU A 68 15.234 -4.369 -5.545 1.00 0.00 H new ATOM 0 HG LEU A 68 14.011 -7.065 -4.836 1.00 0.00 H new ATOM 0 HD11 LEU A 68 16.374 -7.607 -4.322 1.00 0.00 H new ATOM 0 HD12 LEU A 68 16.199 -7.037 -5.999 1.00 0.00 H new ATOM 0 HD13 LEU A 68 16.849 -5.946 -4.752 1.00 0.00 H new ATOM 0 HD21 LEU A 68 14.875 -6.717 -2.535 1.00 0.00 H new ATOM 0 HD22 LEU A 68 15.348 -5.056 -2.965 1.00 0.00 H new ATOM 0 HD23 LEU A 68 13.628 -5.513 -2.938 1.00 0.00 H new ATOM 1130 N PHE A 69 11.245 -3.083 -5.811 1.00 0.00 N ATOM 1131 CA PHE A 69 10.389 -2.440 -6.845 1.00 0.00 C ATOM 1132 C PHE A 69 9.094 -2.007 -6.156 1.00 0.00 C ATOM 1133 O PHE A 69 9.020 -0.916 -5.652 1.00 0.00 O ATOM 1134 CB PHE A 69 10.164 -3.518 -7.912 1.00 0.00 C ATOM 1135 CG PHE A 69 9.079 -3.120 -8.898 1.00 0.00 C ATOM 1136 CD1 PHE A 69 8.516 -1.835 -8.888 1.00 0.00 C ATOM 1137 CD2 PHE A 69 8.631 -4.066 -9.830 1.00 0.00 C ATOM 1138 CE1 PHE A 69 7.509 -1.508 -9.805 1.00 0.00 C ATOM 1139 CE2 PHE A 69 7.626 -3.738 -10.742 1.00 0.00 C ATOM 1140 CZ PHE A 69 7.064 -2.459 -10.730 1.00 0.00 C ATOM 0 H PHE A 69 10.889 -3.007 -4.858 1.00 0.00 H new ATOM 0 HA PHE A 69 10.823 -1.556 -7.311 1.00 0.00 H new ATOM 0 HB2 PHE A 69 11.095 -3.697 -8.449 1.00 0.00 H new ATOM 0 HB3 PHE A 69 9.889 -4.456 -7.429 1.00 0.00 H new ATOM 0 HD1 PHE A 69 8.858 -1.100 -8.175 1.00 0.00 H new ATOM 0 HD2 PHE A 69 9.066 -5.055 -9.843 1.00 0.00 H new ATOM 0 HE1 PHE A 69 7.075 -0.519 -9.798 1.00 0.00 H new ATOM 0 HE2 PHE A 69 7.283 -4.472 -11.456 1.00 0.00 H new ATOM 0 HZ PHE A 69 6.286 -2.204 -11.435 1.00 0.00 H new ATOM 1150 N ARG A 70 8.079 -2.828 -6.088 1.00 0.00 N ATOM 1151 CA ARG A 70 6.847 -2.351 -5.379 1.00 0.00 C ATOM 1152 C ARG A 70 6.035 -3.489 -4.789 1.00 0.00 C ATOM 1153 O ARG A 70 6.057 -4.610 -5.249 1.00 0.00 O ATOM 1154 CB ARG A 70 6.000 -1.639 -6.432 1.00 0.00 C ATOM 1155 CG ARG A 70 4.668 -1.162 -5.808 1.00 0.00 C ATOM 1156 CD ARG A 70 4.218 0.119 -6.510 1.00 0.00 C ATOM 1157 NE ARG A 70 4.234 -0.216 -7.961 1.00 0.00 N ATOM 1158 CZ ARG A 70 3.142 -0.112 -8.669 1.00 0.00 C ATOM 1159 NH1 ARG A 70 2.295 -1.104 -8.712 1.00 0.00 N ATOM 1160 NH2 ARG A 70 2.897 0.983 -9.334 1.00 0.00 N ATOM 0 H ARG A 70 8.043 -3.771 -6.474 1.00 0.00 H new ATOM 0 HA ARG A 70 7.134 -1.705 -4.549 1.00 0.00 H new ATOM 0 HB2 ARG A 70 6.547 -0.787 -6.835 1.00 0.00 H new ATOM 0 HB3 ARG A 70 5.800 -2.313 -7.265 1.00 0.00 H new ATOM 0 HG2 ARG A 70 3.906 -1.935 -5.911 1.00 0.00 H new ATOM 0 HG3 ARG A 70 4.796 -0.981 -4.741 1.00 0.00 H new ATOM 0 HD2 ARG A 70 3.222 0.419 -6.184 1.00 0.00 H new ATOM 0 HD3 ARG A 70 4.890 0.948 -6.288 1.00 0.00 H new ATOM 0 HE ARG A 70 5.099 -0.527 -8.402 1.00 0.00 H new ATOM 0 HH11 ARG A 70 2.486 -1.961 -8.192 1.00 0.00 H new ATOM 0 HH12 ARG A 70 1.442 -1.023 -9.265 1.00 0.00 H new ATOM 0 HH21 ARG A 70 3.559 1.759 -9.301 1.00 0.00 H new ATOM 0 HH22 ARG A 70 2.044 1.064 -9.887 1.00 0.00 H new ATOM 1174 N ALA A 71 5.268 -3.166 -3.797 1.00 0.00 N ATOM 1175 CA ALA A 71 4.369 -4.156 -3.173 1.00 0.00 C ATOM 1176 C ALA A 71 2.955 -3.620 -3.357 1.00 0.00 C ATOM 1177 O ALA A 71 2.627 -2.559 -2.864 1.00 0.00 O ATOM 1178 CB ALA A 71 4.760 -4.195 -1.695 1.00 0.00 C ATOM 0 H ALA A 71 5.227 -2.234 -3.384 1.00 0.00 H new ATOM 0 HA ALA A 71 4.433 -5.158 -3.598 1.00 0.00 H new ATOM 0 HB1 ALA A 71 4.129 -4.913 -1.171 1.00 0.00 H new ATOM 0 HB2 ALA A 71 5.804 -4.494 -1.603 1.00 0.00 H new ATOM 0 HB3 ALA A 71 4.626 -3.206 -1.257 1.00 0.00 H new ATOM 1184 N ASP A 72 2.129 -4.298 -4.097 1.00 0.00 N ATOM 1185 CA ASP A 72 0.759 -3.768 -4.323 1.00 0.00 C ATOM 1186 C ASP A 72 -0.207 -4.342 -3.288 1.00 0.00 C ATOM 1187 O ASP A 72 0.102 -5.290 -2.598 1.00 0.00 O ATOM 1188 CB ASP A 72 0.379 -4.230 -5.730 1.00 0.00 C ATOM 1189 CG ASP A 72 0.402 -3.033 -6.683 1.00 0.00 C ATOM 1190 OD1 ASP A 72 1.473 -2.489 -6.892 1.00 0.00 O ATOM 1191 OD2 ASP A 72 -0.652 -2.682 -7.187 1.00 0.00 O ATOM 0 H ASP A 72 2.339 -5.187 -4.551 1.00 0.00 H new ATOM 0 HA ASP A 72 0.716 -2.683 -4.228 1.00 0.00 H new ATOM 0 HB2 ASP A 72 1.075 -4.995 -6.073 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -0.613 -4.682 -5.721 1.00 0.00 H new ATOM 1196 N ILE A 73 -1.372 -3.772 -3.182 1.00 0.00 N ATOM 1197 CA ILE A 73 -2.370 -4.278 -2.200 1.00 0.00 C ATOM 1198 C ILE A 73 -3.765 -3.803 -2.611 1.00 0.00 C ATOM 1199 O ILE A 73 -4.053 -2.626 -2.624 1.00 0.00 O ATOM 1200 CB ILE A 73 -1.927 -3.705 -0.837 1.00 0.00 C ATOM 1201 CG1 ILE A 73 -2.165 -4.758 0.248 1.00 0.00 C ATOM 1202 CG2 ILE A 73 -2.713 -2.436 -0.482 1.00 0.00 C ATOM 1203 CD1 ILE A 73 -3.667 -4.990 0.417 1.00 0.00 C ATOM 0 H ILE A 73 -1.679 -2.972 -3.736 1.00 0.00 H new ATOM 0 HA ILE A 73 -2.419 -5.366 -2.152 1.00 0.00 H new ATOM 0 HB ILE A 73 -0.870 -3.448 -0.900 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -1.671 -5.691 -0.022 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -1.729 -4.428 1.191 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -2.377 -2.058 0.483 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -2.545 -1.678 -1.247 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -3.776 -2.669 -0.430 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -3.835 -5.740 1.190 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -4.149 -4.056 0.707 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -4.089 -5.339 -0.525 1.00 0.00 H new ATOM 1215 N SER A 74 -4.625 -4.711 -2.970 1.00 0.00 N ATOM 1216 CA SER A 74 -5.992 -4.311 -3.398 1.00 0.00 C ATOM 1217 C SER A 74 -7.017 -4.739 -2.342 1.00 0.00 C ATOM 1218 O SER A 74 -6.876 -5.778 -1.727 1.00 0.00 O ATOM 1219 CB SER A 74 -6.224 -5.080 -4.699 1.00 0.00 C ATOM 1220 OG SER A 74 -6.667 -4.181 -5.707 1.00 0.00 O ATOM 0 H SER A 74 -4.441 -5.714 -2.986 1.00 0.00 H new ATOM 0 HA SER A 74 -6.093 -3.233 -3.527 1.00 0.00 H new ATOM 0 HB2 SER A 74 -5.303 -5.571 -5.013 1.00 0.00 H new ATOM 0 HB3 SER A 74 -6.966 -5.864 -4.544 1.00 0.00 H new ATOM 0 HG SER A 74 -6.814 -4.673 -6.542 1.00 0.00 H new ATOM 1226 N GLU A 75 -8.050 -3.967 -2.121 1.00 0.00 N ATOM 1227 CA GLU A 75 -9.056 -4.379 -1.097 1.00 0.00 C ATOM 1228 C GLU A 75 -10.328 -3.534 -1.181 1.00 0.00 C ATOM 1229 O GLU A 75 -10.369 -2.402 -0.749 1.00 0.00 O ATOM 1230 CB GLU A 75 -8.361 -4.165 0.247 1.00 0.00 C ATOM 1231 CG GLU A 75 -7.890 -5.509 0.803 1.00 0.00 C ATOM 1232 CD GLU A 75 -7.750 -5.411 2.323 1.00 0.00 C ATOM 1233 OE1 GLU A 75 -8.769 -5.376 2.992 1.00 0.00 O ATOM 1234 OE2 GLU A 75 -6.624 -5.370 2.792 1.00 0.00 O ATOM 0 H GLU A 75 -8.239 -3.084 -2.596 1.00 0.00 H new ATOM 0 HA GLU A 75 -9.372 -5.412 -1.245 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -7.511 -3.493 0.125 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -9.045 -3.689 0.950 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -8.602 -6.292 0.542 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -6.935 -5.785 0.356 1.00 0.00 H new ATOM 1241 N ASP A 76 -11.367 -4.096 -1.727 1.00 0.00 N ATOM 1242 CA ASP A 76 -12.661 -3.358 -1.846 1.00 0.00 C ATOM 1243 C ASP A 76 -13.235 -2.975 -0.479 1.00 0.00 C ATOM 1244 O ASP A 76 -12.516 -2.740 0.471 1.00 0.00 O ATOM 1245 CB ASP A 76 -13.573 -4.375 -2.486 1.00 0.00 C ATOM 1246 CG ASP A 76 -13.812 -5.516 -1.490 1.00 0.00 C ATOM 1247 OD1 ASP A 76 -12.857 -5.928 -0.851 1.00 0.00 O ATOM 1248 OD2 ASP A 76 -14.945 -5.956 -1.384 1.00 0.00 O ATOM 0 H ASP A 76 -11.379 -5.045 -2.101 1.00 0.00 H new ATOM 0 HA ASP A 76 -12.546 -2.427 -2.402 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -14.520 -3.912 -2.764 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -13.125 -4.760 -3.402 1.00 0.00 H new ATOM 1365 N LYS A 83 -9.595 -8.840 -1.948 1.00 0.00 N ATOM 1366 CA LYS A 83 -8.517 -8.654 -0.936 1.00 0.00 C ATOM 1367 C LYS A 83 -7.242 -9.285 -1.500 1.00 0.00 C ATOM 1368 O LYS A 83 -7.208 -10.468 -1.773 1.00 0.00 O ATOM 1369 CB LYS A 83 -8.994 -9.409 0.305 1.00 0.00 C ATOM 1370 CG LYS A 83 -9.176 -8.427 1.459 1.00 0.00 C ATOM 1371 CD LYS A 83 -9.391 -9.200 2.761 1.00 0.00 C ATOM 1372 CE LYS A 83 -9.493 -8.216 3.929 1.00 0.00 C ATOM 1373 NZ LYS A 83 -8.963 -8.960 5.106 1.00 0.00 N ATOM 0 HA LYS A 83 -8.312 -7.610 -0.697 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -9.935 -9.918 0.095 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -8.270 -10.177 0.577 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -8.299 -7.785 1.546 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -10.029 -7.777 1.265 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -10.300 -9.798 2.695 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -8.565 -9.892 2.926 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -8.912 -7.314 3.737 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -10.524 -7.902 4.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -9.000 -8.350 5.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -9.540 -9.810 5.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -7.978 -9.240 4.925 1.00 0.00 H new ATOM 1387 N LEU A 84 -6.203 -8.523 -1.719 1.00 0.00 N ATOM 1388 CA LEU A 84 -4.982 -9.135 -2.308 1.00 0.00 C ATOM 1389 C LEU A 84 -3.800 -8.169 -2.290 1.00 0.00 C ATOM 1390 O LEU A 84 -3.839 -7.115 -1.688 1.00 0.00 O ATOM 1391 CB LEU A 84 -5.377 -9.433 -3.754 1.00 0.00 C ATOM 1392 CG LEU A 84 -6.031 -8.194 -4.367 1.00 0.00 C ATOM 1393 CD1 LEU A 84 -5.687 -8.118 -5.856 1.00 0.00 C ATOM 1394 CD2 LEU A 84 -7.549 -8.284 -4.199 1.00 0.00 C ATOM 0 H LEU A 84 -6.148 -7.524 -1.520 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.666 -10.016 -1.750 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -4.497 -9.717 -4.332 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -6.067 -10.276 -3.788 1.00 0.00 H new ATOM 0 HG LEU A 84 -5.661 -7.301 -3.863 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -6.153 -7.235 -6.293 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -4.606 -8.055 -5.977 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -6.057 -9.010 -6.361 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -8.016 -7.401 -4.636 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -7.919 -9.177 -4.703 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -7.795 -8.338 -3.139 1.00 0.00 H new ATOM 1406 N LEU A 85 -2.752 -8.536 -2.971 1.00 0.00 N ATOM 1407 CA LEU A 85 -1.545 -7.674 -3.043 1.00 0.00 C ATOM 1408 C LEU A 85 -0.594 -8.250 -4.094 1.00 0.00 C ATOM 1409 O LEU A 85 -0.845 -9.298 -4.656 1.00 0.00 O ATOM 1410 CB LEU A 85 -0.955 -7.705 -1.619 1.00 0.00 C ATOM 1411 CG LEU A 85 0.281 -8.614 -1.531 1.00 0.00 C ATOM 1412 CD1 LEU A 85 1.168 -8.138 -0.386 1.00 0.00 C ATOM 1413 CD2 LEU A 85 -0.166 -10.056 -1.272 1.00 0.00 C ATOM 0 H LEU A 85 -2.682 -9.412 -3.489 1.00 0.00 H new ATOM 0 HA LEU A 85 -1.746 -6.646 -3.343 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.684 -6.694 -1.316 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -1.714 -8.055 -0.919 1.00 0.00 H new ATOM 0 HG LEU A 85 0.839 -8.573 -2.467 1.00 0.00 H new ATOM 0 HD11 LEU A 85 2.048 -8.778 -0.317 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.481 -7.110 -0.571 1.00 0.00 H new ATOM 0 HD13 LEU A 85 0.611 -8.185 0.550 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.709 -10.703 -1.209 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -0.719 -10.102 -0.334 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -0.806 -10.391 -2.088 1.00 0.00 H new ATOM 1425 N ARG A 86 0.495 -7.588 -4.366 1.00 0.00 N ATOM 1426 CA ARG A 86 1.435 -8.134 -5.384 1.00 0.00 C ATOM 1427 C ARG A 86 2.876 -7.718 -5.080 1.00 0.00 C ATOM 1428 O ARG A 86 3.134 -6.670 -4.522 1.00 0.00 O ATOM 1429 CB ARG A 86 0.996 -7.534 -6.729 1.00 0.00 C ATOM 1430 CG ARG A 86 -0.518 -7.303 -6.748 1.00 0.00 C ATOM 1431 CD ARG A 86 -0.967 -6.965 -8.171 1.00 0.00 C ATOM 1432 NE ARG A 86 -2.158 -6.087 -8.000 1.00 0.00 N ATOM 1433 CZ ARG A 86 -2.799 -5.646 -9.048 1.00 0.00 C ATOM 1434 NH1 ARG A 86 -2.259 -5.741 -10.231 1.00 0.00 N ATOM 1435 NH2 ARG A 86 -3.980 -5.108 -8.911 1.00 0.00 N ATOM 0 H ARG A 86 0.773 -6.706 -3.935 1.00 0.00 H new ATOM 0 HA ARG A 86 1.409 -9.224 -5.391 1.00 0.00 H new ATOM 0 HB2 ARG A 86 1.515 -6.591 -6.899 1.00 0.00 H new ATOM 0 HB3 ARG A 86 1.277 -8.204 -7.541 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -1.037 -8.194 -6.394 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -0.781 -6.491 -6.070 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -0.177 -6.456 -8.724 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -1.218 -7.866 -8.730 1.00 0.00 H new ATOM 0 HE ARG A 86 -2.473 -5.830 -7.064 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -1.335 -6.160 -10.338 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -2.760 -5.396 -11.050 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -4.402 -5.032 -7.985 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -4.481 -4.763 -9.730 1.00 0.00 H new ATOM 1449 N PHE A 87 3.811 -8.520 -5.496 1.00 0.00 N ATOM 1450 CA PHE A 87 5.245 -8.189 -5.305 1.00 0.00 C ATOM 1451 C PHE A 87 5.762 -7.722 -6.663 1.00 0.00 C ATOM 1452 O PHE A 87 6.076 -8.522 -7.521 1.00 0.00 O ATOM 1453 CB PHE A 87 5.936 -9.495 -4.898 1.00 0.00 C ATOM 1454 CG PHE A 87 5.262 -10.141 -3.700 1.00 0.00 C ATOM 1455 CD1 PHE A 87 4.007 -10.759 -3.837 1.00 0.00 C ATOM 1456 CD2 PHE A 87 5.918 -10.168 -2.456 1.00 0.00 C ATOM 1457 CE1 PHE A 87 3.414 -11.395 -2.737 1.00 0.00 C ATOM 1458 CE2 PHE A 87 5.327 -10.822 -1.367 1.00 0.00 C ATOM 1459 CZ PHE A 87 4.080 -11.429 -1.514 1.00 0.00 C ATOM 0 H PHE A 87 3.638 -9.407 -5.969 1.00 0.00 H new ATOM 0 HA PHE A 87 5.422 -7.420 -4.553 1.00 0.00 H new ATOM 0 HB2 PHE A 87 5.926 -10.189 -5.739 1.00 0.00 H new ATOM 0 HB3 PHE A 87 6.981 -9.295 -4.663 1.00 0.00 H new ATOM 0 HD1 PHE A 87 3.499 -10.744 -4.790 1.00 0.00 H new ATOM 0 HD2 PHE A 87 6.877 -9.685 -2.340 1.00 0.00 H new ATOM 0 HE1 PHE A 87 2.443 -11.857 -2.838 1.00 0.00 H new ATOM 0 HE2 PHE A 87 5.836 -10.856 -0.415 1.00 0.00 H new ATOM 0 HZ PHE A 87 3.626 -11.930 -0.672 1.00 0.00 H new ATOM 1469 N ASN A 88 5.820 -6.444 -6.885 1.00 0.00 N ATOM 1470 CA ASN A 88 6.278 -5.954 -8.208 1.00 0.00 C ATOM 1471 C ASN A 88 7.750 -6.294 -8.411 1.00 0.00 C ATOM 1472 O ASN A 88 8.584 -5.973 -7.592 1.00 0.00 O ATOM 1473 CB ASN A 88 6.050 -4.450 -8.147 1.00 0.00 C ATOM 1474 CG ASN A 88 5.194 -4.019 -9.342 1.00 0.00 C ATOM 1475 OD1 ASN A 88 5.249 -4.626 -10.392 1.00 0.00 O ATOM 1476 ND2 ASN A 88 4.393 -2.995 -9.223 1.00 0.00 N ATOM 0 H ASN A 88 5.571 -5.720 -6.211 1.00 0.00 H new ATOM 0 HA ASN A 88 5.747 -6.409 -9.044 1.00 0.00 H new ATOM 0 HB2 ASN A 88 5.553 -4.183 -7.214 1.00 0.00 H new ATOM 0 HB3 ASN A 88 7.005 -3.925 -8.161 1.00 0.00 H new ATOM 0 HD21 ASN A 88 3.814 -2.706 -10.012 1.00 0.00 H new ATOM 0 HD22 ASN A 88 4.346 -2.484 -8.341 1.00 0.00 H new ATOM 1483 N GLY A 89 8.036 -6.961 -9.512 1.00 0.00 N ATOM 1484 CA GLY A 89 9.430 -7.392 -9.871 1.00 0.00 C ATOM 1485 C GLY A 89 10.484 -6.805 -8.931 1.00 0.00 C ATOM 1486 O GLY A 89 10.902 -5.676 -9.089 1.00 0.00 O ATOM 0 H GLY A 89 7.333 -7.233 -10.199 1.00 0.00 H new ATOM 0 HA2 GLY A 89 9.489 -8.480 -9.844 1.00 0.00 H new ATOM 0 HA3 GLY A 89 9.649 -7.086 -10.894 1.00 0.00 H new ATOM 1490 N PRO A 90 10.895 -7.611 -7.992 1.00 0.00 N ATOM 1491 CA PRO A 90 11.929 -7.181 -7.026 1.00 0.00 C ATOM 1492 C PRO A 90 13.304 -7.177 -7.700 1.00 0.00 C ATOM 1493 O PRO A 90 14.092 -8.086 -7.531 1.00 0.00 O ATOM 1494 CB PRO A 90 11.862 -8.242 -5.932 1.00 0.00 C ATOM 1495 CG PRO A 90 11.300 -9.456 -6.602 1.00 0.00 C ATOM 1496 CD PRO A 90 10.437 -8.982 -7.743 1.00 0.00 C ATOM 0 HA PRO A 90 11.770 -6.174 -6.641 1.00 0.00 H new ATOM 0 HB2 PRO A 90 12.849 -8.443 -5.516 1.00 0.00 H new ATOM 0 HB3 PRO A 90 11.228 -7.918 -5.107 1.00 0.00 H new ATOM 0 HG2 PRO A 90 12.101 -10.098 -6.968 1.00 0.00 H new ATOM 0 HG3 PRO A 90 10.714 -10.047 -5.898 1.00 0.00 H new ATOM 0 HD2 PRO A 90 10.562 -9.610 -8.625 1.00 0.00 H new ATOM 0 HD3 PRO A 90 9.379 -9.008 -7.480 1.00 0.00 H new ATOM 1504 N VAL A 91 13.596 -6.162 -8.466 1.00 0.00 N ATOM 1505 CA VAL A 91 14.921 -6.101 -9.153 1.00 0.00 C ATOM 1506 C VAL A 91 16.040 -5.877 -8.132 1.00 0.00 C ATOM 1507 O VAL A 91 16.032 -4.843 -7.486 1.00 0.00 O ATOM 1508 CB VAL A 91 14.828 -4.912 -10.115 1.00 0.00 C ATOM 1509 CG1 VAL A 91 14.217 -3.703 -9.400 1.00 0.00 C ATOM 1510 CG2 VAL A 91 16.232 -4.549 -10.605 1.00 0.00 C ATOM 0 H VAL A 91 12.976 -5.372 -8.647 1.00 0.00 H new ATOM 0 HA VAL A 91 15.149 -7.029 -9.678 1.00 0.00 H new ATOM 0 HB VAL A 91 14.196 -5.185 -10.960 1.00 0.00 H new ATOM 0 HG11 VAL A 91 14.155 -2.864 -10.093 1.00 0.00 H new ATOM 0 HG12 VAL A 91 13.217 -3.956 -9.047 1.00 0.00 H new ATOM 0 HG13 VAL A 91 14.843 -3.428 -8.551 1.00 0.00 H new ATOM 0 HG21 VAL A 91 16.171 -3.703 -11.290 1.00 0.00 H new ATOM 0 HG22 VAL A 91 16.857 -4.281 -9.753 1.00 0.00 H new ATOM 0 HG23 VAL A 91 16.669 -5.403 -11.122 1.00 0.00 H new