USER MOD reduce.3.24.130724 H: found=0, std=0, add=599, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 599 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 69 HIS : no HE2:sc= 0.137 K(o=0.14,f=-2.8!) USER MOD Set 1.2: A 74 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 18 GLN : amide:sc= -0.799 K(o=-0.2,f=2.1) USER MOD Set 2.2: A 50 TYR OH : rot -140:sc= 0.603 USER MOD Single : A 1 MET CE :methyl -176:sc= 0 (180deg=-0.0256) USER MOD Single : A 1 MET N :NH3+ -107:sc= 0.00441 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= -2.23 K(o=-2.2,f=-7.7!) USER MOD Single : A 3 HIS : no HE2:sc= 0.229 K(o=0.23,f=-0.85) USER MOD Single : A 5 TYR OH : rot 112:sc= -2.52! USER MOD Single : A 11 THR OG1 : rot -89:sc= -1.01 USER MOD Single : A 23 ASN : amide:sc= -1.05! C(o=-1.1!,f=-2!) USER MOD Single : A 26 TYR OH : rot -161:sc= 1.04 USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=-0.079) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 90:sc= -0.913 USER MOD Single : A 38 GLN : amide:sc= -3.04 X(o=-3,f=-3.4!) USER MOD Single : A 41 TYR OH : rot 14:sc= -0.514 USER MOD Single : A 47 HIS : no HD1:sc= -2.47 X(o=-2.5,f=-2) USER MOD Single : A 49 ASN : amide:sc= -1.64 K(o=-1.6,f=-7.3!) USER MOD Single : A 54 THR OG1 : rot -47:sc= 0.888 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -0.768 K(o=-0.77,f=-0.014) USER MOD Single : A 70 HIS : no HD1:sc= -6.75! K(o=-6.7!,f=-4.1) USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 180:sc= -0.393 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.620 -8.535 -11.202 1.00 0.00 N ATOM 2 CA MET A 1 -7.596 -7.734 -11.923 1.00 0.00 C ATOM 3 C MET A 1 -6.932 -6.723 -10.994 1.00 0.00 C ATOM 4 O MET A 1 -7.589 -6.121 -10.145 1.00 0.00 O ATOM 5 CB MET A 1 -8.276 -7.012 -13.089 1.00 0.00 C ATOM 6 CG MET A 1 -8.633 -7.929 -14.246 1.00 0.00 C ATOM 7 SD MET A 1 -9.119 -7.022 -15.727 1.00 0.00 S ATOM 8 CE MET A 1 -10.720 -6.394 -15.228 1.00 0.00 C ATOM 0 H1 MET A 1 -8.263 -9.500 -11.051 1.00 0.00 H new ATOM 0 H2 MET A 1 -8.822 -8.093 -10.282 1.00 0.00 H new ATOM 0 H3 MET A 1 -9.492 -8.573 -11.767 1.00 0.00 H new ATOM 0 HA MET A 1 -6.817 -8.399 -12.294 1.00 0.00 H new ATOM 0 HB2 MET A 1 -9.183 -6.528 -12.727 1.00 0.00 H new ATOM 0 HB3 MET A 1 -7.617 -6.223 -13.451 1.00 0.00 H new ATOM 0 HG2 MET A 1 -7.778 -8.564 -14.478 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.447 -8.588 -13.944 1.00 0.00 H new ATOM 0 HE1 MET A 1 -11.182 -5.870 -16.064 1.00 0.00 H new ATOM 0 HE2 MET A 1 -11.358 -7.224 -14.923 1.00 0.00 H new ATOM 0 HE3 MET A 1 -10.596 -5.706 -14.392 1.00 0.00 H new ATOM 20 N GLN A 2 -5.625 -6.544 -11.161 1.00 0.00 N ATOM 21 CA GLN A 2 -4.872 -5.604 -10.338 1.00 0.00 C ATOM 22 C GLN A 2 -4.577 -4.321 -11.106 1.00 0.00 C ATOM 23 O GLN A 2 -4.715 -4.273 -12.329 1.00 0.00 O ATOM 24 CB GLN A 2 -3.563 -6.244 -9.868 1.00 0.00 C ATOM 25 CG GLN A 2 -3.761 -7.515 -9.059 1.00 0.00 C ATOM 26 CD GLN A 2 -3.090 -7.453 -7.701 1.00 0.00 C ATOM 27 OE1 GLN A 2 -2.304 -8.332 -7.344 1.00 0.00 O ATOM 28 NE2 GLN A 2 -3.398 -6.413 -6.934 1.00 0.00 N ATOM 0 H GLN A 2 -5.066 -7.037 -11.858 1.00 0.00 H new ATOM 0 HA GLN A 2 -5.480 -5.352 -9.469 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -2.946 -6.470 -10.738 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -3.012 -5.522 -9.265 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -4.828 -7.693 -8.925 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -3.364 -8.362 -9.618 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -4.054 -5.708 -7.270 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -2.978 -6.319 -6.009 1.00 0.00 H new ATOM 37 N HIS A 3 -4.174 -3.283 -10.382 1.00 0.00 N ATOM 38 CA HIS A 3 -3.860 -1.998 -10.996 1.00 0.00 C ATOM 39 C HIS A 3 -2.569 -1.419 -10.421 1.00 0.00 C ATOM 40 O HIS A 3 -2.582 -0.786 -9.367 1.00 0.00 O ATOM 41 CB HIS A 3 -5.014 -1.013 -10.788 1.00 0.00 C ATOM 42 CG HIS A 3 -5.804 -0.746 -12.031 1.00 0.00 C ATOM 43 ND1 HIS A 3 -6.295 -1.748 -12.841 1.00 0.00 N ATOM 44 CD2 HIS A 3 -6.188 0.420 -12.603 1.00 0.00 C ATOM 45 CE1 HIS A 3 -6.946 -1.210 -13.858 1.00 0.00 C ATOM 46 NE2 HIS A 3 -6.896 0.104 -13.735 1.00 0.00 N ATOM 0 H HIS A 3 -4.057 -3.306 -9.369 1.00 0.00 H new ATOM 0 HA HIS A 3 -3.719 -2.160 -12.065 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -5.681 -1.405 -10.020 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -4.614 -0.071 -10.412 1.00 0.00 H new ATOM 0 HD1 HIS A 3 -6.175 -2.748 -12.681 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -5.976 1.414 -12.236 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -7.435 -1.752 -14.654 1.00 0.00 H new ATOM 55 N PRO A 4 -1.431 -1.628 -11.109 1.00 0.00 N ATOM 56 CA PRO A 4 -0.127 -1.121 -10.659 1.00 0.00 C ATOM 57 C PRO A 4 -0.117 0.398 -10.523 1.00 0.00 C ATOM 58 O PRO A 4 -0.941 1.088 -11.125 1.00 0.00 O ATOM 59 CB PRO A 4 0.835 -1.556 -11.772 1.00 0.00 C ATOM 60 CG PRO A 4 0.144 -2.682 -12.460 1.00 0.00 C ATOM 61 CD PRO A 4 -1.322 -2.376 -12.374 1.00 0.00 C ATOM 0 HA PRO A 4 0.138 -1.505 -9.674 1.00 0.00 H new ATOM 0 HB2 PRO A 4 1.037 -0.736 -12.462 1.00 0.00 H new ATOM 0 HB3 PRO A 4 1.795 -1.872 -11.363 1.00 0.00 H new ATOM 0 HG2 PRO A 4 0.466 -2.763 -13.498 1.00 0.00 H new ATOM 0 HG3 PRO A 4 0.374 -3.633 -11.980 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -1.661 -1.783 -13.224 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -1.924 -3.285 -12.359 1.00 0.00 H new ATOM 69 N TYR A 5 0.825 0.917 -9.742 1.00 0.00 N ATOM 70 CA TYR A 5 0.939 2.359 -9.547 1.00 0.00 C ATOM 71 C TYR A 5 2.386 2.774 -9.363 1.00 0.00 C ATOM 72 O TYR A 5 2.835 3.759 -9.949 1.00 0.00 O ATOM 73 CB TYR A 5 0.116 2.821 -8.343 1.00 0.00 C ATOM 74 CG TYR A 5 -1.281 3.250 -8.717 1.00 0.00 C ATOM 75 CD1 TYR A 5 -2.242 2.310 -9.051 1.00 0.00 C ATOM 76 CD2 TYR A 5 -1.629 4.591 -8.753 1.00 0.00 C ATOM 77 CE1 TYR A 5 -3.519 2.695 -9.410 1.00 0.00 C ATOM 78 CE2 TYR A 5 -2.903 4.988 -9.114 1.00 0.00 C ATOM 79 CZ TYR A 5 -3.845 4.035 -9.441 1.00 0.00 C ATOM 80 OH TYR A 5 -5.114 4.423 -9.802 1.00 0.00 O ATOM 0 H TYR A 5 1.517 0.365 -9.236 1.00 0.00 H new ATOM 0 HA TYR A 5 0.547 2.837 -10.445 1.00 0.00 H new ATOM 0 HB2 TYR A 5 0.060 2.011 -7.616 1.00 0.00 H new ATOM 0 HB3 TYR A 5 0.628 3.651 -7.857 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -1.989 1.260 -9.030 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -0.893 5.338 -8.495 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -4.259 1.951 -9.665 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -3.159 6.037 -9.140 1.00 0.00 H new ATOM 0 HH TYR A 5 -5.573 4.805 -9.025 1.00 0.00 H new ATOM 90 N VAL A 6 3.120 2.019 -8.555 1.00 0.00 N ATOM 91 CA VAL A 6 4.518 2.327 -8.314 1.00 0.00 C ATOM 92 C VAL A 6 4.675 3.696 -7.660 1.00 0.00 C ATOM 93 O VAL A 6 4.116 4.689 -8.126 1.00 0.00 O ATOM 94 CB VAL A 6 5.312 2.308 -9.628 1.00 0.00 C ATOM 95 CG1 VAL A 6 6.804 2.427 -9.362 1.00 0.00 C ATOM 96 CG2 VAL A 6 4.998 1.048 -10.416 1.00 0.00 C ATOM 0 H VAL A 6 2.772 1.197 -8.061 1.00 0.00 H new ATOM 0 HA VAL A 6 4.907 1.563 -7.641 1.00 0.00 H new ATOM 0 HB VAL A 6 5.012 3.169 -10.225 1.00 0.00 H new ATOM 0 HG11 VAL A 6 7.345 2.411 -10.308 1.00 0.00 H new ATOM 0 HG12 VAL A 6 7.008 3.364 -8.843 1.00 0.00 H new ATOM 0 HG13 VAL A 6 7.131 1.591 -8.743 1.00 0.00 H new ATOM 0 HG21 VAL A 6 5.568 1.048 -11.345 1.00 0.00 H new ATOM 0 HG22 VAL A 6 5.268 0.173 -9.825 1.00 0.00 H new ATOM 0 HG23 VAL A 6 3.933 1.018 -10.644 1.00 0.00 H new ATOM 106 N GLY A 7 5.434 3.745 -6.572 1.00 0.00 N ATOM 107 CA GLY A 7 5.643 4.995 -5.868 1.00 0.00 C ATOM 108 C GLY A 7 5.966 4.783 -4.405 1.00 0.00 C ATOM 109 O GLY A 7 5.456 3.852 -3.786 1.00 0.00 O ATOM 0 H GLY A 7 5.909 2.940 -6.164 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.457 5.544 -6.342 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.749 5.612 -5.955 1.00 0.00 H new ATOM 113 N ILE A 8 6.805 5.648 -3.838 1.00 0.00 N ATOM 114 CA ILE A 8 7.157 5.527 -2.431 1.00 0.00 C ATOM 115 C ILE A 8 6.229 6.384 -1.590 1.00 0.00 C ATOM 116 O ILE A 8 6.430 7.584 -1.436 1.00 0.00 O ATOM 117 CB ILE A 8 8.629 5.910 -2.172 1.00 0.00 C ATOM 118 CG1 ILE A 8 9.539 4.899 -2.884 1.00 0.00 C ATOM 119 CG2 ILE A 8 8.915 5.970 -0.673 1.00 0.00 C ATOM 120 CD1 ILE A 8 10.632 4.307 -2.015 1.00 0.00 C ATOM 0 H ILE A 8 7.246 6.428 -4.325 1.00 0.00 H new ATOM 0 HA ILE A 8 7.040 4.482 -2.146 1.00 0.00 H new ATOM 0 HB ILE A 8 8.828 6.904 -2.573 1.00 0.00 H new ATOM 0 HG12 ILE A 8 8.923 4.088 -3.273 1.00 0.00 H new ATOM 0 HG13 ILE A 8 10.001 5.388 -3.742 1.00 0.00 H new ATOM 0 HG21 ILE A 8 9.958 6.242 -0.512 1.00 0.00 H new ATOM 0 HG22 ILE A 8 8.270 6.716 -0.209 1.00 0.00 H new ATOM 0 HG23 ILE A 8 8.721 4.995 -0.226 1.00 0.00 H new ATOM 0 HD11 ILE A 8 11.224 3.605 -2.602 1.00 0.00 H new ATOM 0 HD12 ILE A 8 11.276 5.105 -1.647 1.00 0.00 H new ATOM 0 HD13 ILE A 8 10.183 3.785 -1.170 1.00 0.00 H new ATOM 132 N TRP A 9 5.206 5.743 -1.057 1.00 0.00 N ATOM 133 CA TRP A 9 4.217 6.422 -0.237 1.00 0.00 C ATOM 134 C TRP A 9 4.673 6.471 1.212 1.00 0.00 C ATOM 135 O TRP A 9 4.702 5.454 1.906 1.00 0.00 O ATOM 136 CB TRP A 9 2.861 5.723 -0.381 1.00 0.00 C ATOM 137 CG TRP A 9 2.449 5.572 -1.821 1.00 0.00 C ATOM 138 CD1 TRP A 9 2.992 4.725 -2.747 1.00 0.00 C ATOM 139 CD2 TRP A 9 1.420 6.298 -2.504 1.00 0.00 C ATOM 140 NE1 TRP A 9 2.371 4.881 -3.963 1.00 0.00 N ATOM 141 CE2 TRP A 9 1.397 5.839 -3.838 1.00 0.00 C ATOM 142 CE3 TRP A 9 0.513 7.291 -2.119 1.00 0.00 C ATOM 143 CZ2 TRP A 9 0.506 6.342 -4.783 1.00 0.00 C ATOM 144 CZ3 TRP A 9 -0.371 7.786 -3.059 1.00 0.00 C ATOM 145 CH2 TRP A 9 -0.368 7.311 -4.376 1.00 0.00 C ATOM 0 H TRP A 9 5.036 4.744 -1.178 1.00 0.00 H new ATOM 0 HA TRP A 9 4.106 7.451 -0.578 1.00 0.00 H new ATOM 0 HB2 TRP A 9 2.910 4.739 0.086 1.00 0.00 H new ATOM 0 HB3 TRP A 9 2.102 6.293 0.155 1.00 0.00 H new ATOM 0 HD1 TRP A 9 3.796 4.031 -2.550 1.00 0.00 H new ATOM 0 HE1 TRP A 9 2.597 4.370 -4.816 1.00 0.00 H new ATOM 0 HE3 TRP A 9 0.504 7.664 -1.106 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 0.506 5.980 -5.800 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 -1.076 8.552 -2.773 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -1.072 7.719 -5.086 1.00 0.00 H new ATOM 156 N VAL A 10 5.058 7.664 1.650 1.00 0.00 N ATOM 157 CA VAL A 10 5.550 7.860 3.008 1.00 0.00 C ATOM 158 C VAL A 10 4.606 8.729 3.831 1.00 0.00 C ATOM 159 O VAL A 10 3.846 9.530 3.292 1.00 0.00 O ATOM 160 CB VAL A 10 6.956 8.502 2.996 1.00 0.00 C ATOM 161 CG1 VAL A 10 7.424 8.841 4.405 1.00 0.00 C ATOM 162 CG2 VAL A 10 7.955 7.582 2.310 1.00 0.00 C ATOM 0 H VAL A 10 5.039 8.512 1.083 1.00 0.00 H new ATOM 0 HA VAL A 10 5.605 6.875 3.471 1.00 0.00 H new ATOM 0 HB VAL A 10 6.893 9.433 2.433 1.00 0.00 H new ATOM 0 HG11 VAL A 10 8.416 9.291 4.361 1.00 0.00 H new ATOM 0 HG12 VAL A 10 6.727 9.544 4.861 1.00 0.00 H new ATOM 0 HG13 VAL A 10 7.465 7.931 5.004 1.00 0.00 H new ATOM 0 HG21 VAL A 10 8.940 8.049 2.310 1.00 0.00 H new ATOM 0 HG22 VAL A 10 8.003 6.634 2.845 1.00 0.00 H new ATOM 0 HG23 VAL A 10 7.639 7.403 1.282 1.00 0.00 H new ATOM 172 N THR A 11 4.671 8.555 5.146 1.00 0.00 N ATOM 173 CA THR A 11 3.831 9.311 6.066 1.00 0.00 C ATOM 174 C THR A 11 4.176 10.798 6.036 1.00 0.00 C ATOM 175 O THR A 11 5.006 11.237 5.240 1.00 0.00 O ATOM 176 CB THR A 11 3.986 8.760 7.483 1.00 0.00 C ATOM 177 OG1 THR A 11 5.268 8.179 7.657 1.00 0.00 O ATOM 178 CG2 THR A 11 2.954 7.710 7.826 1.00 0.00 C ATOM 0 H THR A 11 5.300 7.893 5.600 1.00 0.00 H new ATOM 0 HA THR A 11 2.794 9.202 5.749 1.00 0.00 H new ATOM 0 HB THR A 11 3.848 9.614 8.146 1.00 0.00 H new ATOM 0 HG1 THR A 11 5.236 7.233 7.403 1.00 0.00 H new ATOM 0 HG21 THR A 11 3.117 7.358 8.845 1.00 0.00 H new ATOM 0 HG22 THR A 11 1.956 8.141 7.747 1.00 0.00 H new ATOM 0 HG23 THR A 11 3.043 6.872 7.134 1.00 0.00 H new ATOM 186 N ALA A 12 3.527 11.570 6.907 1.00 0.00 N ATOM 187 CA ALA A 12 3.761 13.010 6.977 1.00 0.00 C ATOM 188 C ALA A 12 4.973 13.340 7.845 1.00 0.00 C ATOM 189 O ALA A 12 5.545 14.425 7.736 1.00 0.00 O ATOM 190 CB ALA A 12 2.522 13.726 7.503 1.00 0.00 C ATOM 0 H ALA A 12 2.837 11.222 7.572 1.00 0.00 H new ATOM 0 HA ALA A 12 3.970 13.360 5.966 1.00 0.00 H new ATOM 0 HB1 ALA A 12 2.713 14.798 7.549 1.00 0.00 H new ATOM 0 HB2 ALA A 12 1.681 13.536 6.836 1.00 0.00 H new ATOM 0 HB3 ALA A 12 2.284 13.357 8.501 1.00 0.00 H new ATOM 196 N ASP A 13 5.361 12.406 8.708 1.00 0.00 N ATOM 197 CA ASP A 13 6.504 12.613 9.588 1.00 0.00 C ATOM 198 C ASP A 13 7.716 11.829 9.097 1.00 0.00 C ATOM 199 O ASP A 13 8.858 12.203 9.365 1.00 0.00 O ATOM 200 CB ASP A 13 6.154 12.194 11.018 1.00 0.00 C ATOM 201 CG ASP A 13 5.806 13.378 11.897 1.00 0.00 C ATOM 202 OD1 ASP A 13 6.409 14.457 11.708 1.00 0.00 O ATOM 203 OD2 ASP A 13 4.930 13.229 12.774 1.00 0.00 O ATOM 0 H ASP A 13 4.902 11.502 8.816 1.00 0.00 H new ATOM 0 HA ASP A 13 6.753 13.674 9.578 1.00 0.00 H new ATOM 0 HB2 ASP A 13 5.312 11.502 10.995 1.00 0.00 H new ATOM 0 HB3 ASP A 13 6.997 11.657 11.453 1.00 0.00 H new ATOM 208 N GLY A 14 7.461 10.738 8.382 1.00 0.00 N ATOM 209 CA GLY A 14 8.542 9.920 7.873 1.00 0.00 C ATOM 210 C GLY A 14 8.887 8.786 8.814 1.00 0.00 C ATOM 211 O GLY A 14 10.015 8.291 8.814 1.00 0.00 O ATOM 0 H GLY A 14 6.525 10.407 8.147 1.00 0.00 H new ATOM 0 HA2 GLY A 14 8.262 9.512 6.902 1.00 0.00 H new ATOM 0 HA3 GLY A 14 9.424 10.541 7.716 1.00 0.00 H new ATOM 215 N ARG A 15 7.911 8.364 9.612 1.00 0.00 N ATOM 216 CA ARG A 15 8.125 7.268 10.555 1.00 0.00 C ATOM 217 C ARG A 15 8.095 5.935 9.821 1.00 0.00 C ATOM 218 O ARG A 15 8.753 4.977 10.227 1.00 0.00 O ATOM 219 CB ARG A 15 7.087 7.267 11.694 1.00 0.00 C ATOM 220 CG ARG A 15 5.936 8.247 11.518 1.00 0.00 C ATOM 221 CD ARG A 15 4.969 7.783 10.442 1.00 0.00 C ATOM 222 NE ARG A 15 3.752 7.210 11.011 1.00 0.00 N ATOM 223 CZ ARG A 15 2.744 7.935 11.491 1.00 0.00 C ATOM 224 NH1 ARG A 15 2.804 9.262 11.472 1.00 0.00 N ATOM 225 NH2 ARG A 15 1.674 7.334 11.991 1.00 0.00 N ATOM 0 H ARG A 15 6.971 8.760 9.626 1.00 0.00 H new ATOM 0 HA ARG A 15 9.105 7.416 11.008 1.00 0.00 H new ATOM 0 HB2 ARG A 15 6.677 6.262 11.790 1.00 0.00 H new ATOM 0 HB3 ARG A 15 7.597 7.494 12.630 1.00 0.00 H new ATOM 0 HG2 ARG A 15 5.404 8.359 12.463 1.00 0.00 H new ATOM 0 HG3 ARG A 15 6.330 9.229 11.256 1.00 0.00 H new ATOM 0 HD2 ARG A 15 4.708 8.625 9.801 1.00 0.00 H new ATOM 0 HD3 ARG A 15 5.458 7.041 9.810 1.00 0.00 H new ATOM 0 HE ARG A 15 3.670 6.194 11.042 1.00 0.00 H new ATOM 0 HH11 ARG A 15 3.625 9.730 11.088 1.00 0.00 H new ATOM 0 HH12 ARG A 15 2.029 9.813 11.841 1.00 0.00 H new ATOM 0 HH21 ARG A 15 1.623 6.315 12.008 1.00 0.00 H new ATOM 0 HH22 ARG A 15 0.902 7.890 12.359 1.00 0.00 H new ATOM 239 N ILE A 16 7.341 5.883 8.727 1.00 0.00 N ATOM 240 CA ILE A 16 7.245 4.669 7.929 1.00 0.00 C ATOM 241 C ILE A 16 7.211 5.010 6.446 1.00 0.00 C ATOM 242 O ILE A 16 6.809 6.106 6.059 1.00 0.00 O ATOM 243 CB ILE A 16 6.014 3.802 8.320 1.00 0.00 C ATOM 244 CG1 ILE A 16 4.848 3.969 7.335 1.00 0.00 C ATOM 245 CG2 ILE A 16 5.557 4.130 9.731 1.00 0.00 C ATOM 246 CD1 ILE A 16 4.787 2.872 6.293 1.00 0.00 C ATOM 0 H ILE A 16 6.790 6.666 8.375 1.00 0.00 H new ATOM 0 HA ILE A 16 8.134 4.074 8.137 1.00 0.00 H new ATOM 0 HB ILE A 16 6.332 2.760 8.277 1.00 0.00 H new ATOM 0 HG12 ILE A 16 3.911 3.986 7.891 1.00 0.00 H new ATOM 0 HG13 ILE A 16 4.939 4.933 6.834 1.00 0.00 H new ATOM 0 HG21 ILE A 16 4.695 3.514 9.987 1.00 0.00 H new ATOM 0 HG22 ILE A 16 6.367 3.929 10.432 1.00 0.00 H new ATOM 0 HG23 ILE A 16 5.280 5.183 9.788 1.00 0.00 H new ATOM 0 HD11 ILE A 16 3.941 3.048 5.628 1.00 0.00 H new ATOM 0 HD12 ILE A 16 5.710 2.869 5.713 1.00 0.00 H new ATOM 0 HD13 ILE A 16 4.666 1.908 6.787 1.00 0.00 H new ATOM 258 N ARG A 17 7.638 4.069 5.620 1.00 0.00 N ATOM 259 CA ARG A 17 7.662 4.278 4.180 1.00 0.00 C ATOM 260 C ARG A 17 7.164 3.039 3.441 1.00 0.00 C ATOM 261 O ARG A 17 7.574 1.918 3.742 1.00 0.00 O ATOM 262 CB ARG A 17 9.086 4.652 3.739 1.00 0.00 C ATOM 263 CG ARG A 17 9.647 3.815 2.595 1.00 0.00 C ATOM 264 CD ARG A 17 11.138 4.034 2.429 1.00 0.00 C ATOM 265 NE ARG A 17 11.925 3.088 3.218 1.00 0.00 N ATOM 266 CZ ARG A 17 12.376 3.333 4.448 1.00 0.00 C ATOM 267 NH1 ARG A 17 12.126 4.495 5.041 1.00 0.00 N ATOM 268 NH2 ARG A 17 13.080 2.410 5.089 1.00 0.00 N ATOM 0 H ARG A 17 7.973 3.154 5.921 1.00 0.00 H new ATOM 0 HA ARG A 17 6.990 5.098 3.928 1.00 0.00 H new ATOM 0 HB2 ARG A 17 9.094 5.700 3.440 1.00 0.00 H new ATOM 0 HB3 ARG A 17 9.752 4.560 4.597 1.00 0.00 H new ATOM 0 HG2 ARG A 17 9.452 2.760 2.785 1.00 0.00 H new ATOM 0 HG3 ARG A 17 9.134 4.073 1.668 1.00 0.00 H new ATOM 0 HD2 ARG A 17 11.403 3.936 1.376 1.00 0.00 H new ATOM 0 HD3 ARG A 17 11.390 5.052 2.728 1.00 0.00 H new ATOM 0 HE ARG A 17 12.143 2.183 2.801 1.00 0.00 H new ATOM 0 HH11 ARG A 17 11.584 5.210 4.555 1.00 0.00 H new ATOM 0 HH12 ARG A 17 12.476 4.673 5.983 1.00 0.00 H new ATOM 0 HH21 ARG A 17 13.275 1.515 4.641 1.00 0.00 H new ATOM 0 HH22 ARG A 17 13.426 2.595 6.030 1.00 0.00 H new ATOM 282 N GLN A 18 6.281 3.251 2.470 1.00 0.00 N ATOM 283 CA GLN A 18 5.731 2.154 1.681 1.00 0.00 C ATOM 284 C GLN A 18 6.068 2.335 0.207 1.00 0.00 C ATOM 285 O GLN A 18 5.593 3.269 -0.437 1.00 0.00 O ATOM 286 CB GLN A 18 4.217 2.068 1.875 1.00 0.00 C ATOM 287 CG GLN A 18 3.606 0.787 1.330 1.00 0.00 C ATOM 288 CD GLN A 18 2.200 0.988 0.804 1.00 0.00 C ATOM 289 OE1 GLN A 18 1.225 0.570 1.429 1.00 0.00 O ATOM 290 NE2 GLN A 18 2.087 1.634 -0.351 1.00 0.00 N ATOM 0 H GLN A 18 5.931 4.173 2.211 1.00 0.00 H new ATOM 0 HA GLN A 18 6.180 1.222 2.025 1.00 0.00 H new ATOM 0 HB2 GLN A 18 3.990 2.145 2.938 1.00 0.00 H new ATOM 0 HB3 GLN A 18 3.747 2.922 1.386 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.237 0.400 0.530 1.00 0.00 H new ATOM 0 HG3 GLN A 18 3.591 0.033 2.117 1.00 0.00 H new ATOM 0 HE21 GLN A 18 2.922 1.963 -0.835 1.00 0.00 H new ATOM 0 HE22 GLN A 18 1.165 1.801 -0.754 1.00 0.00 H new ATOM 299 N GLU A 19 6.900 1.441 -0.323 1.00 0.00 N ATOM 300 CA GLU A 19 7.300 1.520 -1.721 1.00 0.00 C ATOM 301 C GLU A 19 6.392 0.693 -2.607 1.00 0.00 C ATOM 302 O GLU A 19 6.216 -0.506 -2.394 1.00 0.00 O ATOM 303 CB GLU A 19 8.742 1.046 -1.904 1.00 0.00 C ATOM 304 CG GLU A 19 9.215 1.066 -3.349 1.00 0.00 C ATOM 305 CD GLU A 19 10.684 0.716 -3.487 1.00 0.00 C ATOM 306 OE1 GLU A 19 11.097 -0.333 -2.949 1.00 0.00 O ATOM 307 OE2 GLU A 19 11.420 1.490 -4.134 1.00 0.00 O ATOM 0 H GLU A 19 7.306 0.660 0.192 1.00 0.00 H new ATOM 0 HA GLU A 19 7.221 2.567 -2.014 1.00 0.00 H new ATOM 0 HB2 GLU A 19 9.401 1.677 -1.307 1.00 0.00 H new ATOM 0 HB3 GLU A 19 8.833 0.032 -1.515 1.00 0.00 H new ATOM 0 HG2 GLU A 19 8.621 0.362 -3.931 1.00 0.00 H new ATOM 0 HG3 GLU A 19 9.040 2.056 -3.771 1.00 0.00 H new ATOM 314 N LEU A 20 5.853 1.333 -3.630 1.00 0.00 N ATOM 315 CA LEU A 20 5.007 0.644 -4.581 1.00 0.00 C ATOM 316 C LEU A 20 5.885 0.166 -5.725 1.00 0.00 C ATOM 317 O LEU A 20 6.482 0.961 -6.452 1.00 0.00 O ATOM 318 CB LEU A 20 3.863 1.545 -5.057 1.00 0.00 C ATOM 319 CG LEU A 20 2.744 1.770 -4.032 1.00 0.00 C ATOM 320 CD1 LEU A 20 1.471 2.238 -4.713 1.00 0.00 C ATOM 321 CD2 LEU A 20 2.474 0.510 -3.224 1.00 0.00 C ATOM 0 H LEU A 20 5.987 2.326 -3.821 1.00 0.00 H new ATOM 0 HA LEU A 20 4.529 -0.217 -4.114 1.00 0.00 H new ATOM 0 HB2 LEU A 20 4.277 2.513 -5.339 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.428 1.110 -5.957 1.00 0.00 H new ATOM 0 HG LEU A 20 3.079 2.549 -3.348 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.693 2.390 -3.965 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.661 3.176 -5.235 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.143 1.484 -5.429 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.676 0.702 -2.507 1.00 0.00 H new ATOM 0 HD22 LEU A 20 2.173 -0.295 -3.895 1.00 0.00 H new ATOM 0 HD23 LEU A 20 3.379 0.219 -2.691 1.00 0.00 H new ATOM 333 N LEU A 21 6.021 -1.145 -5.815 1.00 0.00 N ATOM 334 CA LEU A 21 6.890 -1.773 -6.796 1.00 0.00 C ATOM 335 C LEU A 21 6.423 -1.593 -8.233 1.00 0.00 C ATOM 336 O LEU A 21 5.243 -1.371 -8.499 1.00 0.00 O ATOM 337 CB LEU A 21 7.023 -3.256 -6.469 1.00 0.00 C ATOM 338 CG LEU A 21 8.301 -3.659 -5.715 1.00 0.00 C ATOM 339 CD1 LEU A 21 9.035 -2.443 -5.156 1.00 0.00 C ATOM 340 CD2 LEU A 21 7.962 -4.621 -4.594 1.00 0.00 C ATOM 0 H LEU A 21 5.532 -1.805 -5.210 1.00 0.00 H new ATOM 0 HA LEU A 21 7.857 -1.274 -6.731 1.00 0.00 H new ATOM 0 HB2 LEU A 21 6.161 -3.557 -5.873 1.00 0.00 H new ATOM 0 HB3 LEU A 21 6.979 -3.820 -7.401 1.00 0.00 H new ATOM 0 HG LEU A 21 8.965 -4.149 -6.427 1.00 0.00 H new ATOM 0 HD11 LEU A 21 9.932 -2.770 -4.630 1.00 0.00 H new ATOM 0 HD12 LEU A 21 9.315 -1.779 -5.974 1.00 0.00 H new ATOM 0 HD13 LEU A 21 8.383 -1.911 -4.464 1.00 0.00 H new ATOM 0 HD21 LEU A 21 8.874 -4.900 -4.066 1.00 0.00 H new ATOM 0 HD22 LEU A 21 7.273 -4.141 -3.899 1.00 0.00 H new ATOM 0 HD23 LEU A 21 7.495 -5.514 -5.010 1.00 0.00 H new ATOM 352 N PRO A 22 7.378 -1.716 -9.181 1.00 0.00 N ATOM 353 CA PRO A 22 7.109 -1.589 -10.618 1.00 0.00 C ATOM 354 C PRO A 22 6.185 -2.689 -11.123 1.00 0.00 C ATOM 355 O PRO A 22 5.637 -2.603 -12.221 1.00 0.00 O ATOM 356 CB PRO A 22 8.497 -1.712 -11.265 1.00 0.00 C ATOM 357 CG PRO A 22 9.468 -1.478 -10.156 1.00 0.00 C ATOM 358 CD PRO A 22 8.799 -2.005 -8.922 1.00 0.00 C ATOM 0 HA PRO A 22 6.604 -0.653 -10.856 1.00 0.00 H new ATOM 0 HB2 PRO A 22 8.638 -2.697 -11.710 1.00 0.00 H new ATOM 0 HB3 PRO A 22 8.626 -0.980 -12.062 1.00 0.00 H new ATOM 0 HG2 PRO A 22 10.410 -1.994 -10.343 1.00 0.00 H new ATOM 0 HG3 PRO A 22 9.700 -0.418 -10.055 1.00 0.00 H new ATOM 0 HD2 PRO A 22 8.978 -3.072 -8.788 1.00 0.00 H new ATOM 0 HD3 PRO A 22 9.157 -1.506 -8.022 1.00 0.00 H new ATOM 366 N ASN A 23 6.008 -3.720 -10.302 1.00 0.00 N ATOM 367 CA ASN A 23 5.140 -4.838 -10.646 1.00 0.00 C ATOM 368 C ASN A 23 3.737 -4.608 -10.089 1.00 0.00 C ATOM 369 O ASN A 23 2.965 -5.549 -9.913 1.00 0.00 O ATOM 370 CB ASN A 23 5.723 -6.136 -10.076 1.00 0.00 C ATOM 371 CG ASN A 23 4.840 -7.348 -10.350 1.00 0.00 C ATOM 372 OD1 ASN A 23 4.126 -7.387 -11.352 1.00 0.00 O ATOM 373 ND2 ASN A 23 4.877 -8.348 -9.465 1.00 0.00 N ATOM 0 H ASN A 23 6.457 -3.803 -9.390 1.00 0.00 H new ATOM 0 HA ASN A 23 5.076 -4.918 -11.731 1.00 0.00 H new ATOM 0 HB2 ASN A 23 6.710 -6.306 -10.506 1.00 0.00 H new ATOM 0 HB3 ASN A 23 5.859 -6.027 -9.000 1.00 0.00 H new ATOM 0 HD21 ASN A 23 4.302 -9.178 -9.609 1.00 0.00 H new ATOM 0 HD22 ASN A 23 5.481 -8.282 -8.646 1.00 0.00 H new ATOM 380 N GLY A 24 3.419 -3.351 -9.786 1.00 0.00 N ATOM 381 CA GLY A 24 2.121 -3.043 -9.225 1.00 0.00 C ATOM 382 C GLY A 24 1.964 -3.696 -7.874 1.00 0.00 C ATOM 383 O GLY A 24 0.979 -4.385 -7.611 1.00 0.00 O ATOM 0 H GLY A 24 4.034 -2.548 -9.919 1.00 0.00 H new ATOM 0 HA2 GLY A 24 2.006 -1.963 -9.130 1.00 0.00 H new ATOM 0 HA3 GLY A 24 1.336 -3.389 -9.897 1.00 0.00 H new ATOM 387 N ARG A 25 2.963 -3.493 -7.024 1.00 0.00 N ATOM 388 CA ARG A 25 2.961 -4.083 -5.692 1.00 0.00 C ATOM 389 C ARG A 25 3.439 -3.082 -4.656 1.00 0.00 C ATOM 390 O ARG A 25 3.733 -1.937 -4.986 1.00 0.00 O ATOM 391 CB ARG A 25 3.838 -5.332 -5.677 1.00 0.00 C ATOM 392 CG ARG A 25 3.433 -6.339 -6.734 1.00 0.00 C ATOM 393 CD ARG A 25 2.062 -6.927 -6.436 1.00 0.00 C ATOM 394 NE ARG A 25 1.432 -7.477 -7.636 1.00 0.00 N ATOM 395 CZ ARG A 25 0.850 -8.675 -7.697 1.00 0.00 C ATOM 396 NH1 ARG A 25 0.809 -9.465 -6.630 1.00 0.00 N ATOM 397 NH2 ARG A 25 0.306 -9.087 -8.833 1.00 0.00 N ATOM 0 H ARG A 25 3.784 -2.925 -7.233 1.00 0.00 H new ATOM 0 HA ARG A 25 1.939 -4.365 -5.438 1.00 0.00 H new ATOM 0 HB2 ARG A 25 4.877 -5.044 -5.834 1.00 0.00 H new ATOM 0 HB3 ARG A 25 3.782 -5.800 -4.694 1.00 0.00 H new ATOM 0 HG2 ARG A 25 3.421 -5.858 -7.712 1.00 0.00 H new ATOM 0 HG3 ARG A 25 4.172 -7.139 -6.781 1.00 0.00 H new ATOM 0 HD2 ARG A 25 2.159 -7.711 -5.685 1.00 0.00 H new ATOM 0 HD3 ARG A 25 1.421 -6.155 -6.010 1.00 0.00 H new ATOM 0 HE ARG A 25 1.438 -6.907 -8.482 1.00 0.00 H new ATOM 0 HH11 ARG A 25 1.226 -9.157 -5.751 1.00 0.00 H new ATOM 0 HH12 ARG A 25 0.361 -10.379 -6.689 1.00 0.00 H new ATOM 0 HH21 ARG A 25 0.333 -8.488 -9.658 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -0.140 -10.003 -8.882 1.00 0.00 H new ATOM 411 N TYR A 26 3.483 -3.505 -3.397 1.00 0.00 N ATOM 412 CA TYR A 26 3.893 -2.610 -2.324 1.00 0.00 C ATOM 413 C TYR A 26 4.842 -3.274 -1.329 1.00 0.00 C ATOM 414 O TYR A 26 4.780 -4.479 -1.093 1.00 0.00 O ATOM 415 CB TYR A 26 2.647 -2.067 -1.620 1.00 0.00 C ATOM 416 CG TYR A 26 2.229 -2.824 -0.386 1.00 0.00 C ATOM 417 CD1 TYR A 26 2.972 -2.748 0.780 1.00 0.00 C ATOM 418 CD2 TYR A 26 1.084 -3.603 -0.391 1.00 0.00 C ATOM 419 CE1 TYR A 26 2.586 -3.433 1.915 1.00 0.00 C ATOM 420 CE2 TYR A 26 0.687 -4.290 0.737 1.00 0.00 C ATOM 421 CZ TYR A 26 1.442 -4.205 1.889 1.00 0.00 C ATOM 422 OH TYR A 26 1.051 -4.888 3.017 1.00 0.00 O ATOM 0 H TYR A 26 3.243 -4.450 -3.098 1.00 0.00 H new ATOM 0 HA TYR A 26 4.454 -1.788 -2.768 1.00 0.00 H new ATOM 0 HB2 TYR A 26 2.828 -1.028 -1.346 1.00 0.00 H new ATOM 0 HB3 TYR A 26 1.818 -2.071 -2.328 1.00 0.00 H new ATOM 0 HD1 TYR A 26 3.867 -2.144 0.802 1.00 0.00 H new ATOM 0 HD2 TYR A 26 0.493 -3.674 -1.292 1.00 0.00 H new ATOM 0 HE1 TYR A 26 3.175 -3.365 2.817 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -0.210 -4.891 0.719 1.00 0.00 H new ATOM 0 HH TYR A 26 0.432 -5.606 2.767 1.00 0.00 H new ATOM 432 N ASP A 27 5.707 -2.450 -0.748 1.00 0.00 N ATOM 433 CA ASP A 27 6.681 -2.895 0.240 1.00 0.00 C ATOM 434 C ASP A 27 6.941 -1.774 1.239 1.00 0.00 C ATOM 435 O ASP A 27 7.518 -0.747 0.885 1.00 0.00 O ATOM 436 CB ASP A 27 7.990 -3.286 -0.447 1.00 0.00 C ATOM 437 CG ASP A 27 8.243 -4.780 -0.410 1.00 0.00 C ATOM 438 OD1 ASP A 27 7.617 -5.507 -1.210 1.00 0.00 O ATOM 439 OD2 ASP A 27 9.066 -5.222 0.416 1.00 0.00 O ATOM 0 H ASP A 27 5.752 -1.451 -0.950 1.00 0.00 H new ATOM 0 HA ASP A 27 6.284 -3.765 0.763 1.00 0.00 H new ATOM 0 HB2 ASP A 27 7.966 -2.951 -1.484 1.00 0.00 H new ATOM 0 HB3 ASP A 27 8.819 -2.769 0.037 1.00 0.00 H new ATOM 444 N GLU A 28 6.502 -1.954 2.482 1.00 0.00 N ATOM 445 CA GLU A 28 6.689 -0.923 3.493 1.00 0.00 C ATOM 446 C GLU A 28 7.828 -1.262 4.447 1.00 0.00 C ATOM 447 O GLU A 28 7.925 -2.378 4.957 1.00 0.00 O ATOM 448 CB GLU A 28 5.372 -0.674 4.248 1.00 0.00 C ATOM 449 CG GLU A 28 5.532 -0.339 5.728 1.00 0.00 C ATOM 450 CD GLU A 28 4.239 -0.496 6.502 1.00 0.00 C ATOM 451 OE1 GLU A 28 3.302 0.293 6.259 1.00 0.00 O ATOM 452 OE2 GLU A 28 4.164 -1.408 7.352 1.00 0.00 O ATOM 0 H GLU A 28 6.021 -2.792 2.808 1.00 0.00 H new ATOM 0 HA GLU A 28 6.973 -0.001 2.986 1.00 0.00 H new ATOM 0 HB2 GLU A 28 4.840 0.143 3.761 1.00 0.00 H new ATOM 0 HB3 GLU A 28 4.745 -1.561 4.157 1.00 0.00 H new ATOM 0 HG2 GLU A 28 6.293 -0.986 6.163 1.00 0.00 H new ATOM 0 HG3 GLU A 28 5.890 0.686 5.829 1.00 0.00 H new ATOM 459 N ALA A 29 8.679 -0.269 4.685 1.00 0.00 N ATOM 460 CA ALA A 29 9.813 -0.419 5.582 1.00 0.00 C ATOM 461 C ALA A 29 9.745 0.614 6.699 1.00 0.00 C ATOM 462 O ALA A 29 10.009 1.797 6.479 1.00 0.00 O ATOM 463 CB ALA A 29 11.116 -0.277 4.808 1.00 0.00 C ATOM 0 H ALA A 29 8.601 0.656 4.263 1.00 0.00 H new ATOM 0 HA ALA A 29 9.777 -1.413 6.028 1.00 0.00 H new ATOM 0 HB1 ALA A 29 11.959 -0.391 5.490 1.00 0.00 H new ATOM 0 HB2 ALA A 29 11.167 -1.046 4.037 1.00 0.00 H new ATOM 0 HB3 ALA A 29 11.157 0.708 4.342 1.00 0.00 H new ATOM 469 N ARG A 30 9.383 0.164 7.892 1.00 0.00 N ATOM 470 CA ARG A 30 9.271 1.054 9.041 1.00 0.00 C ATOM 471 C ARG A 30 10.529 0.997 9.901 1.00 0.00 C ATOM 472 O ARG A 30 11.198 -0.034 9.975 1.00 0.00 O ATOM 473 CB ARG A 30 8.046 0.684 9.879 1.00 0.00 C ATOM 474 CG ARG A 30 6.814 0.369 9.044 1.00 0.00 C ATOM 475 CD ARG A 30 5.537 0.796 9.750 1.00 0.00 C ATOM 476 NE ARG A 30 4.942 -0.298 10.514 1.00 0.00 N ATOM 477 CZ ARG A 30 3.684 -0.300 10.948 1.00 0.00 C ATOM 478 NH1 ARG A 30 2.886 0.730 10.694 1.00 0.00 N ATOM 479 NH2 ARG A 30 3.222 -1.334 11.638 1.00 0.00 N ATOM 0 H ARG A 30 9.162 -0.812 8.090 1.00 0.00 H new ATOM 0 HA ARG A 30 9.155 2.073 8.671 1.00 0.00 H new ATOM 0 HB2 ARG A 30 8.286 -0.180 10.498 1.00 0.00 H new ATOM 0 HB3 ARG A 30 7.816 1.507 10.556 1.00 0.00 H new ATOM 0 HG2 ARG A 30 6.886 0.876 8.082 1.00 0.00 H new ATOM 0 HG3 ARG A 30 6.777 -0.701 8.838 1.00 0.00 H new ATOM 0 HD2 ARG A 30 5.754 1.629 10.419 1.00 0.00 H new ATOM 0 HD3 ARG A 30 4.819 1.157 9.014 1.00 0.00 H new ATOM 0 HE ARG A 30 5.525 -1.107 10.727 1.00 0.00 H new ATOM 0 HH11 ARG A 30 3.236 1.528 10.164 1.00 0.00 H new ATOM 0 HH12 ARG A 30 1.923 0.723 11.029 1.00 0.00 H new ATOM 0 HH21 ARG A 30 3.831 -2.128 11.836 1.00 0.00 H new ATOM 0 HH22 ARG A 30 2.258 -1.335 11.971 1.00 0.00 H new ATOM 493 N GLY A 31 10.848 2.116 10.549 1.00 0.00 N ATOM 494 CA GLY A 31 12.027 2.180 11.396 1.00 0.00 C ATOM 495 C GLY A 31 12.100 1.033 12.385 1.00 0.00 C ATOM 496 O GLY A 31 11.109 0.705 13.039 1.00 0.00 O ATOM 0 H GLY A 31 10.309 2.981 10.502 1.00 0.00 H new ATOM 0 HA2 GLY A 31 12.920 2.172 10.770 1.00 0.00 H new ATOM 0 HA3 GLY A 31 12.027 3.124 11.940 1.00 0.00 H new ATOM 500 N ASN A 32 13.275 0.420 12.494 1.00 0.00 N ATOM 501 CA ASN A 32 13.472 -0.698 13.407 1.00 0.00 C ATOM 502 C ASN A 32 12.486 -1.823 13.107 1.00 0.00 C ATOM 503 O ASN A 32 12.127 -2.600 13.993 1.00 0.00 O ATOM 504 CB ASN A 32 13.310 -0.236 14.857 1.00 0.00 C ATOM 505 CG ASN A 32 14.281 -0.926 15.795 1.00 0.00 C ATOM 506 OD1 ASN A 32 15.496 -0.862 15.609 1.00 0.00 O ATOM 507 ND2 ASN A 32 13.746 -1.591 16.812 1.00 0.00 N ATOM 0 H ASN A 32 14.105 0.680 11.961 1.00 0.00 H new ATOM 0 HA ASN A 32 14.484 -1.077 13.265 1.00 0.00 H new ATOM 0 HB2 ASN A 32 13.461 0.842 14.911 1.00 0.00 H new ATOM 0 HB3 ASN A 32 12.290 -0.432 15.186 1.00 0.00 H new ATOM 0 HD21 ASN A 32 14.348 -2.075 17.478 1.00 0.00 H new ATOM 0 HD22 ASN A 32 12.733 -1.617 16.928 1.00 0.00 H new ATOM 514 N ARG A 33 12.051 -1.904 11.854 1.00 0.00 N ATOM 515 CA ARG A 33 11.106 -2.932 11.438 1.00 0.00 C ATOM 516 C ARG A 33 10.841 -2.852 9.936 1.00 0.00 C ATOM 517 O ARG A 33 9.701 -2.681 9.504 1.00 0.00 O ATOM 518 CB ARG A 33 9.792 -2.787 12.211 1.00 0.00 C ATOM 519 CG ARG A 33 8.796 -3.904 11.942 1.00 0.00 C ATOM 520 CD ARG A 33 9.411 -5.273 12.178 1.00 0.00 C ATOM 521 NE ARG A 33 9.836 -5.903 10.930 1.00 0.00 N ATOM 522 CZ ARG A 33 10.587 -7.002 10.873 1.00 0.00 C ATOM 523 NH1 ARG A 33 10.999 -7.591 11.989 1.00 0.00 N ATOM 524 NH2 ARG A 33 10.927 -7.511 9.697 1.00 0.00 N ATOM 0 H ARG A 33 12.338 -1.269 11.109 1.00 0.00 H new ATOM 0 HA ARG A 33 11.543 -3.906 11.659 1.00 0.00 H new ATOM 0 HB2 ARG A 33 10.011 -2.757 13.278 1.00 0.00 H new ATOM 0 HB3 ARG A 33 9.333 -1.833 11.953 1.00 0.00 H new ATOM 0 HG2 ARG A 33 7.926 -3.779 12.587 1.00 0.00 H new ATOM 0 HG3 ARG A 33 8.442 -3.836 10.913 1.00 0.00 H new ATOM 0 HD2 ARG A 33 10.267 -5.176 12.845 1.00 0.00 H new ATOM 0 HD3 ARG A 33 8.687 -5.914 12.680 1.00 0.00 H new ATOM 0 HE ARG A 33 9.541 -5.477 10.052 1.00 0.00 H new ATOM 0 HH11 ARG A 33 10.741 -7.202 12.896 1.00 0.00 H new ATOM 0 HH12 ARG A 33 11.574 -8.432 11.939 1.00 0.00 H new ATOM 0 HH21 ARG A 33 10.614 -7.061 8.837 1.00 0.00 H new ATOM 0 HH22 ARG A 33 11.502 -8.352 9.652 1.00 0.00 H new ATOM 538 N LYS A 34 11.901 -2.979 9.145 1.00 0.00 N ATOM 539 CA LYS A 34 11.774 -2.926 7.692 1.00 0.00 C ATOM 540 C LYS A 34 11.133 -4.206 7.167 1.00 0.00 C ATOM 541 O LYS A 34 10.978 -5.177 7.906 1.00 0.00 O ATOM 542 CB LYS A 34 13.137 -2.711 7.031 1.00 0.00 C ATOM 543 CG LYS A 34 14.249 -3.557 7.626 1.00 0.00 C ATOM 544 CD LYS A 34 15.030 -2.782 8.672 1.00 0.00 C ATOM 545 CE LYS A 34 15.520 -3.687 9.789 1.00 0.00 C ATOM 546 NZ LYS A 34 15.511 -2.998 11.109 1.00 0.00 N ATOM 0 H LYS A 34 12.853 -3.119 9.483 1.00 0.00 H new ATOM 0 HA LYS A 34 11.133 -2.081 7.440 1.00 0.00 H new ATOM 0 HB2 LYS A 34 13.053 -2.934 5.967 1.00 0.00 H new ATOM 0 HB3 LYS A 34 13.409 -1.659 7.116 1.00 0.00 H new ATOM 0 HG2 LYS A 34 13.825 -4.455 8.076 1.00 0.00 H new ATOM 0 HG3 LYS A 34 14.923 -3.885 6.835 1.00 0.00 H new ATOM 0 HD2 LYS A 34 15.882 -2.291 8.201 1.00 0.00 H new ATOM 0 HD3 LYS A 34 14.400 -1.997 9.089 1.00 0.00 H new ATOM 0 HE2 LYS A 34 14.890 -4.575 9.839 1.00 0.00 H new ATOM 0 HE3 LYS A 34 16.531 -4.026 9.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 15.852 -3.650 11.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 16.132 -2.165 11.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 14.542 -2.697 11.337 1.00 0.00 H new ATOM 560 N SER A 35 10.755 -4.202 5.890 1.00 0.00 N ATOM 561 CA SER A 35 10.121 -5.367 5.280 1.00 0.00 C ATOM 562 C SER A 35 8.995 -5.893 6.166 1.00 0.00 C ATOM 563 O SER A 35 8.700 -7.088 6.170 1.00 0.00 O ATOM 564 CB SER A 35 11.154 -6.468 5.039 1.00 0.00 C ATOM 565 OG SER A 35 12.458 -5.927 4.913 1.00 0.00 O ATOM 0 H SER A 35 10.876 -3.408 5.261 1.00 0.00 H new ATOM 0 HA SER A 35 9.697 -5.063 4.323 1.00 0.00 H new ATOM 0 HB2 SER A 35 11.131 -7.180 5.864 1.00 0.00 H new ATOM 0 HB3 SER A 35 10.897 -7.020 4.135 1.00 0.00 H new ATOM 0 HG SER A 35 13.100 -6.652 4.761 1.00 0.00 H new ATOM 571 N ALA A 36 8.379 -4.988 6.922 1.00 0.00 N ATOM 572 CA ALA A 36 7.293 -5.348 7.824 1.00 0.00 C ATOM 573 C ALA A 36 6.176 -6.083 7.091 1.00 0.00 C ATOM 574 O ALA A 36 5.750 -7.160 7.508 1.00 0.00 O ATOM 575 CB ALA A 36 6.750 -4.100 8.503 1.00 0.00 C ATOM 0 H ALA A 36 8.616 -3.996 6.926 1.00 0.00 H new ATOM 0 HA ALA A 36 7.691 -6.025 8.580 1.00 0.00 H new ATOM 0 HB1 ALA A 36 5.938 -4.376 9.176 1.00 0.00 H new ATOM 0 HB2 ALA A 36 7.546 -3.620 9.072 1.00 0.00 H new ATOM 0 HB3 ALA A 36 6.376 -3.408 7.748 1.00 0.00 H new ATOM 581 N TYR A 37 5.700 -5.492 6.001 1.00 0.00 N ATOM 582 CA TYR A 37 4.627 -6.087 5.216 1.00 0.00 C ATOM 583 C TYR A 37 4.739 -5.716 3.741 1.00 0.00 C ATOM 584 O TYR A 37 5.272 -4.664 3.387 1.00 0.00 O ATOM 585 CB TYR A 37 3.270 -5.639 5.759 1.00 0.00 C ATOM 586 CG TYR A 37 2.421 -6.778 6.264 1.00 0.00 C ATOM 587 CD1 TYR A 37 2.741 -7.432 7.445 1.00 0.00 C ATOM 588 CD2 TYR A 37 1.303 -7.205 5.558 1.00 0.00 C ATOM 589 CE1 TYR A 37 1.971 -8.481 7.911 1.00 0.00 C ATOM 590 CE2 TYR A 37 0.527 -8.252 6.016 1.00 0.00 C ATOM 591 CZ TYR A 37 0.865 -8.887 7.193 1.00 0.00 C ATOM 592 OH TYR A 37 0.096 -9.931 7.652 1.00 0.00 O ATOM 0 H TYR A 37 6.041 -4.601 5.641 1.00 0.00 H new ATOM 0 HA TYR A 37 4.716 -7.170 5.300 1.00 0.00 H new ATOM 0 HB2 TYR A 37 3.428 -4.927 6.569 1.00 0.00 H new ATOM 0 HB3 TYR A 37 2.728 -5.113 4.973 1.00 0.00 H new ATOM 0 HD1 TYR A 37 3.606 -7.116 8.009 1.00 0.00 H new ATOM 0 HD2 TYR A 37 1.036 -6.710 4.636 1.00 0.00 H new ATOM 0 HE1 TYR A 37 2.234 -8.980 8.832 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -0.339 -8.572 5.456 1.00 0.00 H new ATOM 0 HH TYR A 37 -0.612 -9.585 8.235 1.00 0.00 H new ATOM 602 N GLN A 38 4.216 -6.591 2.888 1.00 0.00 N ATOM 603 CA GLN A 38 4.230 -6.375 1.444 1.00 0.00 C ATOM 604 C GLN A 38 3.194 -7.269 0.779 1.00 0.00 C ATOM 605 O GLN A 38 2.904 -8.361 1.266 1.00 0.00 O ATOM 606 CB GLN A 38 5.614 -6.659 0.845 1.00 0.00 C ATOM 607 CG GLN A 38 6.710 -6.898 1.875 1.00 0.00 C ATOM 608 CD GLN A 38 7.933 -7.567 1.280 1.00 0.00 C ATOM 609 OE1 GLN A 38 8.117 -7.582 0.062 1.00 0.00 O ATOM 610 NE2 GLN A 38 8.778 -8.128 2.137 1.00 0.00 N ATOM 0 H GLN A 38 3.773 -7.464 3.175 1.00 0.00 H new ATOM 0 HA GLN A 38 3.990 -5.328 1.260 1.00 0.00 H new ATOM 0 HB2 GLN A 38 5.544 -7.533 0.198 1.00 0.00 H new ATOM 0 HB3 GLN A 38 5.903 -5.818 0.214 1.00 0.00 H new ATOM 0 HG2 GLN A 38 7.001 -5.946 2.318 1.00 0.00 H new ATOM 0 HG3 GLN A 38 6.317 -7.518 2.681 1.00 0.00 H new ATOM 0 HE21 GLN A 38 8.587 -8.093 3.138 1.00 0.00 H new ATOM 0 HE22 GLN A 38 9.618 -8.594 1.794 1.00 0.00 H new ATOM 619 N GLY A 39 2.635 -6.807 -0.333 1.00 0.00 N ATOM 620 CA GLY A 39 1.636 -7.602 -1.023 1.00 0.00 C ATOM 621 C GLY A 39 1.242 -7.026 -2.365 1.00 0.00 C ATOM 622 O GLY A 39 2.079 -6.863 -3.251 1.00 0.00 O ATOM 0 H GLY A 39 2.851 -5.909 -0.765 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.020 -8.612 -1.166 1.00 0.00 H new ATOM 0 HA3 GLY A 39 0.749 -7.684 -0.395 1.00 0.00 H new ATOM 626 N ARG A 40 -0.041 -6.722 -2.514 1.00 0.00 N ATOM 627 CA ARG A 40 -0.555 -6.163 -3.753 1.00 0.00 C ATOM 628 C ARG A 40 -1.805 -5.350 -3.470 1.00 0.00 C ATOM 629 O ARG A 40 -2.399 -5.466 -2.399 1.00 0.00 O ATOM 630 CB ARG A 40 -0.862 -7.278 -4.754 1.00 0.00 C ATOM 631 CG ARG A 40 -2.050 -8.144 -4.361 1.00 0.00 C ATOM 632 CD ARG A 40 -1.633 -9.585 -4.104 1.00 0.00 C ATOM 633 NE ARG A 40 -1.925 -10.451 -5.243 1.00 0.00 N ATOM 634 CZ ARG A 40 -1.365 -11.645 -5.430 1.00 0.00 C ATOM 635 NH1 ARG A 40 -0.484 -12.116 -4.556 1.00 0.00 N ATOM 636 NH2 ARG A 40 -1.687 -12.368 -6.494 1.00 0.00 N ATOM 0 H ARG A 40 -0.745 -6.855 -1.788 1.00 0.00 H new ATOM 0 HA ARG A 40 0.202 -5.510 -4.187 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -1.055 -6.834 -5.731 1.00 0.00 H new ATOM 0 HB3 ARG A 40 0.019 -7.911 -4.860 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -2.519 -7.735 -3.466 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -2.798 -8.117 -5.153 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -0.566 -9.620 -3.886 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -2.151 -9.960 -3.221 1.00 0.00 H new ATOM 0 HE ARG A 40 -2.597 -10.122 -5.936 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -0.233 -11.563 -3.737 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -0.058 -13.031 -4.704 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -2.363 -12.010 -7.169 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -1.259 -13.282 -6.638 1.00 0.00 H new ATOM 650 N TYR A 41 -2.199 -4.521 -4.422 1.00 0.00 N ATOM 651 CA TYR A 41 -3.381 -3.695 -4.241 1.00 0.00 C ATOM 652 C TYR A 41 -4.246 -3.656 -5.487 1.00 0.00 C ATOM 653 O TYR A 41 -3.769 -3.845 -6.606 1.00 0.00 O ATOM 654 CB TYR A 41 -2.984 -2.271 -3.857 1.00 0.00 C ATOM 655 CG TYR A 41 -1.758 -1.768 -4.580 1.00 0.00 C ATOM 656 CD1 TYR A 41 -0.491 -2.004 -4.071 1.00 0.00 C ATOM 657 CD2 TYR A 41 -1.867 -1.057 -5.771 1.00 0.00 C ATOM 658 CE1 TYR A 41 0.635 -1.547 -4.723 1.00 0.00 C ATOM 659 CE2 TYR A 41 -0.743 -0.597 -6.430 1.00 0.00 C ATOM 660 CZ TYR A 41 0.504 -0.845 -5.902 1.00 0.00 C ATOM 661 OH TYR A 41 1.627 -0.389 -6.554 1.00 0.00 O ATOM 0 H TYR A 41 -1.725 -4.402 -5.317 1.00 0.00 H new ATOM 0 HA TYR A 41 -3.963 -4.146 -3.437 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -3.819 -1.602 -4.066 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -2.804 -2.230 -2.783 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -0.384 -2.555 -3.148 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -2.845 -0.862 -6.187 1.00 0.00 H new ATOM 0 HE1 TYR A 41 1.615 -1.738 -4.312 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -0.842 -0.046 -7.354 1.00 0.00 H new ATOM 0 HH TYR A 41 2.421 -0.827 -6.183 1.00 0.00 H new ATOM 671 N GLU A 42 -5.522 -3.377 -5.273 1.00 0.00 N ATOM 672 CA GLU A 42 -6.481 -3.270 -6.364 1.00 0.00 C ATOM 673 C GLU A 42 -7.081 -1.872 -6.365 1.00 0.00 C ATOM 674 O GLU A 42 -7.562 -1.400 -5.339 1.00 0.00 O ATOM 675 CB GLU A 42 -7.584 -4.323 -6.214 1.00 0.00 C ATOM 676 CG GLU A 42 -7.845 -5.112 -7.485 1.00 0.00 C ATOM 677 CD GLU A 42 -8.838 -6.239 -7.279 1.00 0.00 C ATOM 678 OE1 GLU A 42 -9.934 -5.973 -6.742 1.00 0.00 O ATOM 679 OE2 GLU A 42 -8.520 -7.388 -7.653 1.00 0.00 O ATOM 0 H GLU A 42 -5.921 -3.219 -4.347 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.971 -3.447 -7.311 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -7.310 -5.014 -5.417 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -8.506 -3.830 -5.906 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -8.220 -4.439 -8.256 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -6.905 -5.524 -7.852 1.00 0.00 H new ATOM 686 N VAL A 43 -7.029 -1.204 -7.508 1.00 0.00 N ATOM 687 CA VAL A 43 -7.546 0.156 -7.616 1.00 0.00 C ATOM 688 C VAL A 43 -8.908 0.198 -8.307 1.00 0.00 C ATOM 689 O VAL A 43 -9.090 -0.369 -9.385 1.00 0.00 O ATOM 690 CB VAL A 43 -6.547 1.062 -8.368 1.00 0.00 C ATOM 691 CG1 VAL A 43 -7.176 2.397 -8.739 1.00 0.00 C ATOM 692 CG2 VAL A 43 -5.294 1.272 -7.528 1.00 0.00 C ATOM 0 H VAL A 43 -6.636 -1.578 -8.372 1.00 0.00 H new ATOM 0 HA VAL A 43 -7.675 0.529 -6.600 1.00 0.00 H new ATOM 0 HB VAL A 43 -6.270 0.562 -9.296 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -6.445 3.009 -9.267 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -8.039 2.226 -9.383 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -7.495 2.913 -7.833 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -4.597 1.912 -8.068 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -5.564 1.745 -6.584 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -4.823 0.309 -7.330 1.00 0.00 H new ATOM 702 N ARG A 44 -9.855 0.881 -7.670 1.00 0.00 N ATOM 703 CA ARG A 44 -11.204 1.016 -8.209 1.00 0.00 C ATOM 704 C ARG A 44 -11.707 2.448 -8.052 1.00 0.00 C ATOM 705 O ARG A 44 -12.422 2.763 -7.102 1.00 0.00 O ATOM 706 CB ARG A 44 -12.154 0.054 -7.496 1.00 0.00 C ATOM 707 CG ARG A 44 -13.243 -0.507 -8.395 1.00 0.00 C ATOM 708 CD ARG A 44 -13.525 -1.968 -8.087 1.00 0.00 C ATOM 709 NE ARG A 44 -14.481 -2.553 -9.023 1.00 0.00 N ATOM 710 CZ ARG A 44 -14.634 -3.862 -9.206 1.00 0.00 C ATOM 711 NH1 ARG A 44 -13.896 -4.726 -8.520 1.00 0.00 N ATOM 712 NH2 ARG A 44 -15.528 -4.309 -10.077 1.00 0.00 N ATOM 0 H ARG A 44 -9.712 1.351 -6.776 1.00 0.00 H new ATOM 0 HA ARG A 44 -11.174 0.771 -9.271 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -11.576 -0.772 -7.081 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -12.619 0.572 -6.657 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -14.156 0.075 -8.268 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -12.943 -0.406 -9.438 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -12.593 -2.532 -8.122 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -13.912 -2.056 -7.072 1.00 0.00 H new ATOM 0 HE ARG A 44 -15.066 -1.921 -9.569 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -13.207 -4.388 -7.848 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -14.018 -5.728 -8.665 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -16.098 -3.650 -10.607 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -15.646 -5.312 -10.218 1.00 0.00 H new ATOM 726 N GLY A 45 -11.326 3.315 -8.986 1.00 0.00 N ATOM 727 CA GLY A 45 -11.750 4.702 -8.922 1.00 0.00 C ATOM 728 C GLY A 45 -11.122 5.442 -7.756 1.00 0.00 C ATOM 729 O GLY A 45 -11.805 6.169 -7.036 1.00 0.00 O ATOM 0 H GLY A 45 -10.733 3.083 -9.783 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -11.486 5.204 -9.853 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -12.836 4.744 -8.834 1.00 0.00 H new ATOM 733 N ALA A 46 -9.815 5.244 -7.564 1.00 0.00 N ATOM 734 CA ALA A 46 -9.072 5.881 -6.474 1.00 0.00 C ATOM 735 C ALA A 46 -9.171 5.072 -5.181 1.00 0.00 C ATOM 736 O ALA A 46 -8.416 5.303 -4.238 1.00 0.00 O ATOM 737 CB ALA A 46 -9.541 7.311 -6.247 1.00 0.00 C ATOM 0 H ALA A 46 -9.245 4.641 -8.157 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.024 5.910 -6.773 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -8.970 7.756 -5.432 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -9.389 7.893 -7.156 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -10.600 7.310 -5.990 1.00 0.00 H new ATOM 743 N HIS A 47 -10.093 4.111 -5.147 1.00 0.00 N ATOM 744 CA HIS A 47 -10.266 3.263 -3.975 1.00 0.00 C ATOM 745 C HIS A 47 -9.449 1.992 -4.145 1.00 0.00 C ATOM 746 O HIS A 47 -9.577 1.303 -5.156 1.00 0.00 O ATOM 747 CB HIS A 47 -11.743 2.911 -3.787 1.00 0.00 C ATOM 748 CG HIS A 47 -12.351 3.501 -2.551 1.00 0.00 C ATOM 749 ND1 HIS A 47 -12.398 4.857 -2.305 1.00 0.00 N ATOM 750 CD2 HIS A 47 -12.946 2.907 -1.488 1.00 0.00 C ATOM 751 CE1 HIS A 47 -12.994 5.072 -1.144 1.00 0.00 C ATOM 752 NE2 HIS A 47 -13.335 3.906 -0.629 1.00 0.00 N ATOM 0 H HIS A 47 -10.729 3.903 -5.917 1.00 0.00 H new ATOM 0 HA HIS A 47 -9.922 3.802 -3.092 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -12.303 3.256 -4.656 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -11.847 1.827 -3.750 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -13.088 1.846 -1.343 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -13.171 6.038 -0.694 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -13.811 3.769 0.263 1.00 0.00 H new ATOM 761 N ILE A 48 -8.596 1.685 -3.176 1.00 0.00 N ATOM 762 CA ILE A 48 -7.765 0.494 -3.281 1.00 0.00 C ATOM 763 C ILE A 48 -7.575 -0.197 -1.936 1.00 0.00 C ATOM 764 O ILE A 48 -7.604 0.438 -0.883 1.00 0.00 O ATOM 765 CB ILE A 48 -6.380 0.817 -3.921 1.00 0.00 C ATOM 766 CG1 ILE A 48 -5.210 0.233 -3.107 1.00 0.00 C ATOM 767 CG2 ILE A 48 -6.199 2.319 -4.102 1.00 0.00 C ATOM 768 CD1 ILE A 48 -4.922 0.973 -1.815 1.00 0.00 C ATOM 0 H ILE A 48 -8.463 2.232 -2.325 1.00 0.00 H new ATOM 0 HA ILE A 48 -8.298 -0.195 -3.937 1.00 0.00 H new ATOM 0 HB ILE A 48 -6.368 0.340 -4.901 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -5.428 -0.809 -2.875 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -4.312 0.241 -3.725 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -5.225 2.517 -4.550 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -6.983 2.704 -4.754 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -6.259 2.812 -3.132 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -4.085 0.498 -1.303 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -4.670 2.010 -2.038 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -5.803 0.943 -1.174 1.00 0.00 H new ATOM 780 N ASN A 49 -7.353 -1.505 -1.997 1.00 0.00 N ATOM 781 CA ASN A 49 -7.127 -2.307 -0.805 1.00 0.00 C ATOM 782 C ASN A 49 -5.900 -3.192 -1.003 1.00 0.00 C ATOM 783 O ASN A 49 -5.575 -3.575 -2.125 1.00 0.00 O ATOM 784 CB ASN A 49 -8.349 -3.173 -0.481 1.00 0.00 C ATOM 785 CG ASN A 49 -9.647 -2.574 -0.988 1.00 0.00 C ATOM 786 OD1 ASN A 49 -10.471 -2.095 -0.208 1.00 0.00 O ATOM 787 ND2 ASN A 49 -9.839 -2.600 -2.302 1.00 0.00 N ATOM 0 H ASN A 49 -7.325 -2.034 -2.868 1.00 0.00 H new ATOM 0 HA ASN A 49 -6.958 -1.632 0.034 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -8.215 -4.161 -0.920 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -8.415 -3.310 0.598 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -10.695 -2.214 -2.700 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -9.130 -3.006 -2.913 1.00 0.00 H new ATOM 794 N TYR A 50 -5.227 -3.509 0.091 1.00 0.00 N ATOM 795 CA TYR A 50 -4.038 -4.342 0.055 1.00 0.00 C ATOM 796 C TYR A 50 -4.384 -5.765 0.454 1.00 0.00 C ATOM 797 O TYR A 50 -4.791 -6.008 1.585 1.00 0.00 O ATOM 798 CB TYR A 50 -2.992 -3.799 1.029 1.00 0.00 C ATOM 799 CG TYR A 50 -2.384 -2.473 0.624 1.00 0.00 C ATOM 800 CD1 TYR A 50 -1.696 -2.332 -0.574 1.00 0.00 C ATOM 801 CD2 TYR A 50 -2.496 -1.360 1.449 1.00 0.00 C ATOM 802 CE1 TYR A 50 -1.139 -1.120 -0.937 1.00 0.00 C ATOM 803 CE2 TYR A 50 -1.941 -0.146 1.093 1.00 0.00 C ATOM 804 CZ TYR A 50 -1.264 -0.032 -0.101 1.00 0.00 C ATOM 805 OH TYR A 50 -0.710 1.176 -0.460 1.00 0.00 O ATOM 0 H TYR A 50 -5.489 -3.197 1.026 1.00 0.00 H new ATOM 0 HA TYR A 50 -3.640 -4.332 -0.960 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -3.452 -3.688 2.011 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -2.194 -4.534 1.132 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -1.595 -3.182 -1.232 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -3.027 -1.446 2.386 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -0.608 -1.026 -1.873 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -2.037 0.708 1.747 1.00 0.00 H new ATOM 0 HH TYR A 50 -0.311 1.600 0.328 1.00 0.00 H new ATOM 815 N TRP A 51 -4.215 -6.705 -0.462 1.00 0.00 N ATOM 816 CA TRP A 51 -4.507 -8.098 -0.163 1.00 0.00 C ATOM 817 C TRP A 51 -3.209 -8.893 -0.074 1.00 0.00 C ATOM 818 O TRP A 51 -2.714 -9.413 -1.074 1.00 0.00 O ATOM 819 CB TRP A 51 -5.439 -8.699 -1.219 1.00 0.00 C ATOM 820 CG TRP A 51 -5.623 -10.181 -1.085 1.00 0.00 C ATOM 821 CD1 TRP A 51 -6.249 -10.840 -0.065 1.00 0.00 C ATOM 822 CD2 TRP A 51 -5.177 -11.189 -2.000 1.00 0.00 C ATOM 823 NE1 TRP A 51 -6.218 -12.195 -0.291 1.00 0.00 N ATOM 824 CE2 TRP A 51 -5.567 -12.434 -1.472 1.00 0.00 C ATOM 825 CE3 TRP A 51 -4.486 -11.157 -3.214 1.00 0.00 C ATOM 826 CZ2 TRP A 51 -5.288 -13.636 -2.117 1.00 0.00 C ATOM 827 CZ3 TRP A 51 -4.210 -12.352 -3.854 1.00 0.00 C ATOM 828 CH2 TRP A 51 -4.610 -13.576 -3.305 1.00 0.00 C ATOM 0 H TRP A 51 -3.880 -6.532 -1.410 1.00 0.00 H new ATOM 0 HA TRP A 51 -5.017 -8.149 0.799 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -6.412 -8.213 -1.151 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -5.041 -8.479 -2.210 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -6.702 -10.366 0.793 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -6.615 -12.907 0.321 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -4.173 -10.217 -3.645 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -5.595 -14.582 -1.695 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -3.677 -12.340 -4.793 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -4.379 -14.492 -3.829 1.00 0.00 H new ATOM 839 N ASP A 52 -2.655 -8.965 1.130 1.00 0.00 N ATOM 840 CA ASP A 52 -1.401 -9.678 1.355 1.00 0.00 C ATOM 841 C ASP A 52 -1.563 -11.178 1.161 1.00 0.00 C ATOM 842 O ASP A 52 -2.666 -11.717 1.254 1.00 0.00 O ATOM 843 CB ASP A 52 -0.872 -9.406 2.763 1.00 0.00 C ATOM 844 CG ASP A 52 -0.096 -8.106 2.846 1.00 0.00 C ATOM 845 OD1 ASP A 52 -0.725 -7.032 2.760 1.00 0.00 O ATOM 846 OD2 ASP A 52 1.143 -8.166 2.994 1.00 0.00 O ATOM 0 H ASP A 52 -3.053 -8.539 1.967 1.00 0.00 H new ATOM 0 HA ASP A 52 -0.687 -9.310 0.618 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -1.707 -9.373 3.462 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -0.230 -10.230 3.073 1.00 0.00 H new ATOM 851 N ASP A 53 -0.445 -11.844 0.902 1.00 0.00 N ATOM 852 CA ASP A 53 -0.437 -13.287 0.703 1.00 0.00 C ATOM 853 C ASP A 53 -0.344 -14.021 2.042 1.00 0.00 C ATOM 854 O ASP A 53 -0.550 -15.233 2.105 1.00 0.00 O ATOM 855 CB ASP A 53 0.732 -13.692 -0.196 1.00 0.00 C ATOM 856 CG ASP A 53 0.406 -13.544 -1.669 1.00 0.00 C ATOM 857 OD1 ASP A 53 -0.733 -13.876 -2.062 1.00 0.00 O ATOM 858 OD2 ASP A 53 1.288 -13.095 -2.431 1.00 0.00 O ATOM 0 H ASP A 53 0.472 -11.405 0.825 1.00 0.00 H new ATOM 0 HA ASP A 53 -1.372 -13.568 0.219 1.00 0.00 H new ATOM 0 HB2 ASP A 53 1.601 -13.079 0.044 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.004 -14.727 0.011 1.00 0.00 H new ATOM 863 N THR A 54 -0.025 -13.286 3.109 1.00 0.00 N ATOM 864 CA THR A 54 0.099 -13.886 4.435 1.00 0.00 C ATOM 865 C THR A 54 -1.221 -13.847 5.199 1.00 0.00 C ATOM 866 O THR A 54 -1.240 -13.892 6.430 1.00 0.00 O ATOM 867 CB THR A 54 1.196 -13.187 5.239 1.00 0.00 C ATOM 868 OG1 THR A 54 1.424 -13.860 6.464 1.00 0.00 O ATOM 869 CG2 THR A 54 0.880 -11.744 5.561 1.00 0.00 C ATOM 0 H THR A 54 0.151 -12.282 3.080 1.00 0.00 H new ATOM 0 HA THR A 54 0.372 -14.932 4.296 1.00 0.00 H new ATOM 0 HB THR A 54 2.080 -13.213 4.601 1.00 0.00 H new ATOM 0 HG1 THR A 54 0.566 -14.043 6.901 1.00 0.00 H new ATOM 0 HG21 THR A 54 1.701 -11.311 6.132 1.00 0.00 H new ATOM 0 HG22 THR A 54 0.748 -11.185 4.635 1.00 0.00 H new ATOM 0 HG23 THR A 54 -0.037 -11.695 6.148 1.00 0.00 H new ATOM 877 N GLY A 55 -2.323 -13.797 4.461 1.00 0.00 N ATOM 878 CA GLY A 55 -3.638 -13.791 5.078 1.00 0.00 C ATOM 879 C GLY A 55 -4.055 -12.450 5.661 1.00 0.00 C ATOM 880 O GLY A 55 -4.876 -12.409 6.577 1.00 0.00 O ATOM 0 H GLY A 55 -2.330 -13.760 3.442 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -4.375 -14.095 4.335 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -3.657 -14.539 5.871 1.00 0.00 H new ATOM 884 N PHE A 56 -3.522 -11.348 5.135 1.00 0.00 N ATOM 885 CA PHE A 56 -3.891 -10.033 5.628 1.00 0.00 C ATOM 886 C PHE A 56 -4.497 -9.212 4.504 1.00 0.00 C ATOM 887 O PHE A 56 -4.328 -9.526 3.326 1.00 0.00 O ATOM 888 CB PHE A 56 -2.667 -9.315 6.227 1.00 0.00 C ATOM 889 CG PHE A 56 -2.644 -7.817 6.023 1.00 0.00 C ATOM 890 CD1 PHE A 56 -2.572 -7.271 4.749 1.00 0.00 C ATOM 891 CD2 PHE A 56 -2.707 -6.958 7.109 1.00 0.00 C ATOM 892 CE1 PHE A 56 -2.563 -5.899 4.562 1.00 0.00 C ATOM 893 CE2 PHE A 56 -2.695 -5.587 6.930 1.00 0.00 C ATOM 894 CZ PHE A 56 -2.625 -5.058 5.656 1.00 0.00 C ATOM 0 H PHE A 56 -2.841 -11.344 4.376 1.00 0.00 H new ATOM 0 HA PHE A 56 -4.633 -10.149 6.418 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -2.630 -9.522 7.297 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -1.764 -9.740 5.789 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -2.522 -7.926 3.891 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -2.766 -7.365 8.108 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -2.508 -5.488 3.565 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -2.740 -4.930 7.786 1.00 0.00 H new ATOM 0 HZ PHE A 56 -2.619 -3.987 5.515 1.00 0.00 H new ATOM 904 N THR A 57 -5.170 -8.139 4.877 1.00 0.00 N ATOM 905 CA THR A 57 -5.768 -7.244 3.900 1.00 0.00 C ATOM 906 C THR A 57 -6.060 -5.883 4.515 1.00 0.00 C ATOM 907 O THR A 57 -6.459 -5.786 5.675 1.00 0.00 O ATOM 908 CB THR A 57 -7.044 -7.834 3.284 1.00 0.00 C ATOM 909 OG1 THR A 57 -8.190 -7.105 3.688 1.00 0.00 O ATOM 910 CG2 THR A 57 -7.289 -9.291 3.625 1.00 0.00 C ATOM 0 H THR A 57 -5.317 -7.865 5.848 1.00 0.00 H new ATOM 0 HA THR A 57 -5.041 -7.118 3.098 1.00 0.00 H new ATOM 0 HB THR A 57 -6.880 -7.761 2.209 1.00 0.00 H new ATOM 0 HG1 THR A 57 -8.989 -7.500 3.281 1.00 0.00 H new ATOM 0 HG21 THR A 57 -8.211 -9.626 3.149 1.00 0.00 H new ATOM 0 HG22 THR A 57 -6.455 -9.894 3.266 1.00 0.00 H new ATOM 0 HG23 THR A 57 -7.378 -9.402 4.706 1.00 0.00 H new ATOM 918 N ALA A 58 -5.856 -4.834 3.729 1.00 0.00 N ATOM 919 CA ALA A 58 -6.099 -3.473 4.205 1.00 0.00 C ATOM 920 C ALA A 58 -6.693 -2.591 3.111 1.00 0.00 C ATOM 921 O ALA A 58 -6.096 -2.410 2.056 1.00 0.00 O ATOM 922 CB ALA A 58 -4.808 -2.862 4.729 1.00 0.00 C ATOM 0 H ALA A 58 -5.525 -4.895 2.766 1.00 0.00 H new ATOM 0 HA ALA A 58 -6.825 -3.530 5.016 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -5.002 -1.849 5.081 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -4.428 -3.466 5.553 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -4.068 -2.833 3.929 1.00 0.00 H new ATOM 928 N ASP A 59 -7.872 -2.036 3.372 1.00 0.00 N ATOM 929 CA ASP A 59 -8.540 -1.175 2.400 1.00 0.00 C ATOM 930 C ASP A 59 -8.146 0.287 2.588 1.00 0.00 C ATOM 931 O ASP A 59 -7.808 0.716 3.691 1.00 0.00 O ATOM 932 CB ASP A 59 -10.058 -1.322 2.518 1.00 0.00 C ATOM 933 CG ASP A 59 -10.564 -1.003 3.911 1.00 0.00 C ATOM 934 OD1 ASP A 59 -9.755 -1.043 4.860 1.00 0.00 O ATOM 935 OD2 ASP A 59 -11.771 -0.713 4.051 1.00 0.00 O ATOM 0 H ASP A 59 -8.384 -2.166 4.245 1.00 0.00 H new ATOM 0 HA ASP A 59 -8.222 -1.488 1.405 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -10.541 -0.661 1.799 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -10.343 -2.341 2.256 1.00 0.00 H new ATOM 940 N GLY A 60 -8.195 1.047 1.497 1.00 0.00 N ATOM 941 CA GLY A 60 -7.846 2.454 1.549 1.00 0.00 C ATOM 942 C GLY A 60 -8.542 3.253 0.465 1.00 0.00 C ATOM 943 O GLY A 60 -9.466 2.758 -0.181 1.00 0.00 O ATOM 0 H GLY A 60 -8.472 0.710 0.575 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -8.114 2.858 2.525 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -6.767 2.564 1.444 1.00 0.00 H new ATOM 947 N ASP A 61 -8.102 4.490 0.260 1.00 0.00 N ATOM 948 CA ASP A 61 -8.699 5.348 -0.756 1.00 0.00 C ATOM 949 C ASP A 61 -7.847 6.590 -0.999 1.00 0.00 C ATOM 950 O ASP A 61 -7.439 7.266 -0.058 1.00 0.00 O ATOM 951 CB ASP A 61 -10.110 5.760 -0.337 1.00 0.00 C ATOM 952 CG ASP A 61 -10.122 6.556 0.953 1.00 0.00 C ATOM 953 OD1 ASP A 61 -10.220 5.935 2.032 1.00 0.00 O ATOM 954 OD2 ASP A 61 -10.031 7.800 0.884 1.00 0.00 O ATOM 0 H ASP A 61 -7.338 4.919 0.781 1.00 0.00 H new ATOM 0 HA ASP A 61 -8.750 4.781 -1.686 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -10.563 6.354 -1.131 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -10.725 4.868 -0.216 1.00 0.00 H new ATOM 959 N PHE A 62 -7.591 6.887 -2.268 1.00 0.00 N ATOM 960 CA PHE A 62 -6.797 8.053 -2.630 1.00 0.00 C ATOM 961 C PHE A 62 -7.622 9.326 -2.508 1.00 0.00 C ATOM 962 O PHE A 62 -8.539 9.565 -3.294 1.00 0.00 O ATOM 963 CB PHE A 62 -6.260 7.930 -4.058 1.00 0.00 C ATOM 964 CG PHE A 62 -5.422 6.704 -4.316 1.00 0.00 C ATOM 965 CD1 PHE A 62 -5.078 5.834 -3.287 1.00 0.00 C ATOM 966 CD2 PHE A 62 -4.973 6.427 -5.596 1.00 0.00 C ATOM 967 CE1 PHE A 62 -4.305 4.716 -3.540 1.00 0.00 C ATOM 968 CE2 PHE A 62 -4.200 5.313 -5.851 1.00 0.00 C ATOM 969 CZ PHE A 62 -3.864 4.457 -4.821 1.00 0.00 C ATOM 0 H PHE A 62 -7.921 6.337 -3.061 1.00 0.00 H new ATOM 0 HA PHE A 62 -5.955 8.104 -1.939 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -7.103 7.928 -4.749 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -5.664 8.814 -4.284 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -5.418 6.033 -2.281 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -5.232 7.092 -6.406 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -4.046 4.045 -2.734 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -3.858 5.111 -6.855 1.00 0.00 H new ATOM 0 HZ PHE A 62 -3.257 3.586 -5.018 1.00 0.00 H new ATOM 979 N VAL A 63 -7.285 10.139 -1.521 1.00 0.00 N ATOM 980 CA VAL A 63 -7.988 11.396 -1.289 1.00 0.00 C ATOM 981 C VAL A 63 -7.424 12.516 -2.159 1.00 0.00 C ATOM 982 O VAL A 63 -8.040 13.573 -2.300 1.00 0.00 O ATOM 983 CB VAL A 63 -7.914 11.826 0.188 1.00 0.00 C ATOM 984 CG1 VAL A 63 -8.879 11.006 1.031 1.00 0.00 C ATOM 985 CG2 VAL A 63 -6.489 11.701 0.714 1.00 0.00 C ATOM 0 H VAL A 63 -6.527 9.953 -0.864 1.00 0.00 H new ATOM 0 HA VAL A 63 -9.030 11.221 -1.555 1.00 0.00 H new ATOM 0 HB VAL A 63 -8.208 12.873 0.258 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -8.813 11.323 2.072 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -9.896 11.156 0.669 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -8.620 9.950 0.957 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -6.458 12.010 1.759 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -6.160 10.665 0.632 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -5.828 12.339 0.128 1.00 0.00 H new ATOM 995 N SER A 64 -6.248 12.285 -2.741 1.00 0.00 N ATOM 996 CA SER A 64 -5.612 13.281 -3.592 1.00 0.00 C ATOM 997 C SER A 64 -4.653 12.622 -4.576 1.00 0.00 C ATOM 998 O SER A 64 -4.467 11.405 -4.557 1.00 0.00 O ATOM 999 CB SER A 64 -4.863 14.309 -2.738 1.00 0.00 C ATOM 1000 OG SER A 64 -5.139 15.630 -3.173 1.00 0.00 O ATOM 0 H SER A 64 -5.720 11.418 -2.637 1.00 0.00 H new ATOM 0 HA SER A 64 -6.391 13.790 -4.159 1.00 0.00 H new ATOM 0 HB2 SER A 64 -5.152 14.199 -1.693 1.00 0.00 H new ATOM 0 HB3 SER A 64 -3.791 14.121 -2.793 1.00 0.00 H new ATOM 0 HG SER A 64 -4.651 16.268 -2.612 1.00 0.00 H new ATOM 1006 N ALA A 65 -4.044 13.432 -5.436 1.00 0.00 N ATOM 1007 CA ALA A 65 -3.104 12.926 -6.427 1.00 0.00 C ATOM 1008 C ALA A 65 -1.796 12.490 -5.774 1.00 0.00 C ATOM 1009 O ALA A 65 -1.101 11.612 -6.283 1.00 0.00 O ATOM 1010 CB ALA A 65 -2.840 13.984 -7.488 1.00 0.00 C ATOM 0 H ALA A 65 -4.185 14.442 -5.466 1.00 0.00 H new ATOM 0 HA ALA A 65 -3.549 12.052 -6.902 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -2.136 13.594 -8.223 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -3.775 14.244 -7.984 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -2.419 14.873 -7.018 1.00 0.00 H new ATOM 1016 N ASN A 66 -1.463 13.112 -4.646 1.00 0.00 N ATOM 1017 CA ASN A 66 -0.235 12.786 -3.930 1.00 0.00 C ATOM 1018 C ASN A 66 -0.523 12.319 -2.502 1.00 0.00 C ATOM 1019 O ASN A 66 0.395 11.955 -1.770 1.00 0.00 O ATOM 1020 CB ASN A 66 0.699 14.000 -3.900 1.00 0.00 C ATOM 1021 CG ASN A 66 1.790 13.936 -4.959 1.00 0.00 C ATOM 1022 OD1 ASN A 66 2.886 14.458 -4.760 1.00 0.00 O ATOM 1023 ND2 ASN A 66 1.499 13.295 -6.090 1.00 0.00 N ATOM 0 H ASN A 66 -2.025 13.843 -4.210 1.00 0.00 H new ATOM 0 HA ASN A 66 0.249 11.967 -4.462 1.00 0.00 H new ATOM 0 HB2 ASN A 66 0.112 14.907 -4.045 1.00 0.00 H new ATOM 0 HB3 ASN A 66 1.160 14.073 -2.915 1.00 0.00 H new ATOM 0 HD21 ASN A 66 2.197 13.224 -6.830 1.00 0.00 H new ATOM 0 HD22 ASN A 66 0.578 12.875 -6.216 1.00 0.00 H new ATOM 1030 N GLU A 67 -1.797 12.327 -2.106 1.00 0.00 N ATOM 1031 CA GLU A 67 -2.176 11.897 -0.764 1.00 0.00 C ATOM 1032 C GLU A 67 -2.863 10.537 -0.807 1.00 0.00 C ATOM 1033 O GLU A 67 -3.629 10.245 -1.724 1.00 0.00 O ATOM 1034 CB GLU A 67 -3.095 12.933 -0.110 1.00 0.00 C ATOM 1035 CG GLU A 67 -2.648 13.346 1.283 1.00 0.00 C ATOM 1036 CD GLU A 67 -3.461 14.500 1.836 1.00 0.00 C ATOM 1037 OE1 GLU A 67 -3.394 15.604 1.258 1.00 0.00 O ATOM 1038 OE2 GLU A 67 -4.164 14.299 2.850 1.00 0.00 O ATOM 0 H GLU A 67 -2.577 12.625 -2.692 1.00 0.00 H new ATOM 0 HA GLU A 67 -1.269 11.807 -0.167 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -3.142 13.818 -0.745 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -4.105 12.527 -0.053 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -2.731 12.492 1.956 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -1.596 13.628 1.254 1.00 0.00 H new ATOM 1045 N LEU A 68 -2.575 9.706 0.187 1.00 0.00 N ATOM 1046 CA LEU A 68 -3.153 8.372 0.266 1.00 0.00 C ATOM 1047 C LEU A 68 -3.783 8.143 1.633 1.00 0.00 C ATOM 1048 O LEU A 68 -3.257 8.590 2.653 1.00 0.00 O ATOM 1049 CB LEU A 68 -2.059 7.327 -0.029 1.00 0.00 C ATOM 1050 CG LEU A 68 -2.264 5.901 0.525 1.00 0.00 C ATOM 1051 CD1 LEU A 68 -2.421 5.877 2.039 1.00 0.00 C ATOM 1052 CD2 LEU A 68 -3.454 5.244 -0.144 1.00 0.00 C ATOM 0 H LEU A 68 -1.941 9.935 0.953 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.943 8.272 -0.478 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -1.947 7.254 -1.111 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -1.116 7.708 0.364 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.362 5.335 0.293 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.562 4.849 2.374 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -1.526 6.291 2.504 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.287 6.474 2.324 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.587 4.239 0.256 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.351 5.833 0.049 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -3.281 5.187 -1.219 1.00 0.00 H new ATOM 1064 N HIS A 69 -4.904 7.435 1.652 1.00 0.00 N ATOM 1065 CA HIS A 69 -5.589 7.132 2.902 1.00 0.00 C ATOM 1066 C HIS A 69 -5.832 5.634 3.036 1.00 0.00 C ATOM 1067 O HIS A 69 -6.682 5.071 2.348 1.00 0.00 O ATOM 1068 CB HIS A 69 -6.918 7.879 2.990 1.00 0.00 C ATOM 1069 CG HIS A 69 -6.809 9.224 3.640 1.00 0.00 C ATOM 1070 ND1 HIS A 69 -5.626 9.927 3.724 1.00 0.00 N ATOM 1071 CD2 HIS A 69 -7.746 9.994 4.242 1.00 0.00 C ATOM 1072 CE1 HIS A 69 -5.841 11.072 4.348 1.00 0.00 C ATOM 1073 NE2 HIS A 69 -7.118 11.136 4.672 1.00 0.00 N ATOM 0 H HIS A 69 -5.358 7.060 0.819 1.00 0.00 H new ATOM 0 HA HIS A 69 -4.947 7.460 3.719 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -7.323 8.002 1.986 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -7.630 7.272 3.549 1.00 0.00 H new ATOM 0 HD1 HIS A 69 -4.726 9.613 3.361 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -8.792 9.754 4.361 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -5.098 11.827 4.557 1.00 0.00 H new ATOM 1082 N HIS A 70 -5.091 4.993 3.932 1.00 0.00 N ATOM 1083 CA HIS A 70 -5.246 3.561 4.155 1.00 0.00 C ATOM 1084 C HIS A 70 -5.082 3.226 5.632 1.00 0.00 C ATOM 1085 O HIS A 70 -4.191 3.750 6.302 1.00 0.00 O ATOM 1086 CB HIS A 70 -4.262 2.761 3.277 1.00 0.00 C ATOM 1087 CG HIS A 70 -2.956 2.399 3.932 1.00 0.00 C ATOM 1088 ND1 HIS A 70 -1.733 2.637 3.340 1.00 0.00 N ATOM 1089 CD2 HIS A 70 -2.683 1.792 5.114 1.00 0.00 C ATOM 1090 CE1 HIS A 70 -0.769 2.194 4.127 1.00 0.00 C ATOM 1091 NE2 HIS A 70 -1.319 1.677 5.208 1.00 0.00 N ATOM 0 H HIS A 70 -4.381 5.439 4.513 1.00 0.00 H new ATOM 0 HA HIS A 70 -6.255 3.272 3.862 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -4.754 1.843 2.955 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -4.050 3.341 2.379 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -3.405 1.461 5.845 1.00 0.00 H new ATOM 0 HE1 HIS A 70 0.290 2.246 3.920 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -0.812 1.259 5.988 1.00 0.00 H new ATOM 1100 N GLY A 71 -5.952 2.357 6.138 1.00 0.00 N ATOM 1101 CA GLY A 71 -5.888 1.978 7.537 1.00 0.00 C ATOM 1102 C GLY A 71 -5.972 3.180 8.459 1.00 0.00 C ATOM 1103 O GLY A 71 -5.528 3.125 9.606 1.00 0.00 O ATOM 0 H GLY A 71 -6.698 1.910 5.605 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -6.703 1.291 7.763 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -4.958 1.442 7.725 1.00 0.00 H new ATOM 1107 N GLY A 72 -6.541 4.269 7.952 1.00 0.00 N ATOM 1108 CA GLY A 72 -6.670 5.478 8.744 1.00 0.00 C ATOM 1109 C GLY A 72 -5.373 6.260 8.819 1.00 0.00 C ATOM 1110 O GLY A 72 -5.147 7.007 9.771 1.00 0.00 O ATOM 0 H GLY A 72 -6.915 4.336 7.006 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -7.448 6.109 8.314 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -6.992 5.216 9.752 1.00 0.00 H new ATOM 1114 N MET A 73 -4.514 6.083 7.818 1.00 0.00 N ATOM 1115 CA MET A 73 -3.234 6.774 7.783 1.00 0.00 C ATOM 1116 C MET A 73 -3.155 7.718 6.590 1.00 0.00 C ATOM 1117 O MET A 73 -3.949 7.625 5.656 1.00 0.00 O ATOM 1118 CB MET A 73 -2.099 5.755 7.708 1.00 0.00 C ATOM 1119 CG MET A 73 -1.419 5.503 9.044 1.00 0.00 C ATOM 1120 SD MET A 73 -2.048 4.032 9.876 1.00 0.00 S ATOM 1121 CE MET A 73 -2.276 4.654 11.540 1.00 0.00 C ATOM 0 H MET A 73 -4.684 5.467 7.023 1.00 0.00 H new ATOM 0 HA MET A 73 -3.139 7.363 8.695 1.00 0.00 H new ATOM 0 HB2 MET A 73 -2.492 4.813 7.326 1.00 0.00 H new ATOM 0 HB3 MET A 73 -1.355 6.104 6.991 1.00 0.00 H new ATOM 0 HG2 MET A 73 -0.346 5.396 8.887 1.00 0.00 H new ATOM 0 HG3 MET A 73 -1.562 6.370 9.689 1.00 0.00 H new ATOM 0 HE1 MET A 73 -2.662 3.858 12.176 1.00 0.00 H new ATOM 0 HE2 MET A 73 -1.320 5.001 11.933 1.00 0.00 H new ATOM 0 HE3 MET A 73 -2.985 5.482 11.525 1.00 0.00 H new ATOM 1131 N THR A 74 -2.178 8.617 6.622 1.00 0.00 N ATOM 1132 CA THR A 74 -1.977 9.566 5.536 1.00 0.00 C ATOM 1133 C THR A 74 -0.612 9.352 4.899 1.00 0.00 C ATOM 1134 O THR A 74 0.419 9.668 5.492 1.00 0.00 O ATOM 1135 CB THR A 74 -2.102 11.006 6.038 1.00 0.00 C ATOM 1136 OG1 THR A 74 -3.259 11.160 6.837 1.00 0.00 O ATOM 1137 CG2 THR A 74 -2.175 12.023 4.918 1.00 0.00 C ATOM 0 H THR A 74 -1.512 8.708 7.390 1.00 0.00 H new ATOM 0 HA THR A 74 -2.751 9.396 4.787 1.00 0.00 H new ATOM 0 HB THR A 74 -1.198 11.191 6.618 1.00 0.00 H new ATOM 0 HG1 THR A 74 -3.320 12.087 7.149 1.00 0.00 H new ATOM 0 HG21 THR A 74 -2.263 13.024 5.341 1.00 0.00 H new ATOM 0 HG22 THR A 74 -1.271 11.963 4.312 1.00 0.00 H new ATOM 0 HG23 THR A 74 -3.044 11.815 4.294 1.00 0.00 H new ATOM 1145 N PHE A 75 -0.615 8.799 3.695 1.00 0.00 N ATOM 1146 CA PHE A 75 0.620 8.521 2.977 1.00 0.00 C ATOM 1147 C PHE A 75 0.779 9.444 1.777 1.00 0.00 C ATOM 1148 O PHE A 75 -0.082 9.489 0.899 1.00 0.00 O ATOM 1149 CB PHE A 75 0.623 7.062 2.526 1.00 0.00 C ATOM 1150 CG PHE A 75 1.057 6.107 3.594 1.00 0.00 C ATOM 1151 CD1 PHE A 75 2.400 5.872 3.827 1.00 0.00 C ATOM 1152 CD2 PHE A 75 0.117 5.444 4.367 1.00 0.00 C ATOM 1153 CE1 PHE A 75 2.802 4.994 4.811 1.00 0.00 C ATOM 1154 CE2 PHE A 75 0.512 4.565 5.356 1.00 0.00 C ATOM 1155 CZ PHE A 75 1.856 4.340 5.579 1.00 0.00 C ATOM 0 H PHE A 75 -1.462 8.533 3.193 1.00 0.00 H new ATOM 0 HA PHE A 75 1.461 8.700 3.646 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -0.379 6.791 2.193 1.00 0.00 H new ATOM 0 HB3 PHE A 75 1.284 6.957 1.666 1.00 0.00 H new ATOM 0 HD1 PHE A 75 3.142 6.382 3.231 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -0.935 5.617 4.194 1.00 0.00 H new ATOM 0 HE1 PHE A 75 3.854 4.817 4.982 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -0.229 4.055 5.954 1.00 0.00 H new ATOM 0 HZ PHE A 75 2.168 3.654 6.352 1.00 0.00 H new ATOM 1165 N TYR A 76 1.888 10.170 1.737 1.00 0.00 N ATOM 1166 CA TYR A 76 2.157 11.076 0.635 1.00 0.00 C ATOM 1167 C TYR A 76 3.174 10.454 -0.300 1.00 0.00 C ATOM 1168 O TYR A 76 4.127 9.810 0.137 1.00 0.00 O ATOM 1169 CB TYR A 76 2.664 12.421 1.149 1.00 0.00 C ATOM 1170 CG TYR A 76 1.867 12.954 2.315 1.00 0.00 C ATOM 1171 CD1 TYR A 76 2.067 12.463 3.599 1.00 0.00 C ATOM 1172 CD2 TYR A 76 0.905 13.939 2.131 1.00 0.00 C ATOM 1173 CE1 TYR A 76 1.331 12.941 4.666 1.00 0.00 C ATOM 1174 CE2 TYR A 76 0.168 14.424 3.194 1.00 0.00 C ATOM 1175 CZ TYR A 76 0.384 13.921 4.459 1.00 0.00 C ATOM 1176 OH TYR A 76 -0.350 14.400 5.520 1.00 0.00 O ATOM 0 H TYR A 76 2.613 10.148 2.454 1.00 0.00 H new ATOM 0 HA TYR A 76 1.228 11.250 0.092 1.00 0.00 H new ATOM 0 HB2 TYR A 76 3.707 12.318 1.448 1.00 0.00 H new ATOM 0 HB3 TYR A 76 2.635 13.147 0.336 1.00 0.00 H new ATOM 0 HD1 TYR A 76 2.809 11.696 3.766 1.00 0.00 H new ATOM 0 HD2 TYR A 76 0.730 14.332 1.140 1.00 0.00 H new ATOM 0 HE1 TYR A 76 1.497 12.548 5.658 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -0.573 15.193 3.035 1.00 0.00 H new ATOM 0 HH TYR A 76 -0.973 15.087 5.203 1.00 0.00 H new ATOM 1186 N ARG A 77 2.963 10.638 -1.593 1.00 0.00 N ATOM 1187 CA ARG A 77 3.861 10.082 -2.591 1.00 0.00 C ATOM 1188 C ARG A 77 5.298 10.505 -2.325 1.00 0.00 C ATOM 1189 O ARG A 77 5.538 11.592 -1.807 1.00 0.00 O ATOM 1190 CB ARG A 77 3.426 10.515 -3.994 1.00 0.00 C ATOM 1191 CG ARG A 77 4.024 9.671 -5.109 1.00 0.00 C ATOM 1192 CD ARG A 77 3.028 8.647 -5.629 1.00 0.00 C ATOM 1193 NE ARG A 77 2.006 9.257 -6.475 1.00 0.00 N ATOM 1194 CZ ARG A 77 1.271 8.582 -7.356 1.00 0.00 C ATOM 1195 NH1 ARG A 77 1.440 7.275 -7.511 1.00 0.00 N ATOM 1196 NH2 ARG A 77 0.362 9.215 -8.085 1.00 0.00 N ATOM 0 H ARG A 77 2.179 11.167 -1.975 1.00 0.00 H new ATOM 0 HA ARG A 77 3.812 8.995 -2.528 1.00 0.00 H new ATOM 0 HB2 ARG A 77 2.339 10.468 -4.058 1.00 0.00 H new ATOM 0 HB3 ARG A 77 3.709 11.556 -4.147 1.00 0.00 H new ATOM 0 HG2 ARG A 77 4.342 10.319 -5.926 1.00 0.00 H new ATOM 0 HG3 ARG A 77 4.914 9.160 -4.742 1.00 0.00 H new ATOM 0 HD2 ARG A 77 3.558 7.881 -6.196 1.00 0.00 H new ATOM 0 HD3 ARG A 77 2.550 8.146 -4.787 1.00 0.00 H new ATOM 0 HE ARG A 77 1.846 10.260 -6.386 1.00 0.00 H new ATOM 0 HH11 ARG A 77 2.137 6.781 -6.953 1.00 0.00 H new ATOM 0 HH12 ARG A 77 0.873 6.764 -8.188 1.00 0.00 H new ATOM 0 HH21 ARG A 77 0.226 10.219 -7.971 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -0.201 8.698 -8.760 1.00 0.00 H new ATOM 1210 N GLU A 78 6.232 9.617 -2.686 1.00 0.00 N ATOM 1211 CA GLU A 78 7.677 9.819 -2.511 1.00 0.00 C ATOM 1212 C GLU A 78 7.998 11.043 -1.659 1.00 0.00 C ATOM 1213 O GLU A 78 8.533 10.920 -0.556 1.00 0.00 O ATOM 1214 CB GLU A 78 8.356 9.934 -3.878 1.00 0.00 C ATOM 1215 CG GLU A 78 7.684 9.120 -4.973 1.00 0.00 C ATOM 1216 CD GLU A 78 8.676 8.552 -5.969 1.00 0.00 C ATOM 1217 OE1 GLU A 78 9.133 9.310 -6.850 1.00 0.00 O ATOM 1218 OE2 GLU A 78 8.998 7.349 -5.867 1.00 0.00 O ATOM 0 H GLU A 78 6.001 8.721 -3.116 1.00 0.00 H new ATOM 0 HA GLU A 78 8.064 8.950 -1.978 1.00 0.00 H new ATOM 0 HB2 GLU A 78 8.373 10.982 -4.177 1.00 0.00 H new ATOM 0 HB3 GLU A 78 9.393 9.612 -3.785 1.00 0.00 H new ATOM 0 HG2 GLU A 78 7.121 8.304 -4.520 1.00 0.00 H new ATOM 0 HG3 GLU A 78 6.966 9.749 -5.499 1.00 0.00 H new ATOM 1225 N LYS A 79 7.650 12.215 -2.178 1.00 0.00 N ATOM 1226 CA LYS A 79 7.875 13.483 -1.479 1.00 0.00 C ATOM 1227 C LYS A 79 9.212 13.496 -0.740 1.00 0.00 C ATOM 1228 O LYS A 79 9.355 14.293 0.211 1.00 0.00 O ATOM 1229 CB LYS A 79 6.724 13.771 -0.501 1.00 0.00 C ATOM 1230 CG LYS A 79 6.528 12.710 0.578 1.00 0.00 C ATOM 1231 CD LYS A 79 7.574 12.829 1.675 1.00 0.00 C ATOM 1232 CE LYS A 79 7.049 12.311 3.004 1.00 0.00 C ATOM 1233 NZ LYS A 79 7.671 13.014 4.160 1.00 0.00 N ATOM 1234 OXT LYS A 79 10.108 12.714 -1.124 1.00 0.00 O ATOM 0 H LYS A 79 7.206 12.317 -3.090 1.00 0.00 H new ATOM 0 HA LYS A 79 7.907 14.269 -2.234 1.00 0.00 H new ATOM 0 HB2 LYS A 79 6.906 14.732 -0.019 1.00 0.00 H new ATOM 0 HB3 LYS A 79 5.798 13.869 -1.068 1.00 0.00 H new ATOM 0 HG2 LYS A 79 5.533 12.810 1.011 1.00 0.00 H new ATOM 0 HG3 LYS A 79 6.582 11.718 0.129 1.00 0.00 H new ATOM 0 HD2 LYS A 79 8.465 12.269 1.392 1.00 0.00 H new ATOM 0 HD3 LYS A 79 7.873 13.872 1.782 1.00 0.00 H new ATOM 0 HE2 LYS A 79 5.967 12.438 3.041 1.00 0.00 H new ATOM 0 HE3 LYS A 79 7.247 11.242 3.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 7.286 12.631 5.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 8.701 12.872 4.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 7.461 14.031 4.102 1.00 0.00 H new TER 1248 LYS A 79