USER MOD reduce.3.24.130724 H: found=0, std=0, add=857, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 857 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 64 GLN : amide:sc= -0.142 K(o=-0.036,f=-0.89) USER MOD Set 1.2: A 93 SER OG : rot -161:sc= 0.105 USER MOD Set 2.1: A 27 GLN : amide:sc= -1.27 K(o=-1.3,f=-3.9!) USER MOD Set 2.2: A 63 TYR OH : rot 150:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -157:sc= -0.0363 (180deg=-0.272) USER MOD Single : A 4 TYR OH : rot 165:sc= -0.63 USER MOD Single : A 7 ASN :FLIP amide:sc= -5.38! C(o=-6.5!,f=-5.4!) USER MOD Single : A 11 ASN : amide:sc= -0.0671 K(o=-0.067,f=-2.1!) USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 GLN : amide:sc= -0.324 X(o=-0.32,f=-0.056) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= -0.128 K(o=-0.13,f=-2.3!) USER MOD Single : A 33 TYR OH : rot -144:sc= -0.148 USER MOD Single : A 39 LYS NZ :NH3+ 139:sc= -0.234 (180deg=-1.46!) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 155:sc= 0 (180deg=-0.686) USER MOD Single : A 57 GLN : amide:sc= -0.836 K(o=-0.84,f=-4.3!) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 ASN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 84 ASN : amide:sc= -1.2 K(o=-1.2,f=-1.7) USER MOD Single : A 89 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 100 ASN : amide:sc= -0.571 K(o=-0.57,f=-2.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.044 -12.308 3.776 1.00 0.00 N ATOM 2 CA MET A 1 -7.953 -13.315 3.917 1.00 0.00 C ATOM 3 C MET A 1 -6.610 -12.709 3.497 1.00 0.00 C ATOM 4 O MET A 1 -5.569 -13.076 4.003 1.00 0.00 O ATOM 5 CB MET A 1 -8.344 -14.456 2.977 1.00 0.00 C ATOM 6 CG MET A 1 -8.208 -15.791 3.710 1.00 0.00 C ATOM 7 SD MET A 1 -9.790 -16.670 3.659 1.00 0.00 S ATOM 8 CE MET A 1 -9.348 -18.005 4.797 1.00 0.00 C ATOM 0 H1 MET A 1 -9.836 -12.565 4.399 1.00 0.00 H new ATOM 0 H2 MET A 1 -8.686 -11.368 4.041 1.00 0.00 H new ATOM 0 H3 MET A 1 -9.372 -12.287 2.789 1.00 0.00 H new ATOM 0 HA MET A 1 -7.837 -13.655 4.946 1.00 0.00 H new ATOM 0 HB2 MET A 1 -9.369 -14.322 2.632 1.00 0.00 H new ATOM 0 HB3 MET A 1 -7.706 -14.448 2.093 1.00 0.00 H new ATOM 0 HG2 MET A 1 -7.429 -16.395 3.246 1.00 0.00 H new ATOM 0 HG3 MET A 1 -7.907 -15.622 4.744 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.196 -18.679 4.914 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.498 -18.557 4.397 1.00 0.00 H new ATOM 0 HE3 MET A 1 -9.083 -17.584 5.767 1.00 0.00 H new ATOM 20 N ARG A 2 -6.628 -11.783 2.577 1.00 0.00 N ATOM 21 CA ARG A 2 -5.353 -11.154 2.126 1.00 0.00 C ATOM 22 C ARG A 2 -5.322 -9.676 2.528 1.00 0.00 C ATOM 23 O ARG A 2 -6.287 -9.143 3.039 1.00 0.00 O ATOM 24 CB ARG A 2 -5.359 -11.299 0.605 1.00 0.00 C ATOM 25 CG ARG A 2 -4.353 -12.376 0.190 1.00 0.00 C ATOM 26 CD ARG A 2 -4.916 -13.175 -0.988 1.00 0.00 C ATOM 27 NE ARG A 2 -3.723 -13.586 -1.778 1.00 0.00 N ATOM 28 CZ ARG A 2 -3.172 -14.750 -1.568 1.00 0.00 C ATOM 29 NH1 ARG A 2 -2.817 -15.097 -0.361 1.00 0.00 N ATOM 30 NH2 ARG A 2 -2.977 -15.568 -2.565 1.00 0.00 N ATOM 0 H ARG A 2 -7.470 -11.435 2.118 1.00 0.00 H new ATOM 0 HA ARG A 2 -4.477 -11.622 2.576 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -6.357 -11.566 0.259 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -5.103 -10.348 0.138 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -3.406 -11.915 -0.089 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -4.149 -13.041 1.029 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -5.480 -14.042 -0.644 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -5.597 -12.570 -1.587 1.00 0.00 H new ATOM 0 HE ARG A 2 -3.337 -12.958 -2.483 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -2.970 -14.458 0.419 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -2.386 -16.007 -0.198 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -3.255 -15.298 -3.508 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -2.546 -16.478 -2.401 1.00 0.00 H new ATOM 44 N ARG A 3 -4.221 -9.010 2.301 1.00 0.00 N ATOM 45 CA ARG A 3 -4.133 -7.567 2.673 1.00 0.00 C ATOM 46 C ARG A 3 -3.854 -6.714 1.434 1.00 0.00 C ATOM 47 O ARG A 3 -3.104 -7.100 0.560 1.00 0.00 O ATOM 48 CB ARG A 3 -2.964 -7.481 3.657 1.00 0.00 C ATOM 49 CG ARG A 3 -1.701 -8.046 3.002 1.00 0.00 C ATOM 50 CD ARG A 3 -1.471 -9.480 3.485 1.00 0.00 C ATOM 51 NE ARG A 3 0.010 -9.643 3.512 1.00 0.00 N ATOM 52 CZ ARG A 3 0.679 -9.340 4.591 1.00 0.00 C ATOM 53 NH1 ARG A 3 0.194 -9.636 5.765 1.00 0.00 N ATOM 54 NH2 ARG A 3 1.836 -8.742 4.495 1.00 0.00 N ATOM 0 H ARG A 3 -3.381 -9.401 1.875 1.00 0.00 H new ATOM 0 HA ARG A 3 -5.061 -7.198 3.108 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -2.800 -6.445 3.953 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -3.197 -8.039 4.564 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -1.803 -8.029 1.917 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -0.841 -7.425 3.251 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -1.904 -9.638 4.473 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -1.936 -10.202 2.814 1.00 0.00 H new ATOM 0 HE ARG A 3 0.500 -9.991 2.688 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -0.709 -10.105 5.840 1.00 0.00 H new ATOM 0 HH12 ARG A 3 0.718 -9.399 6.608 1.00 0.00 H new ATOM 0 HH21 ARG A 3 2.217 -8.512 3.577 1.00 0.00 H new ATOM 0 HH22 ARG A 3 2.359 -8.505 5.338 1.00 0.00 H new ATOM 68 N TYR A 4 -4.453 -5.556 1.347 1.00 0.00 N ATOM 69 CA TYR A 4 -4.222 -4.691 0.164 1.00 0.00 C ATOM 70 C TYR A 4 -3.978 -3.250 0.607 1.00 0.00 C ATOM 71 O TYR A 4 -4.242 -2.881 1.734 1.00 0.00 O ATOM 72 CB TYR A 4 -5.507 -4.790 -0.644 1.00 0.00 C ATOM 73 CG TYR A 4 -5.736 -6.226 -1.051 1.00 0.00 C ATOM 74 CD1 TYR A 4 -4.807 -6.875 -1.873 1.00 0.00 C ATOM 75 CD2 TYR A 4 -6.875 -6.908 -0.608 1.00 0.00 C ATOM 76 CE1 TYR A 4 -5.017 -8.207 -2.252 1.00 0.00 C ATOM 77 CE2 TYR A 4 -7.085 -8.240 -0.988 1.00 0.00 C ATOM 78 CZ TYR A 4 -6.156 -8.889 -1.810 1.00 0.00 C ATOM 79 OH TYR A 4 -6.363 -10.201 -2.184 1.00 0.00 O ATOM 0 H TYR A 4 -5.091 -5.176 2.046 1.00 0.00 H new ATOM 0 HA TYR A 4 -3.350 -4.998 -0.413 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -6.349 -4.429 -0.053 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -5.443 -4.156 -1.528 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -3.928 -6.349 -2.215 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -7.592 -6.408 0.026 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -4.300 -8.708 -2.885 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -7.964 -8.766 -0.647 1.00 0.00 H new ATOM 0 HH TYR A 4 -7.053 -10.599 -1.613 1.00 0.00 H new ATOM 89 N GLU A 5 -3.473 -2.435 -0.272 1.00 0.00 N ATOM 90 CA GLU A 5 -3.209 -1.017 0.095 1.00 0.00 C ATOM 91 C GLU A 5 -4.160 -0.088 -0.663 1.00 0.00 C ATOM 92 O GLU A 5 -4.373 -0.238 -1.850 1.00 0.00 O ATOM 93 CB GLU A 5 -1.764 -0.762 -0.331 1.00 0.00 C ATOM 94 CG GLU A 5 -0.850 -1.802 0.320 1.00 0.00 C ATOM 95 CD GLU A 5 -0.213 -1.206 1.577 1.00 0.00 C ATOM 96 OE1 GLU A 5 -0.753 -0.241 2.091 1.00 0.00 O ATOM 97 OE2 GLU A 5 0.805 -1.726 2.004 1.00 0.00 O ATOM 0 H GLU A 5 -3.231 -2.688 -1.230 1.00 0.00 H new ATOM 0 HA GLU A 5 -3.362 -0.831 1.158 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -1.679 -0.816 -1.416 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -1.458 0.242 -0.036 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -1.421 -2.694 0.577 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -0.075 -2.111 -0.382 1.00 0.00 H new ATOM 104 N VAL A 6 -4.728 0.871 0.012 1.00 0.00 N ATOM 105 CA VAL A 6 -5.661 1.810 -0.676 1.00 0.00 C ATOM 106 C VAL A 6 -4.922 3.097 -1.062 1.00 0.00 C ATOM 107 O VAL A 6 -4.417 3.814 -0.219 1.00 0.00 O ATOM 108 CB VAL A 6 -6.774 2.085 0.343 1.00 0.00 C ATOM 109 CG1 VAL A 6 -6.322 3.150 1.346 1.00 0.00 C ATOM 110 CG2 VAL A 6 -8.023 2.576 -0.394 1.00 0.00 C ATOM 0 H VAL A 6 -4.588 1.046 1.007 1.00 0.00 H new ATOM 0 HA VAL A 6 -6.065 1.398 -1.601 1.00 0.00 H new ATOM 0 HB VAL A 6 -6.999 1.165 0.882 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -7.121 3.336 2.064 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -5.435 2.800 1.873 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -6.088 4.073 0.816 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -8.817 2.773 0.327 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -7.789 3.493 -0.936 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -8.353 1.813 -1.098 1.00 0.00 H new ATOM 120 N ASN A 7 -4.844 3.391 -2.330 1.00 0.00 N ATOM 121 CA ASN A 7 -4.131 4.625 -2.767 1.00 0.00 C ATOM 122 C ASN A 7 -5.119 5.782 -2.924 1.00 0.00 C ATOM 123 O ASN A 7 -5.786 5.909 -3.932 1.00 0.00 O ATOM 124 CB ASN A 7 -3.507 4.269 -4.115 1.00 0.00 C ATOM 125 CG ASN A 7 -2.998 5.542 -4.792 1.00 0.00 C ATOM 126 OD1 ASN A 7 -3.727 6.111 -5.713 1.00 0.00 O flip ATOM 127 ND2 ASN A 7 -1.929 6.025 -4.479 1.00 0.00 N flip ATOM 0 H ASN A 7 -5.243 2.830 -3.083 1.00 0.00 H new ATOM 0 HA ASN A 7 -3.382 4.944 -2.042 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -2.686 3.566 -3.974 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -4.243 3.776 -4.750 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -1.360 5.580 -3.759 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -1.600 6.876 -4.936 1.00 0.00 H new ATOM 134 N ILE A 8 -5.218 6.628 -1.936 1.00 0.00 N ATOM 135 CA ILE A 8 -6.162 7.778 -2.030 1.00 0.00 C ATOM 136 C ILE A 8 -5.392 9.073 -2.297 1.00 0.00 C ATOM 137 O ILE A 8 -4.448 9.400 -1.604 1.00 0.00 O ATOM 138 CB ILE A 8 -6.851 7.837 -0.668 1.00 0.00 C ATOM 139 CG1 ILE A 8 -7.567 6.511 -0.399 1.00 0.00 C ATOM 140 CG2 ILE A 8 -7.868 8.979 -0.660 1.00 0.00 C ATOM 141 CD1 ILE A 8 -8.590 6.245 -1.505 1.00 0.00 C ATOM 0 H ILE A 8 -4.686 6.573 -1.067 1.00 0.00 H new ATOM 0 HA ILE A 8 -6.877 7.660 -2.844 1.00 0.00 H new ATOM 0 HB ILE A 8 -6.106 8.010 0.109 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -6.843 5.697 -0.357 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -8.065 6.545 0.570 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -8.360 9.021 0.312 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -7.357 9.923 -0.849 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -8.613 8.808 -1.437 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -9.098 5.300 -1.311 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -9.321 7.053 -1.526 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -8.080 6.192 -2.467 1.00 0.00 H new ATOM 153 N VAL A 9 -5.789 9.816 -3.293 1.00 0.00 N ATOM 154 CA VAL A 9 -5.081 11.091 -3.597 1.00 0.00 C ATOM 155 C VAL A 9 -5.968 12.282 -3.222 1.00 0.00 C ATOM 156 O VAL A 9 -7.157 12.287 -3.472 1.00 0.00 O ATOM 157 CB VAL A 9 -4.817 11.045 -5.106 1.00 0.00 C ATOM 158 CG1 VAL A 9 -4.690 12.466 -5.666 1.00 0.00 C ATOM 159 CG2 VAL A 9 -3.515 10.287 -5.358 1.00 0.00 C ATOM 0 H VAL A 9 -6.572 9.596 -3.909 1.00 0.00 H new ATOM 0 HA VAL A 9 -4.154 11.205 -3.034 1.00 0.00 H new ATOM 0 HB VAL A 9 -5.648 10.543 -5.601 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -4.503 12.419 -6.739 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -5.615 13.013 -5.483 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -3.862 12.978 -5.175 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -3.318 10.249 -6.429 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -2.693 10.798 -4.856 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -3.603 9.273 -4.969 1.00 0.00 H new ATOM 169 N LEU A 10 -5.398 13.288 -2.623 1.00 0.00 N ATOM 170 CA LEU A 10 -6.209 14.477 -2.230 1.00 0.00 C ATOM 171 C LEU A 10 -5.696 15.734 -2.939 1.00 0.00 C ATOM 172 O LEU A 10 -4.583 15.773 -3.425 1.00 0.00 O ATOM 173 CB LEU A 10 -6.030 14.601 -0.717 1.00 0.00 C ATOM 174 CG LEU A 10 -6.958 13.611 -0.011 1.00 0.00 C ATOM 175 CD1 LEU A 10 -6.123 12.563 0.724 1.00 0.00 C ATOM 176 CD2 LEU A 10 -7.834 14.361 0.995 1.00 0.00 C ATOM 0 H LEU A 10 -4.407 13.341 -2.388 1.00 0.00 H new ATOM 0 HA LEU A 10 -7.257 14.367 -2.507 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -4.993 14.402 -0.445 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -6.254 15.618 -0.396 1.00 0.00 H new ATOM 0 HG LEU A 10 -7.591 13.119 -0.749 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -6.785 11.858 1.227 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -5.499 12.028 0.008 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -5.489 13.055 1.462 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -8.495 13.656 1.498 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -7.201 14.854 1.732 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -8.431 15.108 0.472 1.00 0.00 H new ATOM 188 N ASN A 11 -6.502 16.758 -3.004 1.00 0.00 N ATOM 189 CA ASN A 11 -6.066 18.013 -3.683 1.00 0.00 C ATOM 190 C ASN A 11 -5.247 18.880 -2.724 1.00 0.00 C ATOM 191 O ASN A 11 -5.641 19.100 -1.595 1.00 0.00 O ATOM 192 CB ASN A 11 -7.363 18.725 -4.067 1.00 0.00 C ATOM 193 CG ASN A 11 -7.917 18.121 -5.359 1.00 0.00 C ATOM 194 OD1 ASN A 11 -7.189 17.510 -6.116 1.00 0.00 O ATOM 195 ND2 ASN A 11 -9.182 18.270 -5.645 1.00 0.00 N ATOM 0 H ASN A 11 -7.445 16.781 -2.616 1.00 0.00 H new ATOM 0 HA ASN A 11 -5.435 17.814 -4.549 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -8.095 18.627 -3.265 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -7.178 19.791 -4.202 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -9.561 17.873 -6.505 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -9.792 18.783 -5.008 1.00 0.00 H new ATOM 202 N PRO A 12 -4.129 19.350 -3.211 1.00 0.00 N ATOM 203 CA PRO A 12 -3.244 20.206 -2.394 1.00 0.00 C ATOM 204 C PRO A 12 -3.736 21.653 -2.431 1.00 0.00 C ATOM 205 O PRO A 12 -2.980 22.574 -2.665 1.00 0.00 O ATOM 206 CB PRO A 12 -1.891 20.074 -3.082 1.00 0.00 C ATOM 207 CG PRO A 12 -2.197 19.710 -4.506 1.00 0.00 C ATOM 208 CD PRO A 12 -3.591 19.126 -4.553 1.00 0.00 C ATOM 0 HA PRO A 12 -3.211 19.919 -1.343 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -1.331 21.007 -3.028 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -1.281 19.308 -2.604 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -2.131 20.590 -5.146 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -1.470 18.989 -4.879 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -4.201 19.616 -5.312 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -3.568 18.064 -4.799 1.00 0.00 H new ATOM 216 N ASN A 13 -5.002 21.853 -2.205 1.00 0.00 N ATOM 217 CA ASN A 13 -5.557 23.238 -2.229 1.00 0.00 C ATOM 218 C ASN A 13 -6.106 23.617 -0.850 1.00 0.00 C ATOM 219 O ASN A 13 -6.044 24.760 -0.441 1.00 0.00 O ATOM 220 CB ASN A 13 -6.685 23.193 -3.260 1.00 0.00 C ATOM 221 CG ASN A 13 -7.369 24.559 -3.324 1.00 0.00 C ATOM 222 OD1 ASN A 13 -8.563 24.664 -3.123 1.00 0.00 O ATOM 223 ND2 ASN A 13 -6.659 25.618 -3.597 1.00 0.00 N ATOM 0 H ASN A 13 -5.680 21.118 -2.004 1.00 0.00 H new ATOM 0 HA ASN A 13 -4.800 23.980 -2.482 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -6.287 22.927 -4.239 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -7.409 22.424 -2.990 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -7.106 26.534 -3.642 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -5.657 25.531 -3.766 1.00 0.00 H new ATOM 230 N LEU A 14 -6.642 22.670 -0.131 1.00 0.00 N ATOM 231 CA LEU A 14 -7.194 22.977 1.220 1.00 0.00 C ATOM 232 C LEU A 14 -6.097 23.540 2.126 1.00 0.00 C ATOM 233 O LEU A 14 -4.929 23.251 1.957 1.00 0.00 O ATOM 234 CB LEU A 14 -7.685 21.632 1.753 1.00 0.00 C ATOM 235 CG LEU A 14 -9.214 21.611 1.785 1.00 0.00 C ATOM 236 CD1 LEU A 14 -9.768 22.163 0.470 1.00 0.00 C ATOM 237 CD2 LEU A 14 -9.689 20.169 1.969 1.00 0.00 C ATOM 0 H LEU A 14 -6.722 21.695 -0.420 1.00 0.00 H new ATOM 0 HA LEU A 14 -7.989 23.722 1.184 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -7.315 20.824 1.122 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -7.289 21.461 2.754 1.00 0.00 H new ATOM 0 HG LEU A 14 -9.569 22.228 2.610 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -10.857 22.146 0.498 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -9.425 23.188 0.333 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -9.417 21.549 -0.359 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -10.778 20.145 1.993 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -9.331 19.559 1.140 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -9.297 19.773 2.906 1.00 0.00 H new ATOM 249 N ASP A 15 -6.464 24.338 3.092 1.00 0.00 N ATOM 250 CA ASP A 15 -5.440 24.912 4.011 1.00 0.00 C ATOM 251 C ASP A 15 -5.027 23.863 5.048 1.00 0.00 C ATOM 252 O ASP A 15 -5.454 22.727 4.996 1.00 0.00 O ATOM 253 CB ASP A 15 -6.125 26.104 4.684 1.00 0.00 C ATOM 254 CG ASP A 15 -7.417 25.642 5.359 1.00 0.00 C ATOM 255 OD1 ASP A 15 -7.353 24.708 6.138 1.00 0.00 O ATOM 256 OD2 ASP A 15 -8.449 26.233 5.087 1.00 0.00 O ATOM 0 H ASP A 15 -7.426 24.617 3.284 1.00 0.00 H new ATOM 0 HA ASP A 15 -4.534 25.217 3.487 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -5.458 26.551 5.421 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -6.345 26.874 3.945 1.00 0.00 H new ATOM 261 N GLN A 16 -4.197 24.228 5.986 1.00 0.00 N ATOM 262 CA GLN A 16 -3.758 23.242 7.015 1.00 0.00 C ATOM 263 C GLN A 16 -4.935 22.839 7.909 1.00 0.00 C ATOM 264 O GLN A 16 -5.164 21.672 8.158 1.00 0.00 O ATOM 265 CB GLN A 16 -2.686 23.966 7.833 1.00 0.00 C ATOM 266 CG GLN A 16 -1.733 24.707 6.891 1.00 0.00 C ATOM 267 CD GLN A 16 -0.344 24.788 7.527 1.00 0.00 C ATOM 268 OE1 GLN A 16 0.233 25.853 7.619 1.00 0.00 O ATOM 269 NE2 GLN A 16 0.221 23.700 7.976 1.00 0.00 N ATOM 0 H GLN A 16 -3.804 25.164 6.085 1.00 0.00 H new ATOM 0 HA GLN A 16 -3.377 22.325 6.565 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -3.153 24.670 8.521 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -2.131 23.250 8.438 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -1.676 24.189 5.934 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -2.111 25.709 6.689 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -0.263 22.805 7.899 1.00 0.00 H new ATOM 0 HE22 GLN A 16 1.146 23.745 8.404 1.00 0.00 H new ATOM 278 N SER A 17 -5.675 23.793 8.403 1.00 0.00 N ATOM 279 CA SER A 17 -6.825 23.460 9.289 1.00 0.00 C ATOM 280 C SER A 17 -7.791 22.498 8.588 1.00 0.00 C ATOM 281 O SER A 17 -8.215 21.511 9.156 1.00 0.00 O ATOM 282 CB SER A 17 -7.508 24.798 9.571 1.00 0.00 C ATOM 283 OG SER A 17 -8.535 24.607 10.533 1.00 0.00 O ATOM 0 H SER A 17 -5.533 24.788 8.231 1.00 0.00 H new ATOM 0 HA SER A 17 -6.503 22.963 10.204 1.00 0.00 H new ATOM 0 HB2 SER A 17 -6.780 25.521 9.938 1.00 0.00 H new ATOM 0 HB3 SER A 17 -7.927 25.207 8.651 1.00 0.00 H new ATOM 0 HG SER A 17 -8.974 25.464 10.717 1.00 0.00 H new ATOM 289 N GLN A 18 -8.138 22.770 7.360 1.00 0.00 N ATOM 290 CA GLN A 18 -9.072 21.860 6.637 1.00 0.00 C ATOM 291 C GLN A 18 -8.412 20.494 6.438 1.00 0.00 C ATOM 292 O GLN A 18 -9.029 19.462 6.608 1.00 0.00 O ATOM 293 CB GLN A 18 -9.329 22.538 5.290 1.00 0.00 C ATOM 294 CG GLN A 18 -10.166 23.800 5.507 1.00 0.00 C ATOM 295 CD GLN A 18 -11.647 23.475 5.303 1.00 0.00 C ATOM 296 OE1 GLN A 18 -12.105 23.352 4.184 1.00 0.00 O ATOM 297 NE2 GLN A 18 -12.422 23.328 6.344 1.00 0.00 N ATOM 0 H GLN A 18 -7.817 23.579 6.828 1.00 0.00 H new ATOM 0 HA GLN A 18 -9.999 21.692 7.185 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -8.383 22.794 4.813 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -9.850 21.854 4.620 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -10.004 24.188 6.513 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -9.855 24.579 4.811 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -12.039 23.431 7.284 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -13.410 23.110 6.217 1.00 0.00 H new ATOM 306 N LEU A 19 -7.156 20.485 6.089 1.00 0.00 N ATOM 307 CA LEU A 19 -6.445 19.191 5.888 1.00 0.00 C ATOM 308 C LEU A 19 -6.531 18.342 7.161 1.00 0.00 C ATOM 309 O LEU A 19 -6.619 17.132 7.108 1.00 0.00 O ATOM 310 CB LEU A 19 -4.994 19.584 5.601 1.00 0.00 C ATOM 311 CG LEU A 19 -4.111 18.334 5.597 1.00 0.00 C ATOM 312 CD1 LEU A 19 -3.833 17.910 4.154 1.00 0.00 C ATOM 313 CD2 LEU A 19 -2.787 18.647 6.298 1.00 0.00 C ATOM 0 H LEU A 19 -6.590 21.319 5.934 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.875 18.598 5.081 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.928 20.090 4.638 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -4.642 20.287 6.356 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.621 17.526 6.121 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.204 17.020 4.151 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.775 17.691 3.651 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.322 18.717 3.630 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.156 17.758 6.297 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.278 19.454 5.771 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.983 18.952 7.326 1.00 0.00 H new ATOM 325 N ALA A 20 -6.491 18.965 8.306 1.00 0.00 N ATOM 326 CA ALA A 20 -6.557 18.197 9.576 1.00 0.00 C ATOM 327 C ALA A 20 -7.919 17.508 9.732 1.00 0.00 C ATOM 328 O ALA A 20 -8.016 16.421 10.265 1.00 0.00 O ATOM 329 CB ALA A 20 -6.359 19.242 10.675 1.00 0.00 C ATOM 0 H ALA A 20 -6.415 19.976 8.415 1.00 0.00 H new ATOM 0 HA ALA A 20 -5.807 17.407 9.612 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -6.394 18.756 11.650 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -5.391 19.727 10.546 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -7.150 19.989 10.613 1.00 0.00 H new ATOM 335 N LEU A 21 -8.974 18.138 9.289 1.00 0.00 N ATOM 336 CA LEU A 21 -10.323 17.531 9.432 1.00 0.00 C ATOM 337 C LEU A 21 -10.482 16.303 8.521 1.00 0.00 C ATOM 338 O LEU A 21 -11.132 15.341 8.877 1.00 0.00 O ATOM 339 CB LEU A 21 -11.304 18.654 9.054 1.00 0.00 C ATOM 340 CG LEU A 21 -11.676 18.580 7.570 1.00 0.00 C ATOM 341 CD1 LEU A 21 -12.779 17.538 7.373 1.00 0.00 C ATOM 342 CD2 LEU A 21 -12.184 19.947 7.106 1.00 0.00 C ATOM 0 H LEU A 21 -8.956 19.050 8.833 1.00 0.00 H new ATOM 0 HA LEU A 21 -10.503 17.164 10.442 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -12.205 18.575 9.663 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -10.855 19.623 9.272 1.00 0.00 H new ATOM 0 HG LEU A 21 -10.798 18.298 6.988 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -13.045 17.484 6.317 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -12.423 16.564 7.707 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -13.656 17.823 7.954 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -12.449 19.897 6.050 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -13.062 20.226 7.688 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -11.402 20.693 7.249 1.00 0.00 H new ATOM 354 N GLU A 22 -9.904 16.327 7.350 1.00 0.00 N ATOM 355 CA GLU A 22 -10.044 15.155 6.434 1.00 0.00 C ATOM 356 C GLU A 22 -9.302 13.942 7.005 1.00 0.00 C ATOM 357 O GLU A 22 -9.624 12.809 6.708 1.00 0.00 O ATOM 358 CB GLU A 22 -9.426 15.598 5.104 1.00 0.00 C ATOM 359 CG GLU A 22 -7.941 15.907 5.298 1.00 0.00 C ATOM 360 CD GLU A 22 -7.137 15.300 4.147 1.00 0.00 C ATOM 361 OE1 GLU A 22 -7.466 14.201 3.735 1.00 0.00 O ATOM 362 OE2 GLU A 22 -6.204 15.946 3.698 1.00 0.00 O ATOM 0 H GLU A 22 -9.345 17.100 6.989 1.00 0.00 H new ATOM 0 HA GLU A 22 -11.085 14.856 6.309 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -9.549 14.814 4.357 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -9.944 16.480 4.728 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -7.785 16.985 5.335 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -7.596 15.502 6.249 1.00 0.00 H new ATOM 369 N LYS A 23 -8.317 14.169 7.830 1.00 0.00 N ATOM 370 CA LYS A 23 -7.567 13.027 8.425 1.00 0.00 C ATOM 371 C LYS A 23 -8.464 12.265 9.405 1.00 0.00 C ATOM 372 O LYS A 23 -8.370 11.061 9.543 1.00 0.00 O ATOM 373 CB LYS A 23 -6.393 13.667 9.167 1.00 0.00 C ATOM 374 CG LYS A 23 -5.077 13.169 8.568 1.00 0.00 C ATOM 375 CD LYS A 23 -4.761 13.961 7.296 1.00 0.00 C ATOM 376 CE LYS A 23 -4.678 13.005 6.104 1.00 0.00 C ATOM 377 NZ LYS A 23 -3.732 13.657 5.156 1.00 0.00 N ATOM 0 H LYS A 23 -7.999 15.095 8.118 1.00 0.00 H new ATOM 0 HA LYS A 23 -7.234 12.313 7.672 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -6.451 14.753 9.092 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -6.440 13.417 10.227 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -4.270 13.285 9.291 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -5.149 12.106 8.338 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -5.533 14.711 7.121 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -3.818 14.495 7.413 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -4.317 12.023 6.409 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -5.656 12.857 5.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -3.622 13.061 4.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -4.105 14.587 4.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -2.808 13.779 5.617 1.00 0.00 H new ATOM 391 N GLU A 24 -9.325 12.964 10.090 1.00 0.00 N ATOM 392 CA GLU A 24 -10.227 12.295 11.071 1.00 0.00 C ATOM 393 C GLU A 24 -11.315 11.492 10.350 1.00 0.00 C ATOM 394 O GLU A 24 -11.444 10.297 10.534 1.00 0.00 O ATOM 395 CB GLU A 24 -10.849 13.440 11.874 1.00 0.00 C ATOM 396 CG GLU A 24 -9.876 13.885 12.967 1.00 0.00 C ATOM 397 CD GLU A 24 -10.494 13.624 14.342 1.00 0.00 C ATOM 398 OE1 GLU A 24 -10.575 12.468 14.723 1.00 0.00 O ATOM 399 OE2 GLU A 24 -10.876 14.584 14.990 1.00 0.00 O ATOM 0 H GLU A 24 -9.444 13.974 10.013 1.00 0.00 H new ATOM 0 HA GLU A 24 -9.690 11.589 11.705 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -11.080 14.277 11.215 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -11.790 13.117 12.320 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -8.934 13.344 12.872 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -9.648 14.945 12.855 1.00 0.00 H new ATOM 406 N ILE A 25 -12.106 12.138 9.537 1.00 0.00 N ATOM 407 CA ILE A 25 -13.191 11.413 8.813 1.00 0.00 C ATOM 408 C ILE A 25 -12.614 10.280 7.963 1.00 0.00 C ATOM 409 O ILE A 25 -13.147 9.189 7.921 1.00 0.00 O ATOM 410 CB ILE A 25 -13.840 12.468 7.921 1.00 0.00 C ATOM 411 CG1 ILE A 25 -12.849 12.903 6.839 1.00 0.00 C ATOM 412 CG2 ILE A 25 -14.225 13.677 8.769 1.00 0.00 C ATOM 413 CD1 ILE A 25 -13.445 14.060 6.036 1.00 0.00 C ATOM 0 H ILE A 25 -12.048 13.138 9.342 1.00 0.00 H new ATOM 0 HA ILE A 25 -13.903 10.956 9.500 1.00 0.00 H new ATOM 0 HB ILE A 25 -14.730 12.050 7.451 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -11.908 13.210 7.295 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -12.625 12.065 6.178 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -14.689 14.433 8.135 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -14.929 13.370 9.542 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -13.332 14.093 9.236 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -12.739 14.370 5.265 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -14.375 13.737 5.568 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -13.647 14.899 6.702 1.00 0.00 H new ATOM 425 N ILE A 26 -11.537 10.533 7.279 1.00 0.00 N ATOM 426 CA ILE A 26 -10.934 9.471 6.423 1.00 0.00 C ATOM 427 C ILE A 26 -10.574 8.246 7.270 1.00 0.00 C ATOM 428 O ILE A 26 -10.930 7.131 6.944 1.00 0.00 O ATOM 429 CB ILE A 26 -9.676 10.109 5.833 1.00 0.00 C ATOM 430 CG1 ILE A 26 -10.071 11.068 4.706 1.00 0.00 C ATOM 431 CG2 ILE A 26 -8.763 9.016 5.270 1.00 0.00 C ATOM 432 CD1 ILE A 26 -8.813 11.691 4.099 1.00 0.00 C ATOM 0 H ILE A 26 -11.046 11.427 7.274 1.00 0.00 H new ATOM 0 HA ILE A 26 -11.618 9.126 5.648 1.00 0.00 H new ATOM 0 HB ILE A 26 -9.149 10.658 6.613 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -10.631 10.533 3.939 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -10.726 11.849 5.092 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -7.866 9.472 4.850 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -8.481 8.330 6.069 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -9.291 8.467 4.490 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -9.095 12.373 3.297 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -8.271 12.240 4.869 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -8.175 10.904 3.698 1.00 0.00 H new ATOM 444 N GLN A 27 -9.874 8.445 8.354 1.00 0.00 N ATOM 445 CA GLN A 27 -9.490 7.293 9.223 1.00 0.00 C ATOM 446 C GLN A 27 -10.738 6.651 9.835 1.00 0.00 C ATOM 447 O GLN A 27 -10.822 5.448 9.983 1.00 0.00 O ATOM 448 CB GLN A 27 -8.612 7.901 10.318 1.00 0.00 C ATOM 449 CG GLN A 27 -7.187 7.357 10.193 1.00 0.00 C ATOM 450 CD GLN A 27 -6.192 8.518 10.230 1.00 0.00 C ATOM 451 OE1 GLN A 27 -6.561 9.642 10.505 1.00 0.00 O ATOM 452 NE2 GLN A 27 -4.934 8.291 9.966 1.00 0.00 N ATOM 0 H GLN A 27 -9.550 9.357 8.677 1.00 0.00 H new ATOM 0 HA GLN A 27 -8.971 6.512 8.667 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -8.606 8.988 10.232 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -9.019 7.661 11.300 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -6.980 6.661 11.006 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -7.079 6.801 9.262 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -4.624 7.347 9.735 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -4.261 9.057 9.991 1.00 0.00 H new ATOM 461 N ARG A 28 -11.697 7.448 10.207 1.00 0.00 N ATOM 462 CA ARG A 28 -12.937 6.896 10.823 1.00 0.00 C ATOM 463 C ARG A 28 -13.822 6.208 9.776 1.00 0.00 C ATOM 464 O ARG A 28 -14.531 5.270 10.079 1.00 0.00 O ATOM 465 CB ARG A 28 -13.656 8.112 11.404 1.00 0.00 C ATOM 466 CG ARG A 28 -12.996 8.512 12.725 1.00 0.00 C ATOM 467 CD ARG A 28 -13.740 9.703 13.328 1.00 0.00 C ATOM 468 NE ARG A 28 -13.183 9.849 14.701 1.00 0.00 N ATOM 469 CZ ARG A 28 -13.959 9.699 15.739 1.00 0.00 C ATOM 470 NH1 ARG A 28 -14.482 8.532 15.998 1.00 0.00 N ATOM 471 NH2 ARG A 28 -14.213 10.716 16.516 1.00 0.00 N ATOM 0 H ARG A 28 -11.677 8.463 10.111 1.00 0.00 H new ATOM 0 HA ARG A 28 -12.710 6.141 11.576 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -13.616 8.942 10.699 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -14.709 7.882 11.566 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -13.010 7.672 13.419 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -11.950 8.770 12.558 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -13.581 10.607 12.739 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -14.815 9.525 13.355 1.00 0.00 H new ATOM 0 HE ARG A 28 -12.195 10.066 14.830 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -14.284 7.738 15.389 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -15.089 8.414 16.809 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -13.805 11.628 16.312 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -14.820 10.599 17.328 1.00 0.00 H new ATOM 485 N ALA A 29 -13.809 6.675 8.557 1.00 0.00 N ATOM 486 CA ALA A 29 -14.677 6.052 7.523 1.00 0.00 C ATOM 487 C ALA A 29 -14.183 4.653 7.169 1.00 0.00 C ATOM 488 O ALA A 29 -14.948 3.709 7.164 1.00 0.00 O ATOM 489 CB ALA A 29 -14.593 6.980 6.311 1.00 0.00 C ATOM 0 H ALA A 29 -13.238 7.456 8.236 1.00 0.00 H new ATOM 0 HA ALA A 29 -15.702 5.936 7.874 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -15.211 6.583 5.505 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -14.950 7.972 6.587 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -13.558 7.047 5.975 1.00 0.00 H new ATOM 495 N LEU A 30 -12.920 4.488 6.897 1.00 0.00 N ATOM 496 CA LEU A 30 -12.443 3.114 6.584 1.00 0.00 C ATOM 497 C LEU A 30 -12.865 2.223 7.743 1.00 0.00 C ATOM 498 O LEU A 30 -13.219 1.072 7.575 1.00 0.00 O ATOM 499 CB LEU A 30 -10.921 3.200 6.473 1.00 0.00 C ATOM 500 CG LEU A 30 -10.350 3.898 7.704 1.00 0.00 C ATOM 501 CD1 LEU A 30 -9.942 2.858 8.746 1.00 0.00 C ATOM 502 CD2 LEU A 30 -9.122 4.708 7.296 1.00 0.00 C ATOM 0 H LEU A 30 -12.213 5.223 6.878 1.00 0.00 H new ATOM 0 HA LEU A 30 -12.852 2.708 5.659 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -10.497 2.200 6.382 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -10.644 3.747 5.572 1.00 0.00 H new ATOM 0 HG LEU A 30 -11.107 4.557 8.129 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -9.535 3.362 9.623 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -10.814 2.272 9.036 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -9.185 2.197 8.323 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -8.709 5.209 8.172 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -8.371 4.042 6.872 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -9.408 5.452 6.553 1.00 0.00 H new ATOM 514 N GLU A 31 -12.857 2.778 8.924 1.00 0.00 N ATOM 515 CA GLU A 31 -13.285 2.017 10.117 1.00 0.00 C ATOM 516 C GLU A 31 -14.787 1.738 10.029 1.00 0.00 C ATOM 517 O GLU A 31 -15.263 0.710 10.468 1.00 0.00 O ATOM 518 CB GLU A 31 -12.974 2.931 11.305 1.00 0.00 C ATOM 519 CG GLU A 31 -11.508 2.767 11.706 1.00 0.00 C ATOM 520 CD GLU A 31 -11.382 1.638 12.729 1.00 0.00 C ATOM 521 OE1 GLU A 31 -11.846 1.819 13.844 1.00 0.00 O ATOM 522 OE2 GLU A 31 -10.827 0.609 12.380 1.00 0.00 O ATOM 0 H GLU A 31 -12.567 3.738 9.109 1.00 0.00 H new ATOM 0 HA GLU A 31 -12.779 1.056 10.208 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -13.176 3.969 11.041 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -13.622 2.684 12.146 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -10.902 2.545 10.827 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -11.129 3.698 12.128 1.00 0.00 H new ATOM 529 N ASN A 32 -15.543 2.647 9.459 1.00 0.00 N ATOM 530 CA ASN A 32 -17.004 2.427 9.344 1.00 0.00 C ATOM 531 C ASN A 32 -17.270 1.112 8.617 1.00 0.00 C ATOM 532 O ASN A 32 -18.155 0.359 8.973 1.00 0.00 O ATOM 533 CB ASN A 32 -17.517 3.609 8.522 1.00 0.00 C ATOM 534 CG ASN A 32 -19.020 3.779 8.749 1.00 0.00 C ATOM 535 OD1 ASN A 32 -19.540 3.384 9.774 1.00 0.00 O ATOM 536 ND2 ASN A 32 -19.745 4.356 7.831 1.00 0.00 N ATOM 0 H ASN A 32 -15.204 3.528 9.072 1.00 0.00 H new ATOM 0 HA ASN A 32 -17.497 2.365 10.314 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -16.991 4.520 8.808 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -17.315 3.444 7.464 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -20.748 4.476 7.974 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -19.309 4.688 6.971 1.00 0.00 H new ATOM 543 N TYR A 33 -16.508 0.834 7.597 1.00 0.00 N ATOM 544 CA TYR A 33 -16.697 -0.412 6.838 1.00 0.00 C ATOM 545 C TYR A 33 -16.160 -1.608 7.630 1.00 0.00 C ATOM 546 O TYR A 33 -16.192 -2.733 7.171 1.00 0.00 O ATOM 547 CB TYR A 33 -15.874 -0.175 5.583 1.00 0.00 C ATOM 548 CG TYR A 33 -16.724 -0.430 4.368 1.00 0.00 C ATOM 549 CD1 TYR A 33 -17.491 0.610 3.838 1.00 0.00 C ATOM 550 CD2 TYR A 33 -16.750 -1.696 3.774 1.00 0.00 C ATOM 551 CE1 TYR A 33 -18.287 0.387 2.711 1.00 0.00 C ATOM 552 CE2 TYR A 33 -17.546 -1.921 2.646 1.00 0.00 C ATOM 553 CZ TYR A 33 -18.315 -0.879 2.114 1.00 0.00 C ATOM 554 OH TYR A 33 -19.100 -1.099 1.000 1.00 0.00 O ATOM 0 H TYR A 33 -15.754 1.432 7.260 1.00 0.00 H new ATOM 0 HA TYR A 33 -17.742 -0.639 6.626 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -15.499 0.849 5.569 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -15.005 -0.833 5.576 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -17.469 1.586 4.299 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -16.156 -2.499 4.186 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -18.880 1.191 2.301 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -17.567 -2.898 2.186 1.00 0.00 H new ATOM 0 HH TYR A 33 -19.476 -2.003 1.038 1.00 0.00 H new ATOM 564 N GLY A 34 -15.666 -1.373 8.815 1.00 0.00 N ATOM 565 CA GLY A 34 -15.130 -2.485 9.637 1.00 0.00 C ATOM 566 C GLY A 34 -13.780 -2.939 9.079 1.00 0.00 C ATOM 567 O GLY A 34 -13.460 -4.110 9.077 1.00 0.00 O ATOM 0 H GLY A 34 -15.612 -0.451 9.248 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -15.016 -2.162 10.672 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -15.832 -3.319 9.639 1.00 0.00 H new ATOM 571 N ALA A 35 -12.980 -2.018 8.610 1.00 0.00 N ATOM 572 CA ALA A 35 -11.647 -2.398 8.059 1.00 0.00 C ATOM 573 C ALA A 35 -10.542 -1.999 9.042 1.00 0.00 C ATOM 574 O ALA A 35 -10.515 -0.893 9.543 1.00 0.00 O ATOM 575 CB ALA A 35 -11.516 -1.612 6.754 1.00 0.00 C ATOM 0 H ALA A 35 -13.192 -1.021 8.585 1.00 0.00 H new ATOM 0 HA ALA A 35 -11.557 -3.472 7.895 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -10.557 -1.839 6.287 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -12.324 -1.892 6.078 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -11.573 -0.544 6.965 1.00 0.00 H new ATOM 581 N ARG A 36 -9.636 -2.894 9.326 1.00 0.00 N ATOM 582 CA ARG A 36 -8.541 -2.570 10.284 1.00 0.00 C ATOM 583 C ARG A 36 -7.207 -2.462 9.545 1.00 0.00 C ATOM 584 O ARG A 36 -6.910 -3.233 8.654 1.00 0.00 O ATOM 585 CB ARG A 36 -8.492 -3.728 11.277 1.00 0.00 C ATOM 586 CG ARG A 36 -9.898 -4.298 11.505 1.00 0.00 C ATOM 587 CD ARG A 36 -9.809 -5.538 12.397 1.00 0.00 C ATOM 588 NE ARG A 36 -10.993 -5.446 13.296 1.00 0.00 N ATOM 589 CZ ARG A 36 -10.827 -5.213 14.568 1.00 0.00 C ATOM 590 NH1 ARG A 36 -10.640 -3.992 14.989 1.00 0.00 N ATOM 591 NH2 ARG A 36 -10.847 -6.202 15.420 1.00 0.00 N ATOM 0 H ARG A 36 -9.607 -3.836 8.936 1.00 0.00 H new ATOM 0 HA ARG A 36 -8.720 -1.618 10.784 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -7.832 -4.510 10.901 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -8.074 -3.386 12.224 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -10.535 -3.547 11.972 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -10.356 -4.556 10.550 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -9.832 -6.453 11.805 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -8.880 -5.550 12.967 1.00 0.00 H new ATOM 0 HE ARG A 36 -11.932 -5.565 12.917 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -10.624 -3.220 14.323 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -10.510 -3.810 15.984 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -10.992 -7.156 15.090 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -10.717 -6.020 16.415 1.00 0.00 H new ATOM 605 N VAL A 37 -6.407 -1.509 9.911 1.00 0.00 N ATOM 606 CA VAL A 37 -5.086 -1.334 9.240 1.00 0.00 C ATOM 607 C VAL A 37 -3.962 -1.892 10.116 1.00 0.00 C ATOM 608 O VAL A 37 -3.752 -1.453 11.230 1.00 0.00 O ATOM 609 CB VAL A 37 -4.928 0.175 9.064 1.00 0.00 C ATOM 610 CG1 VAL A 37 -5.035 0.863 10.425 1.00 0.00 C ATOM 611 CG2 VAL A 37 -3.559 0.471 8.450 1.00 0.00 C ATOM 0 H VAL A 37 -6.608 -0.836 10.651 1.00 0.00 H new ATOM 0 HA VAL A 37 -5.036 -1.865 8.289 1.00 0.00 H new ATOM 0 HB VAL A 37 -5.713 0.550 8.407 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -4.922 1.940 10.298 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -6.009 0.650 10.865 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -4.250 0.491 11.083 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -3.442 1.547 8.323 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -2.776 0.097 9.109 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -3.482 -0.020 7.480 1.00 0.00 H new ATOM 621 N GLU A 38 -3.234 -2.854 9.618 1.00 0.00 N ATOM 622 CA GLU A 38 -2.118 -3.437 10.415 1.00 0.00 C ATOM 623 C GLU A 38 -0.859 -2.584 10.250 1.00 0.00 C ATOM 624 O GLU A 38 -0.008 -2.539 11.115 1.00 0.00 O ATOM 625 CB GLU A 38 -1.900 -4.832 9.828 1.00 0.00 C ATOM 626 CG GLU A 38 -1.767 -5.850 10.963 1.00 0.00 C ATOM 627 CD GLU A 38 -1.222 -7.167 10.407 1.00 0.00 C ATOM 628 OE1 GLU A 38 -1.989 -7.891 9.794 1.00 0.00 O ATOM 629 OE2 GLU A 38 -0.047 -7.430 10.604 1.00 0.00 O ATOM 0 H GLU A 38 -3.364 -3.262 8.692 1.00 0.00 H new ATOM 0 HA GLU A 38 -2.343 -3.475 11.481 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -2.735 -5.100 9.181 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.002 -4.842 9.210 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.100 -5.465 11.734 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -2.736 -6.015 11.433 1.00 0.00 H new ATOM 636 N LYS A 39 -0.736 -1.906 9.141 1.00 0.00 N ATOM 637 CA LYS A 39 0.467 -1.053 8.914 1.00 0.00 C ATOM 638 C LYS A 39 0.220 -0.095 7.745 1.00 0.00 C ATOM 639 O LYS A 39 -0.396 -0.449 6.761 1.00 0.00 O ATOM 640 CB LYS A 39 1.588 -2.036 8.573 1.00 0.00 C ATOM 641 CG LYS A 39 2.470 -2.254 9.805 1.00 0.00 C ATOM 642 CD LYS A 39 2.197 -3.642 10.388 1.00 0.00 C ATOM 643 CE LYS A 39 3.288 -4.613 9.932 1.00 0.00 C ATOM 644 NZ LYS A 39 4.540 -4.111 10.563 1.00 0.00 N ATOM 0 H LYS A 39 -1.417 -1.906 8.382 1.00 0.00 H new ATOM 0 HA LYS A 39 0.711 -0.440 9.782 1.00 0.00 H new ATOM 0 HB2 LYS A 39 1.166 -2.985 8.243 1.00 0.00 H new ATOM 0 HB3 LYS A 39 2.187 -1.649 7.748 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.522 -2.162 9.534 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.266 -1.487 10.552 1.00 0.00 H new ATOM 0 HD2 LYS A 39 2.172 -3.592 11.477 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.220 -3.998 10.063 1.00 0.00 H new ATOM 0 HE2 LYS A 39 3.067 -5.632 10.250 1.00 0.00 H new ATOM 0 HE3 LYS A 39 3.373 -4.629 8.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 5.099 -4.915 10.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 5.096 -3.583 9.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 4.301 -3.484 11.357 1.00 0.00 H new ATOM 658 N VAL A 40 0.694 1.118 7.846 1.00 0.00 N ATOM 659 CA VAL A 40 0.480 2.093 6.741 1.00 0.00 C ATOM 660 C VAL A 40 1.816 2.677 6.275 1.00 0.00 C ATOM 661 O VAL A 40 2.674 3.003 7.071 1.00 0.00 O ATOM 662 CB VAL A 40 -0.397 3.186 7.347 1.00 0.00 C ATOM 663 CG1 VAL A 40 -1.826 2.665 7.500 1.00 0.00 C ATOM 664 CG2 VAL A 40 0.153 3.579 8.721 1.00 0.00 C ATOM 0 H VAL A 40 1.219 1.474 8.645 1.00 0.00 H new ATOM 0 HA VAL A 40 0.018 1.630 5.869 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.396 4.058 6.693 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -2.453 3.445 7.933 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -2.218 2.385 6.522 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.827 1.793 8.155 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.473 4.359 9.154 1.00 0.00 H new ATOM 0 HG22 VAL A 40 0.152 2.708 9.376 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.172 3.950 8.612 1.00 0.00 H new ATOM 674 N GLU A 41 1.996 2.814 4.990 1.00 0.00 N ATOM 675 CA GLU A 41 3.274 3.381 4.470 1.00 0.00 C ATOM 676 C GLU A 41 3.037 4.785 3.906 1.00 0.00 C ATOM 677 O GLU A 41 2.223 4.981 3.026 1.00 0.00 O ATOM 678 CB GLU A 41 3.712 2.425 3.361 1.00 0.00 C ATOM 679 CG GLU A 41 5.205 2.124 3.505 1.00 0.00 C ATOM 680 CD GLU A 41 5.884 2.240 2.139 1.00 0.00 C ATOM 681 OE1 GLU A 41 5.376 2.976 1.308 1.00 0.00 O ATOM 682 OE2 GLU A 41 6.899 1.593 1.947 1.00 0.00 O ATOM 0 H GLU A 41 1.313 2.558 4.277 1.00 0.00 H new ATOM 0 HA GLU A 41 4.031 3.474 5.249 1.00 0.00 H new ATOM 0 HB2 GLU A 41 3.137 1.501 3.416 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.512 2.868 2.385 1.00 0.00 H new ATOM 0 HG2 GLU A 41 5.661 2.820 4.209 1.00 0.00 H new ATOM 0 HG3 GLU A 41 5.347 1.122 3.910 1.00 0.00 H new ATOM 689 N GLU A 42 3.741 5.763 4.407 1.00 0.00 N ATOM 690 CA GLU A 42 3.554 7.153 3.900 1.00 0.00 C ATOM 691 C GLU A 42 4.374 7.367 2.623 1.00 0.00 C ATOM 692 O GLU A 42 5.580 7.223 2.617 1.00 0.00 O ATOM 693 CB GLU A 42 4.067 8.053 5.023 1.00 0.00 C ATOM 694 CG GLU A 42 3.062 8.052 6.177 1.00 0.00 C ATOM 695 CD GLU A 42 3.813 7.999 7.510 1.00 0.00 C ATOM 696 OE1 GLU A 42 4.946 7.545 7.511 1.00 0.00 O ATOM 697 OE2 GLU A 42 3.242 8.411 8.506 1.00 0.00 O ATOM 0 H GLU A 42 4.437 5.660 5.145 1.00 0.00 H new ATOM 0 HA GLU A 42 2.515 7.365 3.648 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.038 7.700 5.372 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.211 9.068 4.653 1.00 0.00 H new ATOM 0 HG2 GLU A 42 2.441 8.947 6.133 1.00 0.00 H new ATOM 0 HG3 GLU A 42 2.394 7.195 6.090 1.00 0.00 H new ATOM 704 N LEU A 43 3.728 7.712 1.542 1.00 0.00 N ATOM 705 CA LEU A 43 4.473 7.936 0.268 1.00 0.00 C ATOM 706 C LEU A 43 4.908 9.399 0.161 1.00 0.00 C ATOM 707 O LEU A 43 6.082 9.704 0.094 1.00 0.00 O ATOM 708 CB LEU A 43 3.477 7.592 -0.841 1.00 0.00 C ATOM 709 CG LEU A 43 3.249 6.080 -0.878 1.00 0.00 C ATOM 710 CD1 LEU A 43 4.598 5.360 -0.919 1.00 0.00 C ATOM 711 CD2 LEU A 43 2.480 5.653 0.374 1.00 0.00 C ATOM 0 H LEU A 43 2.719 7.848 1.485 1.00 0.00 H new ATOM 0 HA LEU A 43 5.377 7.329 0.207 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.533 8.108 -0.668 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.856 7.936 -1.803 1.00 0.00 H new ATOM 0 HG LEU A 43 2.673 5.820 -1.766 1.00 0.00 H new ATOM 0 HD11 LEU A 43 4.435 4.283 -0.945 1.00 0.00 H new ATOM 0 HD12 LEU A 43 5.147 5.666 -1.810 1.00 0.00 H new ATOM 0 HD13 LEU A 43 5.175 5.618 -0.031 1.00 0.00 H new ATOM 0 HD21 LEU A 43 2.316 4.576 0.350 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.057 5.913 1.262 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.519 6.166 0.403 1.00 0.00 H new ATOM 723 N GLY A 44 3.971 10.307 0.142 1.00 0.00 N ATOM 724 CA GLY A 44 4.334 11.750 0.037 1.00 0.00 C ATOM 725 C GLY A 44 4.984 12.012 -1.323 1.00 0.00 C ATOM 726 O GLY A 44 6.072 12.546 -1.410 1.00 0.00 O ATOM 0 H GLY A 44 2.971 10.113 0.195 1.00 0.00 H new ATOM 0 HA2 GLY A 44 3.445 12.370 0.153 1.00 0.00 H new ATOM 0 HA3 GLY A 44 5.020 12.023 0.839 1.00 0.00 H new ATOM 730 N LEU A 45 4.326 11.636 -2.386 1.00 0.00 N ATOM 731 CA LEU A 45 4.905 11.857 -3.742 1.00 0.00 C ATOM 732 C LEU A 45 5.361 13.310 -3.899 1.00 0.00 C ATOM 733 O LEU A 45 5.067 14.156 -3.079 1.00 0.00 O ATOM 734 CB LEU A 45 3.768 11.547 -4.716 1.00 0.00 C ATOM 735 CG LEU A 45 4.029 10.199 -5.390 1.00 0.00 C ATOM 736 CD1 LEU A 45 3.120 9.135 -4.773 1.00 0.00 C ATOM 737 CD2 LEU A 45 3.735 10.312 -6.888 1.00 0.00 C ATOM 0 H LEU A 45 3.411 11.185 -2.374 1.00 0.00 H new ATOM 0 HA LEU A 45 5.779 11.230 -3.920 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.816 11.522 -4.185 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.694 12.333 -5.467 1.00 0.00 H new ATOM 0 HG LEU A 45 5.071 9.916 -5.243 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.306 8.174 -5.253 1.00 0.00 H new ATOM 0 HD12 LEU A 45 3.328 9.053 -3.706 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.078 9.418 -4.919 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.921 9.352 -7.369 1.00 0.00 H new ATOM 0 HD22 LEU A 45 2.693 10.595 -7.034 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.382 11.070 -7.330 1.00 0.00 H new ATOM 749 N ARG A 46 6.078 13.604 -4.948 1.00 0.00 N ATOM 750 CA ARG A 46 6.555 14.999 -5.162 1.00 0.00 C ATOM 751 C ARG A 46 5.578 15.760 -6.063 1.00 0.00 C ATOM 752 O ARG A 46 4.377 15.615 -5.953 1.00 0.00 O ATOM 753 CB ARG A 46 7.915 14.850 -5.844 1.00 0.00 C ATOM 754 CG ARG A 46 8.802 13.918 -5.015 1.00 0.00 C ATOM 755 CD ARG A 46 9.866 14.740 -4.284 1.00 0.00 C ATOM 756 NE ARG A 46 11.090 13.893 -4.311 1.00 0.00 N ATOM 757 CZ ARG A 46 12.210 14.345 -3.817 1.00 0.00 C ATOM 758 NH1 ARG A 46 12.541 15.596 -3.987 1.00 0.00 N ATOM 759 NH2 ARG A 46 12.998 13.546 -3.152 1.00 0.00 N ATOM 0 H ARG A 46 6.355 12.937 -5.668 1.00 0.00 H new ATOM 0 HA ARG A 46 6.627 15.560 -4.231 1.00 0.00 H new ATOM 0 HB2 ARG A 46 7.788 14.449 -6.850 1.00 0.00 H new ATOM 0 HB3 ARG A 46 8.391 15.825 -5.948 1.00 0.00 H new ATOM 0 HG2 ARG A 46 8.196 13.367 -4.296 1.00 0.00 H new ATOM 0 HG3 ARG A 46 9.278 13.181 -5.662 1.00 0.00 H new ATOM 0 HD2 ARG A 46 10.036 15.696 -4.779 1.00 0.00 H new ATOM 0 HD3 ARG A 46 9.561 14.961 -3.261 1.00 0.00 H new ATOM 0 HE ARG A 46 11.053 12.958 -4.716 1.00 0.00 H new ATOM 0 HH11 ARG A 46 11.924 16.221 -4.506 1.00 0.00 H new ATOM 0 HH12 ARG A 46 13.417 15.949 -3.601 1.00 0.00 H new ATOM 0 HH21 ARG A 46 12.739 12.569 -3.018 1.00 0.00 H new ATOM 0 HH22 ARG A 46 13.874 13.899 -2.766 1.00 0.00 H new ATOM 773 N ARG A 47 6.083 16.572 -6.952 1.00 0.00 N ATOM 774 CA ARG A 47 5.181 17.342 -7.856 1.00 0.00 C ATOM 775 C ARG A 47 5.243 16.776 -9.276 1.00 0.00 C ATOM 776 O ARG A 47 6.209 16.964 -9.989 1.00 0.00 O ATOM 777 CB ARG A 47 5.717 18.773 -7.821 1.00 0.00 C ATOM 778 CG ARG A 47 5.801 19.248 -6.368 1.00 0.00 C ATOM 779 CD ARG A 47 7.200 19.802 -6.089 1.00 0.00 C ATOM 780 NE ARG A 47 7.052 21.281 -6.182 1.00 0.00 N ATOM 781 CZ ARG A 47 7.667 22.053 -5.328 1.00 0.00 C ATOM 782 NH1 ARG A 47 7.731 21.715 -4.070 1.00 0.00 N ATOM 783 NH2 ARG A 47 8.218 23.164 -5.734 1.00 0.00 N ATOM 0 H ARG A 47 7.080 16.735 -7.091 1.00 0.00 H new ATOM 0 HA ARG A 47 4.138 17.290 -7.543 1.00 0.00 H new ATOM 0 HB2 ARG A 47 6.701 18.816 -8.287 1.00 0.00 H new ATOM 0 HB3 ARG A 47 5.064 19.432 -8.394 1.00 0.00 H new ATOM 0 HG2 ARG A 47 5.051 20.017 -6.182 1.00 0.00 H new ATOM 0 HG3 ARG A 47 5.585 18.421 -5.691 1.00 0.00 H new ATOM 0 HD2 ARG A 47 7.554 19.502 -5.103 1.00 0.00 H new ATOM 0 HD3 ARG A 47 7.924 19.431 -6.815 1.00 0.00 H new ATOM 0 HE ARG A 47 6.470 21.691 -6.913 1.00 0.00 H new ATOM 0 HH11 ARG A 47 7.300 20.847 -3.753 1.00 0.00 H new ATOM 0 HH12 ARG A 47 8.212 22.319 -3.403 1.00 0.00 H new ATOM 0 HH21 ARG A 47 8.168 23.428 -6.718 1.00 0.00 H new ATOM 0 HH22 ARG A 47 8.699 23.768 -5.067 1.00 0.00 H new ATOM 797 N LEU A 48 4.219 16.080 -9.692 1.00 0.00 N ATOM 798 CA LEU A 48 4.212 15.497 -11.063 1.00 0.00 C ATOM 799 C LEU A 48 3.711 16.514 -12.084 1.00 0.00 C ATOM 800 O LEU A 48 3.036 16.179 -13.037 1.00 0.00 O ATOM 801 CB LEU A 48 3.252 14.318 -10.976 1.00 0.00 C ATOM 802 CG LEU A 48 3.744 13.298 -9.940 1.00 0.00 C ATOM 803 CD1 LEU A 48 5.270 13.172 -9.998 1.00 0.00 C ATOM 804 CD2 LEU A 48 3.323 13.734 -8.533 1.00 0.00 C ATOM 0 H LEU A 48 3.384 15.890 -9.138 1.00 0.00 H new ATOM 0 HA LEU A 48 5.210 15.200 -11.385 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.257 14.671 -10.703 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.164 13.840 -11.952 1.00 0.00 H new ATOM 0 HG LEU A 48 3.297 12.331 -10.169 1.00 0.00 H new ATOM 0 HD11 LEU A 48 5.603 12.445 -9.257 1.00 0.00 H new ATOM 0 HD12 LEU A 48 5.570 12.841 -10.992 1.00 0.00 H new ATOM 0 HD13 LEU A 48 5.723 14.140 -9.786 1.00 0.00 H new ATOM 0 HD21 LEU A 48 3.677 13.004 -7.805 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.756 14.709 -8.309 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.236 13.800 -8.482 1.00 0.00 H new ATOM 816 N ALA A 49 4.042 17.746 -11.889 1.00 0.00 N ATOM 817 CA ALA A 49 3.598 18.805 -12.840 1.00 0.00 C ATOM 818 C ALA A 49 4.638 18.988 -13.945 1.00 0.00 C ATOM 819 O ALA A 49 5.824 19.037 -13.688 1.00 0.00 O ATOM 820 CB ALA A 49 3.482 20.074 -11.994 1.00 0.00 C ATOM 0 H ALA A 49 4.606 18.078 -11.107 1.00 0.00 H new ATOM 0 HA ALA A 49 2.656 18.555 -13.328 1.00 0.00 H new ATOM 0 HB1 ALA A 49 3.159 20.903 -12.624 1.00 0.00 H new ATOM 0 HB2 ALA A 49 2.753 19.916 -11.199 1.00 0.00 H new ATOM 0 HB3 ALA A 49 4.452 20.309 -11.555 1.00 0.00 H new ATOM 826 N TYR A 50 4.210 19.093 -15.174 1.00 0.00 N ATOM 827 CA TYR A 50 5.189 19.274 -16.279 1.00 0.00 C ATOM 828 C TYR A 50 6.240 20.317 -15.877 1.00 0.00 C ATOM 829 O TYR A 50 7.394 19.985 -15.689 1.00 0.00 O ATOM 830 CB TYR A 50 4.365 19.750 -17.479 1.00 0.00 C ATOM 831 CG TYR A 50 3.988 18.565 -18.334 1.00 0.00 C ATOM 832 CD1 TYR A 50 3.429 17.425 -17.743 1.00 0.00 C ATOM 833 CD2 TYR A 50 4.201 18.605 -19.717 1.00 0.00 C ATOM 834 CE1 TYR A 50 3.082 16.325 -18.537 1.00 0.00 C ATOM 835 CE2 TYR A 50 3.853 17.505 -20.509 1.00 0.00 C ATOM 836 CZ TYR A 50 3.294 16.365 -19.920 1.00 0.00 C ATOM 837 OH TYR A 50 2.952 15.281 -20.702 1.00 0.00 O ATOM 0 H TYR A 50 3.231 19.061 -15.458 1.00 0.00 H new ATOM 0 HA TYR A 50 5.729 18.356 -16.513 1.00 0.00 H new ATOM 0 HB2 TYR A 50 3.467 20.264 -17.136 1.00 0.00 H new ATOM 0 HB3 TYR A 50 4.939 20.467 -18.066 1.00 0.00 H new ATOM 0 HD1 TYR A 50 3.266 17.394 -16.676 1.00 0.00 H new ATOM 0 HD2 TYR A 50 4.633 19.484 -20.172 1.00 0.00 H new ATOM 0 HE1 TYR A 50 2.651 15.446 -18.082 1.00 0.00 H new ATOM 0 HE2 TYR A 50 4.016 17.536 -21.576 1.00 0.00 H new ATOM 0 HH TYR A 50 3.164 15.474 -21.639 1.00 0.00 H new ATOM 847 N PRO A 51 5.810 21.548 -15.747 1.00 0.00 N ATOM 848 CA PRO A 51 6.738 22.636 -15.350 1.00 0.00 C ATOM 849 C PRO A 51 7.191 22.438 -13.903 1.00 0.00 C ATOM 850 O PRO A 51 6.445 21.963 -13.070 1.00 0.00 O ATOM 851 CB PRO A 51 5.897 23.901 -15.500 1.00 0.00 C ATOM 852 CG PRO A 51 4.486 23.435 -15.368 1.00 0.00 C ATOM 853 CD PRO A 51 4.440 22.041 -15.936 1.00 0.00 C ATOM 0 HA PRO A 51 7.647 22.671 -15.950 1.00 0.00 H new ATOM 0 HB2 PRO A 51 6.145 24.635 -14.733 1.00 0.00 H new ATOM 0 HB3 PRO A 51 6.068 24.378 -16.465 1.00 0.00 H new ATOM 0 HG2 PRO A 51 4.172 23.439 -14.324 1.00 0.00 H new ATOM 0 HG3 PRO A 51 3.807 24.096 -15.907 1.00 0.00 H new ATOM 0 HD2 PRO A 51 3.714 21.418 -15.413 1.00 0.00 H new ATOM 0 HD3 PRO A 51 4.157 22.046 -16.989 1.00 0.00 H new ATOM 861 N ILE A 52 8.403 22.800 -13.593 1.00 0.00 N ATOM 862 CA ILE A 52 8.888 22.631 -12.193 1.00 0.00 C ATOM 863 C ILE A 52 9.065 24.000 -11.532 1.00 0.00 C ATOM 864 O ILE A 52 9.984 24.734 -11.838 1.00 0.00 O ATOM 865 CB ILE A 52 10.234 21.917 -12.314 1.00 0.00 C ATOM 866 CG1 ILE A 52 10.139 20.808 -13.365 1.00 0.00 C ATOM 867 CG2 ILE A 52 10.607 21.302 -10.964 1.00 0.00 C ATOM 868 CD1 ILE A 52 11.517 20.175 -13.563 1.00 0.00 C ATOM 0 H ILE A 52 9.077 23.204 -14.243 1.00 0.00 H new ATOM 0 HA ILE A 52 8.186 22.066 -11.580 1.00 0.00 H new ATOM 0 HB ILE A 52 10.996 22.636 -12.614 1.00 0.00 H new ATOM 0 HG12 ILE A 52 9.422 20.051 -13.047 1.00 0.00 H new ATOM 0 HG13 ILE A 52 9.775 21.216 -14.308 1.00 0.00 H new ATOM 0 HG21 ILE A 52 11.567 20.792 -11.049 1.00 0.00 H new ATOM 0 HG22 ILE A 52 10.679 22.089 -10.213 1.00 0.00 H new ATOM 0 HG23 ILE A 52 9.841 20.586 -10.666 1.00 0.00 H new ATOM 0 HD11 ILE A 52 11.450 19.385 -14.311 1.00 0.00 H new ATOM 0 HD12 ILE A 52 12.222 20.935 -13.900 1.00 0.00 H new ATOM 0 HD13 ILE A 52 11.862 19.753 -12.619 1.00 0.00 H new ATOM 880 N ALA A 53 8.192 24.349 -10.627 1.00 0.00 N ATOM 881 CA ALA A 53 8.313 25.670 -9.949 1.00 0.00 C ATOM 882 C ALA A 53 7.199 25.839 -8.915 1.00 0.00 C ATOM 883 O ALA A 53 6.057 26.073 -9.257 1.00 0.00 O ATOM 884 CB ALA A 53 8.165 26.705 -11.065 1.00 0.00 C ATOM 0 H ALA A 53 7.402 23.777 -10.328 1.00 0.00 H new ATOM 0 HA ALA A 53 9.259 25.774 -9.418 1.00 0.00 H new ATOM 0 HB1 ALA A 53 8.243 27.707 -10.644 1.00 0.00 H new ATOM 0 HB2 ALA A 53 8.953 26.559 -11.803 1.00 0.00 H new ATOM 0 HB3 ALA A 53 7.193 26.587 -11.544 1.00 0.00 H new ATOM 890 N LYS A 54 7.528 25.727 -7.654 1.00 0.00 N ATOM 891 CA LYS A 54 6.500 25.884 -6.581 1.00 0.00 C ATOM 892 C LYS A 54 5.165 25.270 -7.013 1.00 0.00 C ATOM 893 O LYS A 54 4.135 25.915 -6.989 1.00 0.00 O ATOM 894 CB LYS A 54 6.366 27.397 -6.377 1.00 0.00 C ATOM 895 CG LYS A 54 5.853 28.054 -7.661 1.00 0.00 C ATOM 896 CD LYS A 54 5.460 29.505 -7.379 1.00 0.00 C ATOM 897 CE LYS A 54 5.736 30.357 -8.620 1.00 0.00 C ATOM 898 NZ LYS A 54 4.954 29.708 -9.710 1.00 0.00 N ATOM 0 H LYS A 54 8.471 25.532 -7.319 1.00 0.00 H new ATOM 0 HA LYS A 54 6.787 25.374 -5.662 1.00 0.00 H new ATOM 0 HB2 LYS A 54 5.681 27.602 -5.555 1.00 0.00 H new ATOM 0 HB3 LYS A 54 7.331 27.822 -6.101 1.00 0.00 H new ATOM 0 HG2 LYS A 54 6.624 28.019 -8.431 1.00 0.00 H new ATOM 0 HG3 LYS A 54 4.994 27.503 -8.044 1.00 0.00 H new ATOM 0 HD2 LYS A 54 4.405 29.562 -7.112 1.00 0.00 H new ATOM 0 HD3 LYS A 54 6.025 29.888 -6.529 1.00 0.00 H new ATOM 0 HE2 LYS A 54 5.422 31.390 -8.469 1.00 0.00 H new ATOM 0 HE3 LYS A 54 6.800 30.379 -8.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 4.735 30.410 -10.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 5.512 28.935 -10.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 4.068 29.326 -9.322 1.00 0.00 H new ATOM 912 N ASP A 55 5.173 24.025 -7.403 1.00 0.00 N ATOM 913 CA ASP A 55 3.904 23.369 -7.832 1.00 0.00 C ATOM 914 C ASP A 55 3.407 22.411 -6.745 1.00 0.00 C ATOM 915 O ASP A 55 4.148 22.042 -5.857 1.00 0.00 O ATOM 916 CB ASP A 55 4.266 22.600 -9.103 1.00 0.00 C ATOM 917 CG ASP A 55 3.568 23.240 -10.305 1.00 0.00 C ATOM 918 OD1 ASP A 55 4.096 24.209 -10.825 1.00 0.00 O ATOM 919 OD2 ASP A 55 2.516 22.751 -10.683 1.00 0.00 O ATOM 0 H ASP A 55 6.003 23.433 -7.443 1.00 0.00 H new ATOM 0 HA ASP A 55 3.105 24.090 -8.006 1.00 0.00 H new ATOM 0 HB2 ASP A 55 5.346 22.608 -9.250 1.00 0.00 H new ATOM 0 HB3 ASP A 55 3.965 21.557 -9.007 1.00 0.00 H new ATOM 924 N PRO A 56 2.160 22.041 -6.857 1.00 0.00 N ATOM 925 CA PRO A 56 1.546 21.117 -5.872 1.00 0.00 C ATOM 926 C PRO A 56 2.047 19.686 -6.094 1.00 0.00 C ATOM 927 O PRO A 56 2.600 19.364 -7.127 1.00 0.00 O ATOM 928 CB PRO A 56 0.054 21.221 -6.168 1.00 0.00 C ATOM 929 CG PRO A 56 -0.032 21.656 -7.597 1.00 0.00 C ATOM 930 CD PRO A 56 1.214 22.447 -7.901 1.00 0.00 C ATOM 0 HA PRO A 56 1.791 21.367 -4.840 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -0.445 20.264 -6.017 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -0.429 21.941 -5.507 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -0.109 20.792 -8.257 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -0.922 22.263 -7.761 1.00 0.00 H new ATOM 0 HD2 PRO A 56 1.597 22.220 -8.896 1.00 0.00 H new ATOM 0 HD3 PRO A 56 1.023 23.520 -7.870 1.00 0.00 H new ATOM 938 N GLN A 57 1.856 18.826 -5.131 1.00 0.00 N ATOM 939 CA GLN A 57 2.319 17.418 -5.284 1.00 0.00 C ATOM 940 C GLN A 57 1.143 16.453 -5.119 1.00 0.00 C ATOM 941 O GLN A 57 0.033 16.855 -4.834 1.00 0.00 O ATOM 942 CB GLN A 57 3.339 17.214 -4.163 1.00 0.00 C ATOM 943 CG GLN A 57 2.790 17.794 -2.857 1.00 0.00 C ATOM 944 CD GLN A 57 3.403 19.175 -2.616 1.00 0.00 C ATOM 945 OE1 GLN A 57 4.223 19.632 -3.386 1.00 0.00 O ATOM 946 NE2 GLN A 57 3.036 19.864 -1.570 1.00 0.00 N ATOM 0 H GLN A 57 1.399 19.038 -4.244 1.00 0.00 H new ATOM 0 HA GLN A 57 2.749 17.229 -6.268 1.00 0.00 H new ATOM 0 HB2 GLN A 57 3.552 16.152 -4.040 1.00 0.00 H new ATOM 0 HB3 GLN A 57 4.280 17.700 -4.421 1.00 0.00 H new ATOM 0 HG2 GLN A 57 1.704 17.870 -2.908 1.00 0.00 H new ATOM 0 HG3 GLN A 57 3.024 17.130 -2.025 1.00 0.00 H new ATOM 0 HE21 GLN A 57 2.347 19.481 -0.923 1.00 0.00 H new ATOM 0 HE22 GLN A 57 3.438 20.786 -1.400 1.00 0.00 H new ATOM 955 N GLY A 58 1.378 15.182 -5.292 1.00 0.00 N ATOM 956 CA GLY A 58 0.273 14.193 -5.142 1.00 0.00 C ATOM 957 C GLY A 58 0.415 13.469 -3.803 1.00 0.00 C ATOM 958 O GLY A 58 1.477 12.990 -3.457 1.00 0.00 O ATOM 0 H GLY A 58 2.287 14.785 -5.531 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -0.691 14.699 -5.194 1.00 0.00 H new ATOM 0 HA3 GLY A 58 0.300 13.474 -5.961 1.00 0.00 H new ATOM 962 N TYR A 59 -0.644 13.384 -3.046 1.00 0.00 N ATOM 963 CA TYR A 59 -0.561 12.688 -1.729 1.00 0.00 C ATOM 964 C TYR A 59 -0.933 11.213 -1.886 1.00 0.00 C ATOM 965 O TYR A 59 -2.054 10.876 -2.212 1.00 0.00 O ATOM 966 CB TYR A 59 -1.573 13.404 -0.835 1.00 0.00 C ATOM 967 CG TYR A 59 -1.013 13.519 0.562 1.00 0.00 C ATOM 968 CD1 TYR A 59 -0.197 12.504 1.075 1.00 0.00 C ATOM 969 CD2 TYR A 59 -1.309 14.642 1.346 1.00 0.00 C ATOM 970 CE1 TYR A 59 0.323 12.609 2.370 1.00 0.00 C ATOM 971 CE2 TYR A 59 -0.789 14.747 2.642 1.00 0.00 C ATOM 972 CZ TYR A 59 0.027 13.730 3.154 1.00 0.00 C ATOM 973 OH TYR A 59 0.540 13.835 4.431 1.00 0.00 O ATOM 0 H TYR A 59 -1.561 13.765 -3.280 1.00 0.00 H new ATOM 0 HA TYR A 59 0.445 12.719 -1.310 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -1.791 14.395 -1.234 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -2.513 12.853 -0.818 1.00 0.00 H new ATOM 0 HD1 TYR A 59 0.032 11.639 0.471 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -1.938 15.426 0.951 1.00 0.00 H new ATOM 0 HE1 TYR A 59 0.953 11.825 2.764 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -1.017 15.612 3.247 1.00 0.00 H new ATOM 0 HH TYR A 59 0.238 14.675 4.837 1.00 0.00 H new ATOM 983 N PHE A 60 -0.002 10.328 -1.656 1.00 0.00 N ATOM 984 CA PHE A 60 -0.303 8.876 -1.793 1.00 0.00 C ATOM 985 C PHE A 60 -0.303 8.202 -0.418 1.00 0.00 C ATOM 986 O PHE A 60 0.645 8.310 0.334 1.00 0.00 O ATOM 987 CB PHE A 60 0.829 8.317 -2.658 1.00 0.00 C ATOM 988 CG PHE A 60 0.335 8.108 -4.068 1.00 0.00 C ATOM 989 CD1 PHE A 60 -0.275 9.161 -4.760 1.00 0.00 C ATOM 990 CD2 PHE A 60 0.492 6.862 -4.688 1.00 0.00 C ATOM 991 CE1 PHE A 60 -0.728 8.968 -6.069 1.00 0.00 C ATOM 992 CE2 PHE A 60 0.039 6.669 -5.998 1.00 0.00 C ATOM 993 CZ PHE A 60 -0.572 7.723 -6.689 1.00 0.00 C ATOM 0 H PHE A 60 0.955 10.549 -1.379 1.00 0.00 H new ATOM 0 HA PHE A 60 -1.284 8.699 -2.235 1.00 0.00 H new ATOM 0 HB2 PHE A 60 1.674 9.005 -2.657 1.00 0.00 H new ATOM 0 HB3 PHE A 60 1.185 7.374 -2.243 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -0.396 10.122 -4.283 1.00 0.00 H new ATOM 0 HD2 PHE A 60 0.963 6.049 -4.155 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -1.199 9.781 -6.602 1.00 0.00 H new ATOM 0 HE2 PHE A 60 0.160 5.708 -6.476 1.00 0.00 H new ATOM 0 HZ PHE A 60 -0.923 7.575 -7.700 1.00 0.00 H new ATOM 1003 N LEU A 61 -1.354 7.505 -0.085 1.00 0.00 N ATOM 1004 CA LEU A 61 -1.404 6.825 1.240 1.00 0.00 C ATOM 1005 C LEU A 61 -1.504 5.312 1.052 1.00 0.00 C ATOM 1006 O LEU A 61 -2.096 4.828 0.108 1.00 0.00 O ATOM 1007 CB LEU A 61 -2.658 7.348 1.942 1.00 0.00 C ATOM 1008 CG LEU A 61 -2.856 8.835 1.635 1.00 0.00 C ATOM 1009 CD1 LEU A 61 -4.206 9.293 2.187 1.00 0.00 C ATOM 1010 CD2 LEU A 61 -1.736 9.643 2.295 1.00 0.00 C ATOM 0 H LEU A 61 -2.179 7.377 -0.671 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.506 7.027 1.823 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.530 6.782 1.613 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.569 7.200 3.018 1.00 0.00 H new ATOM 0 HG LEU A 61 -2.832 8.991 0.556 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -4.348 10.352 1.969 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -5.005 8.716 1.720 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -4.229 9.138 3.266 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -1.875 10.702 2.078 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -1.762 9.487 3.374 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -0.772 9.316 1.904 1.00 0.00 H new ATOM 1022 N TRP A 62 -0.927 4.567 1.946 1.00 0.00 N ATOM 1023 CA TRP A 62 -0.975 3.085 1.839 1.00 0.00 C ATOM 1024 C TRP A 62 -1.530 2.494 3.136 1.00 0.00 C ATOM 1025 O TRP A 62 -1.183 2.926 4.218 1.00 0.00 O ATOM 1026 CB TRP A 62 0.481 2.669 1.642 1.00 0.00 C ATOM 1027 CG TRP A 62 0.617 1.884 0.380 1.00 0.00 C ATOM 1028 CD1 TRP A 62 -0.143 2.043 -0.728 1.00 0.00 C ATOM 1029 CD2 TRP A 62 1.562 0.822 0.080 1.00 0.00 C ATOM 1030 NE1 TRP A 62 0.279 1.142 -1.691 1.00 0.00 N ATOM 1031 CE2 TRP A 62 1.329 0.366 -1.238 1.00 0.00 C ATOM 1032 CE3 TRP A 62 2.590 0.217 0.821 1.00 0.00 C ATOM 1033 CZ2 TRP A 62 2.090 -0.657 -1.801 1.00 0.00 C ATOM 1034 CZ3 TRP A 62 3.360 -0.813 0.258 1.00 0.00 C ATOM 1035 CH2 TRP A 62 3.111 -1.250 -1.051 1.00 0.00 C ATOM 0 H TRP A 62 -0.419 4.924 2.755 1.00 0.00 H new ATOM 0 HA TRP A 62 -1.614 2.738 1.027 1.00 0.00 H new ATOM 0 HB2 TRP A 62 1.119 3.552 1.602 1.00 0.00 H new ATOM 0 HB3 TRP A 62 0.816 2.072 2.490 1.00 0.00 H new ATOM 0 HD1 TRP A 62 -0.947 2.755 -0.842 1.00 0.00 H new ATOM 0 HE1 TRP A 62 -0.134 1.061 -2.620 1.00 0.00 H new ATOM 0 HE3 TRP A 62 2.789 0.546 1.830 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 1.893 -0.990 -2.809 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 4.149 -1.271 0.836 1.00 0.00 H new ATOM 0 HH2 TRP A 62 3.706 -2.043 -1.479 1.00 0.00 H new ATOM 1046 N TYR A 63 -2.388 1.515 3.048 1.00 0.00 N ATOM 1047 CA TYR A 63 -2.949 0.919 4.289 1.00 0.00 C ATOM 1048 C TYR A 63 -2.970 -0.605 4.182 1.00 0.00 C ATOM 1049 O TYR A 63 -3.485 -1.162 3.234 1.00 0.00 O ATOM 1050 CB TYR A 63 -4.374 1.467 4.382 1.00 0.00 C ATOM 1051 CG TYR A 63 -4.374 2.756 5.169 1.00 0.00 C ATOM 1052 CD1 TYR A 63 -3.962 3.947 4.560 1.00 0.00 C ATOM 1053 CD2 TYR A 63 -4.786 2.760 6.506 1.00 0.00 C ATOM 1054 CE1 TYR A 63 -3.964 5.143 5.289 1.00 0.00 C ATOM 1055 CE2 TYR A 63 -4.788 3.956 7.235 1.00 0.00 C ATOM 1056 CZ TYR A 63 -4.377 5.147 6.626 1.00 0.00 C ATOM 1057 OH TYR A 63 -4.379 6.326 7.344 1.00 0.00 O ATOM 0 H TYR A 63 -2.722 1.105 2.176 1.00 0.00 H new ATOM 0 HA TYR A 63 -2.356 1.168 5.169 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -4.773 1.640 3.383 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -5.024 0.736 4.863 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -3.643 3.944 3.528 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -5.103 1.841 6.976 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -3.647 6.062 4.819 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -5.107 3.959 8.267 1.00 0.00 H new ATOM 0 HH TYR A 63 -5.087 6.295 8.021 1.00 0.00 H new ATOM 1067 N GLN A 64 -2.432 -1.286 5.155 1.00 0.00 N ATOM 1068 CA GLN A 64 -2.449 -2.773 5.107 1.00 0.00 C ATOM 1069 C GLN A 64 -3.693 -3.262 5.843 1.00 0.00 C ATOM 1070 O GLN A 64 -3.895 -2.966 7.003 1.00 0.00 O ATOM 1071 CB GLN A 64 -1.176 -3.223 5.825 1.00 0.00 C ATOM 1072 CG GLN A 64 0.044 -2.592 5.150 1.00 0.00 C ATOM 1073 CD GLN A 64 0.739 -3.634 4.272 1.00 0.00 C ATOM 1074 OE1 GLN A 64 0.093 -4.479 3.686 1.00 0.00 O ATOM 1075 NE2 GLN A 64 2.038 -3.608 4.156 1.00 0.00 N ATOM 0 H GLN A 64 -1.984 -0.880 5.976 1.00 0.00 H new ATOM 0 HA GLN A 64 -2.479 -3.170 4.092 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -1.216 -2.931 6.874 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -1.097 -4.310 5.800 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -0.263 -1.738 4.546 1.00 0.00 H new ATOM 0 HG3 GLN A 64 0.736 -2.217 5.904 1.00 0.00 H new ATOM 0 HE21 GLN A 64 2.580 -2.898 4.648 1.00 0.00 H new ATOM 0 HE22 GLN A 64 2.512 -4.298 3.573 1.00 0.00 H new ATOM 1084 N VAL A 65 -4.549 -3.970 5.169 1.00 0.00 N ATOM 1085 CA VAL A 65 -5.801 -4.429 5.818 1.00 0.00 C ATOM 1086 C VAL A 65 -5.922 -5.953 5.780 1.00 0.00 C ATOM 1087 O VAL A 65 -5.155 -6.633 5.129 1.00 0.00 O ATOM 1088 CB VAL A 65 -6.889 -3.785 4.966 1.00 0.00 C ATOM 1089 CG1 VAL A 65 -6.672 -2.274 4.931 1.00 0.00 C ATOM 1090 CG2 VAL A 65 -6.795 -4.322 3.537 1.00 0.00 C ATOM 0 H VAL A 65 -4.435 -4.251 4.195 1.00 0.00 H new ATOM 0 HA VAL A 65 -5.854 -4.156 6.872 1.00 0.00 H new ATOM 0 HB VAL A 65 -7.866 -4.015 5.390 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -7.448 -1.809 4.323 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -6.719 -1.876 5.945 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -5.694 -2.057 4.500 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -7.571 -3.864 2.924 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -5.816 -4.082 3.122 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -6.930 -5.404 3.545 1.00 0.00 H new ATOM 1100 N GLU A 66 -6.890 -6.491 6.472 1.00 0.00 N ATOM 1101 CA GLU A 66 -7.078 -7.969 6.475 1.00 0.00 C ATOM 1102 C GLU A 66 -8.408 -8.313 5.807 1.00 0.00 C ATOM 1103 O GLU A 66 -9.177 -9.120 6.290 1.00 0.00 O ATOM 1104 CB GLU A 66 -7.085 -8.371 7.951 1.00 0.00 C ATOM 1105 CG GLU A 66 -8.352 -7.838 8.625 1.00 0.00 C ATOM 1106 CD GLU A 66 -9.056 -8.981 9.358 1.00 0.00 C ATOM 1107 OE1 GLU A 66 -8.709 -9.229 10.500 1.00 0.00 O ATOM 1108 OE2 GLU A 66 -9.930 -9.590 8.762 1.00 0.00 O ATOM 0 H GLU A 66 -7.560 -5.969 7.037 1.00 0.00 H new ATOM 0 HA GLU A 66 -6.296 -8.495 5.927 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -7.042 -9.456 8.042 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -6.201 -7.974 8.450 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -8.097 -7.044 9.326 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -9.019 -7.404 7.880 1.00 0.00 H new ATOM 1115 N MET A 67 -8.675 -7.692 4.696 1.00 0.00 N ATOM 1116 CA MET A 67 -9.949 -7.951 3.967 1.00 0.00 C ATOM 1117 C MET A 67 -9.675 -8.789 2.718 1.00 0.00 C ATOM 1118 O MET A 67 -8.567 -8.818 2.223 1.00 0.00 O ATOM 1119 CB MET A 67 -10.473 -6.567 3.580 1.00 0.00 C ATOM 1120 CG MET A 67 -11.551 -6.132 4.576 1.00 0.00 C ATOM 1121 SD MET A 67 -10.768 -5.603 6.119 1.00 0.00 S ATOM 1122 CE MET A 67 -12.023 -6.261 7.244 1.00 0.00 C ATOM 0 H MET A 67 -8.060 -7.008 4.255 1.00 0.00 H new ATOM 0 HA MET A 67 -10.669 -8.503 4.572 1.00 0.00 H new ATOM 0 HB2 MET A 67 -9.656 -5.846 3.574 1.00 0.00 H new ATOM 0 HB3 MET A 67 -10.884 -6.591 2.571 1.00 0.00 H new ATOM 0 HG2 MET A 67 -12.141 -5.317 4.157 1.00 0.00 H new ATOM 0 HG3 MET A 67 -12.238 -6.956 4.768 1.00 0.00 H new ATOM 0 HE1 MET A 67 -11.738 -6.044 8.274 1.00 0.00 H new ATOM 0 HE2 MET A 67 -12.985 -5.796 7.028 1.00 0.00 H new ATOM 0 HE3 MET A 67 -12.103 -7.340 7.109 1.00 0.00 H new ATOM 1132 N PRO A 68 -10.699 -9.446 2.248 1.00 0.00 N ATOM 1133 CA PRO A 68 -10.562 -10.296 1.041 1.00 0.00 C ATOM 1134 C PRO A 68 -10.259 -9.429 -0.183 1.00 0.00 C ATOM 1135 O PRO A 68 -10.153 -8.223 -0.089 1.00 0.00 O ATOM 1136 CB PRO A 68 -11.922 -10.986 0.933 1.00 0.00 C ATOM 1137 CG PRO A 68 -12.864 -10.086 1.664 1.00 0.00 C ATOM 1138 CD PRO A 68 -12.067 -9.451 2.775 1.00 0.00 C ATOM 0 HA PRO A 68 -9.744 -11.014 1.100 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -12.221 -11.111 -0.108 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -11.898 -11.980 1.379 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -13.274 -9.328 0.997 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -13.708 -10.648 2.063 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -12.417 -8.442 2.995 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -12.140 -10.023 3.700 1.00 0.00 H new ATOM 1146 N GLU A 69 -10.097 -10.031 -1.328 1.00 0.00 N ATOM 1147 CA GLU A 69 -9.777 -9.241 -2.547 1.00 0.00 C ATOM 1148 C GLU A 69 -11.004 -8.462 -3.040 1.00 0.00 C ATOM 1149 O GLU A 69 -10.874 -7.428 -3.661 1.00 0.00 O ATOM 1150 CB GLU A 69 -9.333 -10.294 -3.570 1.00 0.00 C ATOM 1151 CG GLU A 69 -9.563 -9.776 -4.989 1.00 0.00 C ATOM 1152 CD GLU A 69 -8.785 -10.637 -5.985 1.00 0.00 C ATOM 1153 OE1 GLU A 69 -9.062 -11.824 -6.058 1.00 0.00 O ATOM 1154 OE2 GLU A 69 -7.925 -10.095 -6.661 1.00 0.00 O ATOM 0 H GLU A 69 -10.173 -11.038 -1.471 1.00 0.00 H new ATOM 0 HA GLU A 69 -9.009 -8.489 -2.368 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -8.278 -10.530 -3.427 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -9.890 -11.219 -3.417 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -10.626 -9.799 -5.227 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -9.242 -8.737 -5.064 1.00 0.00 H new ATOM 1161 N ASP A 70 -12.190 -8.950 -2.793 1.00 0.00 N ATOM 1162 CA ASP A 70 -13.400 -8.219 -3.281 1.00 0.00 C ATOM 1163 C ASP A 70 -13.873 -7.172 -2.270 1.00 0.00 C ATOM 1164 O ASP A 70 -14.313 -6.102 -2.638 1.00 0.00 O ATOM 1165 CB ASP A 70 -14.466 -9.297 -3.473 1.00 0.00 C ATOM 1166 CG ASP A 70 -14.716 -9.510 -4.967 1.00 0.00 C ATOM 1167 OD1 ASP A 70 -13.911 -10.181 -5.591 1.00 0.00 O ATOM 1168 OD2 ASP A 70 -15.706 -8.998 -5.460 1.00 0.00 O ATOM 0 H ASP A 70 -12.375 -9.813 -2.281 1.00 0.00 H new ATOM 0 HA ASP A 70 -13.189 -7.674 -4.201 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -14.142 -10.230 -3.011 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -15.391 -9.001 -2.978 1.00 0.00 H new ATOM 1173 N ARG A 71 -13.803 -7.467 -1.005 1.00 0.00 N ATOM 1174 CA ARG A 71 -14.266 -6.485 0.007 1.00 0.00 C ATOM 1175 C ARG A 71 -13.466 -5.187 -0.099 1.00 0.00 C ATOM 1176 O ARG A 71 -13.880 -4.152 0.385 1.00 0.00 O ATOM 1177 CB ARG A 71 -14.016 -7.157 1.357 1.00 0.00 C ATOM 1178 CG ARG A 71 -14.417 -6.203 2.482 1.00 0.00 C ATOM 1179 CD ARG A 71 -15.200 -6.972 3.549 1.00 0.00 C ATOM 1180 NE ARG A 71 -16.378 -7.534 2.833 1.00 0.00 N ATOM 1181 CZ ARG A 71 -17.147 -8.406 3.425 1.00 0.00 C ATOM 1182 NH1 ARG A 71 -17.632 -8.151 4.609 1.00 0.00 N ATOM 1183 NH2 ARG A 71 -17.432 -9.535 2.833 1.00 0.00 N ATOM 0 H ARG A 71 -13.445 -8.345 -0.629 1.00 0.00 H new ATOM 0 HA ARG A 71 -15.314 -6.221 -0.131 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -14.590 -8.081 1.427 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -12.964 -7.427 1.452 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -13.529 -5.750 2.923 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -15.025 -5.390 2.085 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -14.593 -7.762 3.991 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -15.509 -6.315 4.362 1.00 0.00 H new ATOM 0 HE ARG A 71 -16.584 -7.237 1.879 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -17.410 -7.270 5.072 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -18.233 -8.833 5.072 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -17.053 -9.735 1.907 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -18.033 -10.216 3.296 1.00 0.00 H new ATOM 1197 N VAL A 72 -12.319 -5.228 -0.720 1.00 0.00 N ATOM 1198 CA VAL A 72 -11.501 -3.987 -0.838 1.00 0.00 C ATOM 1199 C VAL A 72 -12.161 -2.994 -1.796 1.00 0.00 C ATOM 1200 O VAL A 72 -12.272 -1.819 -1.507 1.00 0.00 O ATOM 1201 CB VAL A 72 -10.140 -4.446 -1.367 1.00 0.00 C ATOM 1202 CG1 VAL A 72 -10.208 -4.688 -2.875 1.00 0.00 C ATOM 1203 CG2 VAL A 72 -9.105 -3.364 -1.083 1.00 0.00 C ATOM 0 H VAL A 72 -11.915 -6.061 -1.148 1.00 0.00 H new ATOM 0 HA VAL A 72 -11.404 -3.470 0.117 1.00 0.00 H new ATOM 0 HB VAL A 72 -9.862 -5.376 -0.871 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -9.232 -5.014 -3.236 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -10.949 -5.459 -3.087 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -10.491 -3.764 -3.379 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -8.132 -3.684 -1.457 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -9.399 -2.440 -1.580 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -9.042 -3.194 -0.008 1.00 0.00 H new ATOM 1213 N ASN A 73 -12.599 -3.455 -2.931 1.00 0.00 N ATOM 1214 CA ASN A 73 -13.250 -2.537 -3.905 1.00 0.00 C ATOM 1215 C ASN A 73 -14.547 -1.988 -3.309 1.00 0.00 C ATOM 1216 O ASN A 73 -14.991 -0.908 -3.649 1.00 0.00 O ATOM 1217 CB ASN A 73 -13.544 -3.406 -5.130 1.00 0.00 C ATOM 1218 CG ASN A 73 -14.231 -2.563 -6.205 1.00 0.00 C ATOM 1219 OD1 ASN A 73 -13.934 -1.395 -6.361 1.00 0.00 O ATOM 1220 ND2 ASN A 73 -15.144 -3.110 -6.961 1.00 0.00 N ATOM 0 H ASN A 73 -12.535 -4.429 -3.228 1.00 0.00 H new ATOM 0 HA ASN A 73 -12.625 -1.681 -4.158 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -12.617 -3.827 -5.521 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -14.181 -4.245 -4.849 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -15.607 -2.557 -7.682 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -15.394 -4.090 -6.831 1.00 0.00 H new ATOM 1227 N ASP A 74 -15.162 -2.730 -2.431 1.00 0.00 N ATOM 1228 CA ASP A 74 -16.432 -2.266 -1.820 1.00 0.00 C ATOM 1229 C ASP A 74 -16.189 -1.093 -0.862 1.00 0.00 C ATOM 1230 O ASP A 74 -16.819 -0.060 -0.967 1.00 0.00 O ATOM 1231 CB ASP A 74 -16.954 -3.481 -1.053 1.00 0.00 C ATOM 1232 CG ASP A 74 -18.398 -3.230 -0.617 1.00 0.00 C ATOM 1233 OD1 ASP A 74 -19.169 -2.756 -1.436 1.00 0.00 O ATOM 1234 OD2 ASP A 74 -18.710 -3.518 0.526 1.00 0.00 O ATOM 0 H ASP A 74 -14.836 -3.642 -2.111 1.00 0.00 H new ATOM 0 HA ASP A 74 -17.138 -1.907 -2.569 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -16.902 -4.370 -1.681 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -16.328 -3.670 -0.181 1.00 0.00 H new ATOM 1239 N LEU A 75 -15.284 -1.240 0.070 1.00 0.00 N ATOM 1240 CA LEU A 75 -15.018 -0.123 1.025 1.00 0.00 C ATOM 1241 C LEU A 75 -14.269 1.018 0.325 1.00 0.00 C ATOM 1242 O LEU A 75 -14.410 2.173 0.675 1.00 0.00 O ATOM 1243 CB LEU A 75 -14.174 -0.740 2.140 1.00 0.00 C ATOM 1244 CG LEU A 75 -12.802 -1.128 1.595 1.00 0.00 C ATOM 1245 CD1 LEU A 75 -11.824 0.018 1.839 1.00 0.00 C ATOM 1246 CD2 LEU A 75 -12.308 -2.384 2.315 1.00 0.00 C ATOM 0 H LEU A 75 -14.721 -2.079 0.211 1.00 0.00 H new ATOM 0 HA LEU A 75 -15.938 0.312 1.416 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -14.062 -0.030 2.960 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -14.676 -1.618 2.545 1.00 0.00 H new ATOM 0 HG LEU A 75 -12.872 -1.327 0.526 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -10.842 -0.253 1.452 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -12.180 0.914 1.331 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -11.751 0.213 2.909 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -11.328 -2.664 1.928 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -12.232 -2.185 3.384 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -13.011 -3.200 2.147 1.00 0.00 H new ATOM 1258 N ALA A 76 -13.483 0.701 -0.668 1.00 0.00 N ATOM 1259 CA ALA A 76 -12.735 1.763 -1.404 1.00 0.00 C ATOM 1260 C ALA A 76 -13.730 2.650 -2.134 1.00 0.00 C ATOM 1261 O ALA A 76 -13.587 3.853 -2.223 1.00 0.00 O ATOM 1262 CB ALA A 76 -11.846 1.015 -2.398 1.00 0.00 C ATOM 0 H ALA A 76 -13.326 -0.250 -1.003 1.00 0.00 H new ATOM 0 HA ALA A 76 -12.143 2.399 -0.746 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -11.264 1.732 -2.977 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -11.171 0.353 -1.856 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -12.469 0.425 -3.071 1.00 0.00 H new ATOM 1268 N ARG A 77 -14.739 2.032 -2.663 1.00 0.00 N ATOM 1269 CA ARG A 77 -15.788 2.762 -3.416 1.00 0.00 C ATOM 1270 C ARG A 77 -16.408 3.869 -2.558 1.00 0.00 C ATOM 1271 O ARG A 77 -16.787 4.911 -3.056 1.00 0.00 O ATOM 1272 CB ARG A 77 -16.810 1.674 -3.718 1.00 0.00 C ATOM 1273 CG ARG A 77 -17.129 1.672 -5.215 1.00 0.00 C ATOM 1274 CD ARG A 77 -18.064 0.505 -5.538 1.00 0.00 C ATOM 1275 NE ARG A 77 -18.563 0.781 -6.913 1.00 0.00 N ATOM 1276 CZ ARG A 77 -18.238 -0.013 -7.896 1.00 0.00 C ATOM 1277 NH1 ARG A 77 -18.875 -1.138 -8.064 1.00 0.00 N ATOM 1278 NH2 ARG A 77 -17.271 0.316 -8.710 1.00 0.00 N ATOM 0 H ARG A 77 -14.885 1.024 -2.604 1.00 0.00 H new ATOM 0 HA ARG A 77 -15.409 3.259 -4.309 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -16.421 0.701 -3.417 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -17.719 1.845 -3.142 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -17.596 2.615 -5.499 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -16.209 1.585 -5.793 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -17.536 -0.448 -5.493 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -18.886 0.448 -4.824 1.00 0.00 H new ATOM 0 HE ARG A 77 -19.159 1.591 -7.087 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -19.628 -1.398 -7.427 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -18.621 -1.758 -8.833 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -16.769 1.194 -8.577 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -17.017 -0.305 -9.478 1.00 0.00 H new ATOM 1292 N GLU A 78 -16.513 3.660 -1.275 1.00 0.00 N ATOM 1293 CA GLU A 78 -17.103 4.705 -0.396 1.00 0.00 C ATOM 1294 C GLU A 78 -16.153 5.896 -0.320 1.00 0.00 C ATOM 1295 O GLU A 78 -16.536 7.038 -0.476 1.00 0.00 O ATOM 1296 CB GLU A 78 -17.250 3.996 0.960 1.00 0.00 C ATOM 1297 CG GLU A 78 -16.119 4.368 1.927 1.00 0.00 C ATOM 1298 CD GLU A 78 -16.472 3.886 3.335 1.00 0.00 C ATOM 1299 OE1 GLU A 78 -17.512 4.284 3.834 1.00 0.00 O ATOM 1300 OE2 GLU A 78 -15.696 3.128 3.891 1.00 0.00 O ATOM 0 H GLU A 78 -16.215 2.809 -0.798 1.00 0.00 H new ATOM 0 HA GLU A 78 -18.056 5.100 -0.748 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -18.209 4.260 1.405 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -17.256 2.917 0.806 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -15.183 3.915 1.600 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -15.967 5.447 1.928 1.00 0.00 H new ATOM 1307 N LEU A 79 -14.912 5.615 -0.078 1.00 0.00 N ATOM 1308 CA LEU A 79 -13.895 6.700 0.018 1.00 0.00 C ATOM 1309 C LEU A 79 -13.870 7.520 -1.276 1.00 0.00 C ATOM 1310 O LEU A 79 -13.638 8.711 -1.261 1.00 0.00 O ATOM 1311 CB LEU A 79 -12.565 5.976 0.220 1.00 0.00 C ATOM 1312 CG LEU A 79 -12.494 5.425 1.645 1.00 0.00 C ATOM 1313 CD1 LEU A 79 -11.333 4.433 1.753 1.00 0.00 C ATOM 1314 CD2 LEU A 79 -12.270 6.580 2.622 1.00 0.00 C ATOM 0 H LEU A 79 -14.549 4.672 0.060 1.00 0.00 H new ATOM 0 HA LEU A 79 -14.108 7.396 0.829 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -12.468 5.164 -0.500 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -11.736 6.661 0.042 1.00 0.00 H new ATOM 0 HG LEU A 79 -13.427 4.917 1.887 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -11.283 4.041 2.769 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -11.490 3.611 1.054 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -10.398 4.940 1.513 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -12.219 6.191 3.639 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -11.335 7.086 2.379 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -13.096 7.287 2.545 1.00 0.00 H new ATOM 1326 N ARG A 80 -14.102 6.893 -2.394 1.00 0.00 N ATOM 1327 CA ARG A 80 -14.086 7.638 -3.687 1.00 0.00 C ATOM 1328 C ARG A 80 -15.307 8.555 -3.795 1.00 0.00 C ATOM 1329 O ARG A 80 -15.297 9.534 -4.515 1.00 0.00 O ATOM 1330 CB ARG A 80 -14.139 6.559 -4.768 1.00 0.00 C ATOM 1331 CG ARG A 80 -14.229 7.220 -6.145 1.00 0.00 C ATOM 1332 CD ARG A 80 -15.681 7.199 -6.629 1.00 0.00 C ATOM 1333 NE ARG A 80 -15.805 8.385 -7.522 1.00 0.00 N ATOM 1334 CZ ARG A 80 -16.477 8.294 -8.638 1.00 0.00 C ATOM 1335 NH1 ARG A 80 -16.164 7.382 -9.516 1.00 0.00 N ATOM 1336 NH2 ARG A 80 -17.462 9.117 -8.874 1.00 0.00 N ATOM 0 H ARG A 80 -14.302 5.896 -2.471 1.00 0.00 H new ATOM 0 HA ARG A 80 -13.204 8.272 -3.780 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -13.251 5.930 -4.712 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -15.000 5.910 -4.607 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -13.868 8.247 -6.091 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -13.591 6.694 -6.855 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -15.906 6.276 -7.164 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -16.377 7.260 -5.792 1.00 0.00 H new ATOM 0 HE ARG A 80 -15.365 9.268 -7.262 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -15.394 6.739 -9.331 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -16.689 7.311 -10.387 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -17.706 9.830 -8.187 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -17.988 9.047 -9.745 1.00 0.00 H new ATOM 1350 N ILE A 81 -16.364 8.240 -3.099 1.00 0.00 N ATOM 1351 CA ILE A 81 -17.589 9.083 -3.176 1.00 0.00 C ATOM 1352 C ILE A 81 -17.403 10.400 -2.410 1.00 0.00 C ATOM 1353 O ILE A 81 -17.880 11.438 -2.827 1.00 0.00 O ATOM 1354 CB ILE A 81 -18.683 8.235 -2.529 1.00 0.00 C ATOM 1355 CG1 ILE A 81 -19.053 7.082 -3.466 1.00 0.00 C ATOM 1356 CG2 ILE A 81 -19.915 9.101 -2.277 1.00 0.00 C ATOM 1357 CD1 ILE A 81 -19.825 7.627 -4.669 1.00 0.00 C ATOM 0 H ILE A 81 -16.432 7.433 -2.479 1.00 0.00 H new ATOM 0 HA ILE A 81 -17.829 9.360 -4.202 1.00 0.00 H new ATOM 0 HB ILE A 81 -18.321 7.834 -1.582 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -18.152 6.569 -3.801 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -19.659 6.348 -2.935 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -20.696 8.497 -1.815 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -19.652 9.924 -1.612 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -20.278 9.502 -3.224 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -20.088 6.805 -5.335 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -20.734 8.120 -4.325 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -19.204 8.344 -5.205 1.00 0.00 H new ATOM 1369 N ARG A 82 -16.733 10.373 -1.289 1.00 0.00 N ATOM 1370 CA ARG A 82 -16.551 11.636 -0.510 1.00 0.00 C ATOM 1371 C ARG A 82 -15.740 12.662 -1.303 1.00 0.00 C ATOM 1372 O ARG A 82 -14.963 12.331 -2.175 1.00 0.00 O ATOM 1373 CB ARG A 82 -15.821 11.254 0.780 1.00 0.00 C ATOM 1374 CG ARG A 82 -14.701 10.248 0.497 1.00 0.00 C ATOM 1375 CD ARG A 82 -13.753 10.199 1.697 1.00 0.00 C ATOM 1376 NE ARG A 82 -14.437 9.325 2.689 1.00 0.00 N ATOM 1377 CZ ARG A 82 -14.736 9.789 3.871 1.00 0.00 C ATOM 1378 NH1 ARG A 82 -13.785 10.117 4.701 1.00 0.00 N ATOM 1379 NH2 ARG A 82 -15.987 9.924 4.221 1.00 0.00 N ATOM 0 H ARG A 82 -16.307 9.541 -0.881 1.00 0.00 H new ATOM 0 HA ARG A 82 -17.515 12.097 -0.296 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -15.404 12.147 1.245 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -16.529 10.826 1.490 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -15.122 9.260 0.310 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -14.155 10.537 -0.401 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -12.781 9.793 1.417 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -13.577 11.195 2.103 1.00 0.00 H new ATOM 0 HE ARG A 82 -14.672 8.363 2.444 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -12.809 10.011 4.426 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -14.018 10.480 5.625 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -16.729 9.667 3.570 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -16.222 10.287 5.145 1.00 0.00 H new ATOM 1393 N ASP A 83 -15.940 13.911 -0.994 1.00 0.00 N ATOM 1394 CA ASP A 83 -15.214 15.005 -1.708 1.00 0.00 C ATOM 1395 C ASP A 83 -13.738 15.053 -1.302 1.00 0.00 C ATOM 1396 O ASP A 83 -12.892 15.490 -2.058 1.00 0.00 O ATOM 1397 CB ASP A 83 -15.923 16.290 -1.281 1.00 0.00 C ATOM 1398 CG ASP A 83 -16.895 16.728 -2.379 1.00 0.00 C ATOM 1399 OD1 ASP A 83 -17.079 15.968 -3.317 1.00 0.00 O ATOM 1400 OD2 ASP A 83 -17.438 17.814 -2.265 1.00 0.00 O ATOM 0 H ASP A 83 -16.583 14.228 -0.268 1.00 0.00 H new ATOM 0 HA ASP A 83 -15.229 14.857 -2.788 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -16.462 16.127 -0.348 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -15.192 17.076 -1.094 1.00 0.00 H new ATOM 1405 N ASN A 84 -13.419 14.629 -0.111 1.00 0.00 N ATOM 1406 CA ASN A 84 -11.998 14.676 0.340 1.00 0.00 C ATOM 1407 C ASN A 84 -11.126 13.777 -0.538 1.00 0.00 C ATOM 1408 O ASN A 84 -9.948 14.019 -0.712 1.00 0.00 O ATOM 1409 CB ASN A 84 -12.022 14.156 1.778 1.00 0.00 C ATOM 1410 CG ASN A 84 -12.461 15.277 2.720 1.00 0.00 C ATOM 1411 OD1 ASN A 84 -13.550 15.244 3.258 1.00 0.00 O ATOM 1412 ND2 ASN A 84 -11.653 16.276 2.944 1.00 0.00 N ATOM 0 H ASN A 84 -14.079 14.252 0.569 1.00 0.00 H new ATOM 0 HA ASN A 84 -11.581 15.681 0.273 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -12.705 13.311 1.859 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -11.033 13.795 2.062 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -11.935 17.030 3.571 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -10.739 16.304 2.492 1.00 0.00 H new ATOM 1419 N VAL A 85 -11.690 12.742 -1.088 1.00 0.00 N ATOM 1420 CA VAL A 85 -10.892 11.829 -1.946 1.00 0.00 C ATOM 1421 C VAL A 85 -11.210 12.070 -3.425 1.00 0.00 C ATOM 1422 O VAL A 85 -12.355 12.190 -3.811 1.00 0.00 O ATOM 1423 CB VAL A 85 -11.337 10.434 -1.523 1.00 0.00 C ATOM 1424 CG1 VAL A 85 -10.586 9.392 -2.343 1.00 0.00 C ATOM 1425 CG2 VAL A 85 -11.034 10.236 -0.037 1.00 0.00 C ATOM 0 H VAL A 85 -12.672 12.488 -0.980 1.00 0.00 H new ATOM 0 HA VAL A 85 -9.818 11.977 -1.832 1.00 0.00 H new ATOM 0 HB VAL A 85 -12.408 10.323 -1.693 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -10.903 8.394 -2.041 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -10.802 9.537 -3.401 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -9.515 9.499 -2.173 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -11.351 9.239 0.269 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -9.963 10.345 0.134 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -11.572 10.983 0.547 1.00 0.00 H new ATOM 1435 N ARG A 86 -10.206 12.138 -4.254 1.00 0.00 N ATOM 1436 CA ARG A 86 -10.454 12.365 -5.706 1.00 0.00 C ATOM 1437 C ARG A 86 -10.538 11.022 -6.437 1.00 0.00 C ATOM 1438 O ARG A 86 -11.262 10.873 -7.401 1.00 0.00 O ATOM 1439 CB ARG A 86 -9.249 13.171 -6.195 1.00 0.00 C ATOM 1440 CG ARG A 86 -9.349 13.364 -7.710 1.00 0.00 C ATOM 1441 CD ARG A 86 -10.472 14.356 -8.025 1.00 0.00 C ATOM 1442 NE ARG A 86 -11.285 13.695 -9.084 1.00 0.00 N ATOM 1443 CZ ARG A 86 -12.577 13.874 -9.122 1.00 0.00 C ATOM 1444 NH1 ARG A 86 -13.359 13.158 -8.358 1.00 0.00 N ATOM 1445 NH2 ARG A 86 -13.088 14.769 -9.922 1.00 0.00 N ATOM 0 H ARG A 86 -9.225 12.046 -3.990 1.00 0.00 H new ATOM 0 HA ARG A 86 -11.392 12.889 -5.891 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -9.218 14.139 -5.695 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -8.324 12.652 -5.943 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -8.402 13.733 -8.104 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -9.546 12.409 -8.197 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -11.073 14.566 -7.140 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -10.071 15.308 -8.372 1.00 0.00 H new ATOM 0 HE ARG A 86 -10.832 13.102 -9.779 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -12.959 12.459 -7.732 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -14.369 13.298 -8.388 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -12.478 15.329 -10.518 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -14.098 14.909 -9.952 1.00 0.00 H new ATOM 1459 N ARG A 87 -9.803 10.045 -5.984 1.00 0.00 N ATOM 1460 CA ARG A 87 -9.838 8.713 -6.645 1.00 0.00 C ATOM 1461 C ARG A 87 -9.405 7.630 -5.649 1.00 0.00 C ATOM 1462 O ARG A 87 -8.677 7.889 -4.711 1.00 0.00 O ATOM 1463 CB ARG A 87 -8.854 8.838 -7.821 1.00 0.00 C ATOM 1464 CG ARG A 87 -8.025 7.556 -7.979 1.00 0.00 C ATOM 1465 CD ARG A 87 -7.572 7.412 -9.433 1.00 0.00 C ATOM 1466 NE ARG A 87 -6.322 8.215 -9.529 1.00 0.00 N ATOM 1467 CZ ARG A 87 -6.313 9.330 -10.206 1.00 0.00 C ATOM 1468 NH1 ARG A 87 -6.233 9.302 -11.508 1.00 0.00 N ATOM 1469 NH2 ARG A 87 -6.380 10.473 -9.580 1.00 0.00 N ATOM 0 H ARG A 87 -9.177 10.113 -5.181 1.00 0.00 H new ATOM 0 HA ARG A 87 -10.832 8.429 -6.991 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -9.404 9.036 -8.741 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -8.191 9.687 -7.657 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -7.158 7.588 -7.319 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -8.617 6.690 -7.685 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -7.391 6.368 -9.688 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -8.332 7.781 -10.122 1.00 0.00 H new ATOM 0 HE ARG A 87 -5.472 7.893 -9.065 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -6.178 8.408 -11.996 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -6.226 10.174 -12.037 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -6.439 10.494 -8.562 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -6.373 11.345 -10.109 1.00 0.00 H new ATOM 1483 N VAL A 88 -9.843 6.420 -5.854 1.00 0.00 N ATOM 1484 CA VAL A 88 -9.457 5.318 -4.927 1.00 0.00 C ATOM 1485 C VAL A 88 -8.920 4.128 -5.727 1.00 0.00 C ATOM 1486 O VAL A 88 -9.595 3.586 -6.579 1.00 0.00 O ATOM 1487 CB VAL A 88 -10.746 4.938 -4.200 1.00 0.00 C ATOM 1488 CG1 VAL A 88 -10.457 3.819 -3.198 1.00 0.00 C ATOM 1489 CG2 VAL A 88 -11.290 6.158 -3.454 1.00 0.00 C ATOM 0 H VAL A 88 -10.453 6.145 -6.624 1.00 0.00 H new ATOM 0 HA VAL A 88 -8.674 5.617 -4.230 1.00 0.00 H new ATOM 0 HB VAL A 88 -11.483 4.595 -4.926 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -11.377 3.548 -2.680 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -10.069 2.948 -3.727 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -9.719 4.162 -2.473 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -12.210 5.887 -2.935 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -10.552 6.500 -2.729 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -11.497 6.957 -4.166 1.00 0.00 H new ATOM 1499 N MET A 89 -7.709 3.719 -5.462 1.00 0.00 N ATOM 1500 CA MET A 89 -7.133 2.567 -6.213 1.00 0.00 C ATOM 1501 C MET A 89 -6.587 1.517 -5.242 1.00 0.00 C ATOM 1502 O MET A 89 -5.887 1.831 -4.300 1.00 0.00 O ATOM 1503 CB MET A 89 -6.001 3.164 -7.050 1.00 0.00 C ATOM 1504 CG MET A 89 -6.034 2.559 -8.454 1.00 0.00 C ATOM 1505 SD MET A 89 -4.438 2.824 -9.263 1.00 0.00 S ATOM 1506 CE MET A 89 -4.686 1.664 -10.629 1.00 0.00 C ATOM 0 H MET A 89 -7.095 4.131 -4.760 1.00 0.00 H new ATOM 0 HA MET A 89 -7.878 2.067 -6.832 1.00 0.00 H new ATOM 0 HB2 MET A 89 -6.108 4.247 -7.106 1.00 0.00 H new ATOM 0 HB3 MET A 89 -5.039 2.963 -6.578 1.00 0.00 H new ATOM 0 HG2 MET A 89 -6.252 1.493 -8.397 1.00 0.00 H new ATOM 0 HG3 MET A 89 -6.831 3.016 -9.040 1.00 0.00 H new ATOM 0 HE1 MET A 89 -3.805 1.664 -11.271 1.00 0.00 H new ATOM 0 HE2 MET A 89 -4.845 0.662 -10.231 1.00 0.00 H new ATOM 0 HE3 MET A 89 -5.558 1.966 -11.209 1.00 0.00 H new ATOM 1516 N VAL A 90 -6.904 0.271 -5.464 1.00 0.00 N ATOM 1517 CA VAL A 90 -6.405 -0.800 -4.556 1.00 0.00 C ATOM 1518 C VAL A 90 -5.288 -1.597 -5.237 1.00 0.00 C ATOM 1519 O VAL A 90 -5.470 -2.153 -6.302 1.00 0.00 O ATOM 1520 CB VAL A 90 -7.618 -1.693 -4.298 1.00 0.00 C ATOM 1521 CG1 VAL A 90 -7.167 -2.979 -3.603 1.00 0.00 C ATOM 1522 CG2 VAL A 90 -8.614 -0.953 -3.402 1.00 0.00 C ATOM 0 H VAL A 90 -7.488 -0.052 -6.236 1.00 0.00 H new ATOM 0 HA VAL A 90 -5.988 -0.397 -3.633 1.00 0.00 H new ATOM 0 HB VAL A 90 -8.095 -1.940 -5.246 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -8.032 -3.616 -3.419 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -6.457 -3.507 -4.240 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -6.690 -2.732 -2.654 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -9.480 -1.589 -3.217 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -8.136 -0.706 -2.454 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -8.936 -0.036 -3.896 1.00 0.00 H new ATOM 1532 N VAL A 91 -4.133 -1.655 -4.631 1.00 0.00 N ATOM 1533 CA VAL A 91 -3.006 -2.413 -5.242 1.00 0.00 C ATOM 1534 C VAL A 91 -2.683 -3.653 -4.400 1.00 0.00 C ATOM 1535 O VAL A 91 -2.827 -3.651 -3.195 1.00 0.00 O ATOM 1536 CB VAL A 91 -1.832 -1.436 -5.233 1.00 0.00 C ATOM 1537 CG1 VAL A 91 -2.186 -0.204 -6.070 1.00 0.00 C ATOM 1538 CG2 VAL A 91 -1.539 -1.004 -3.794 1.00 0.00 C ATOM 0 H VAL A 91 -3.922 -1.209 -3.738 1.00 0.00 H new ATOM 0 HA VAL A 91 -3.238 -2.767 -6.247 1.00 0.00 H new ATOM 0 HB VAL A 91 -0.952 -1.923 -5.655 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -1.348 0.493 -6.064 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -2.397 -0.509 -7.095 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -3.066 0.282 -5.648 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -0.701 -0.307 -3.787 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -2.419 -0.518 -3.374 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -1.287 -1.879 -3.195 1.00 0.00 H new ATOM 1548 N LYS A 92 -2.246 -4.711 -5.030 1.00 0.00 N ATOM 1549 CA LYS A 92 -1.913 -5.953 -4.270 1.00 0.00 C ATOM 1550 C LYS A 92 -0.653 -5.737 -3.425 1.00 0.00 C ATOM 1551 O LYS A 92 0.318 -5.164 -3.877 1.00 0.00 O ATOM 1552 CB LYS A 92 -1.663 -7.016 -5.340 1.00 0.00 C ATOM 1553 CG LYS A 92 -2.881 -7.938 -5.444 1.00 0.00 C ATOM 1554 CD LYS A 92 -2.766 -8.796 -6.707 1.00 0.00 C ATOM 1555 CE LYS A 92 -4.167 -9.178 -7.196 1.00 0.00 C ATOM 1556 NZ LYS A 92 -4.565 -8.096 -8.145 1.00 0.00 N ATOM 0 H LYS A 92 -2.105 -4.770 -6.038 1.00 0.00 H new ATOM 0 HA LYS A 92 -2.709 -6.242 -3.584 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -1.472 -6.540 -6.302 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -0.775 -7.597 -5.089 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -2.944 -8.576 -4.563 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -3.796 -7.347 -5.475 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -2.235 -8.247 -7.485 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -2.185 -9.694 -6.497 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -4.159 -10.150 -7.689 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -4.868 -9.248 -6.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -5.515 -8.294 -8.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -4.572 -7.183 -7.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -3.885 -8.057 -8.931 1.00 0.00 H new ATOM 1570 N SER A 93 -0.662 -6.195 -2.201 1.00 0.00 N ATOM 1571 CA SER A 93 0.536 -6.019 -1.328 1.00 0.00 C ATOM 1572 C SER A 93 1.301 -7.340 -1.208 1.00 0.00 C ATOM 1573 O SER A 93 0.929 -8.217 -0.453 1.00 0.00 O ATOM 1574 CB SER A 93 -0.020 -5.597 0.031 1.00 0.00 C ATOM 1575 OG SER A 93 0.782 -4.550 0.560 1.00 0.00 O ATOM 0 H SER A 93 -1.446 -6.683 -1.768 1.00 0.00 H new ATOM 0 HA SER A 93 1.233 -5.283 -1.728 1.00 0.00 H new ATOM 0 HB2 SER A 93 -1.052 -5.263 -0.073 1.00 0.00 H new ATOM 0 HB3 SER A 93 -0.027 -6.446 0.714 1.00 0.00 H new ATOM 0 HG SER A 93 0.632 -4.479 1.526 1.00 0.00 H new ATOM 1581 N GLN A 94 2.366 -7.492 -1.946 1.00 0.00 N ATOM 1582 CA GLN A 94 3.151 -8.756 -1.875 1.00 0.00 C ATOM 1583 C GLN A 94 4.439 -8.537 -1.074 1.00 0.00 C ATOM 1584 O GLN A 94 4.729 -7.443 -0.633 1.00 0.00 O ATOM 1585 CB GLN A 94 3.476 -9.097 -3.328 1.00 0.00 C ATOM 1586 CG GLN A 94 2.197 -9.030 -4.167 1.00 0.00 C ATOM 1587 CD GLN A 94 2.169 -10.201 -5.150 1.00 0.00 C ATOM 1588 OE1 GLN A 94 1.220 -10.958 -5.185 1.00 0.00 O ATOM 1589 NE2 GLN A 94 3.177 -10.382 -5.958 1.00 0.00 N ATOM 0 H GLN A 94 2.727 -6.794 -2.596 1.00 0.00 H new ATOM 0 HA GLN A 94 2.603 -9.557 -1.379 1.00 0.00 H new ATOM 0 HB2 GLN A 94 4.217 -8.400 -3.719 1.00 0.00 H new ATOM 0 HB3 GLN A 94 3.912 -10.094 -3.390 1.00 0.00 H new ATOM 0 HG2 GLN A 94 1.322 -9.065 -3.518 1.00 0.00 H new ATOM 0 HG3 GLN A 94 2.154 -8.085 -4.709 1.00 0.00 H new ATOM 0 HE21 GLN A 94 3.974 -9.747 -5.929 1.00 0.00 H new ATOM 0 HE22 GLN A 94 3.168 -11.159 -6.619 1.00 0.00 H new ATOM 1598 N GLU A 95 5.213 -9.571 -0.883 1.00 0.00 N ATOM 1599 CA GLU A 95 6.480 -9.423 -0.111 1.00 0.00 C ATOM 1600 C GLU A 95 7.673 -9.323 -1.067 1.00 0.00 C ATOM 1601 O GLU A 95 7.677 -9.927 -2.121 1.00 0.00 O ATOM 1602 CB GLU A 95 6.574 -10.691 0.737 1.00 0.00 C ATOM 1603 CG GLU A 95 6.900 -11.885 -0.164 1.00 0.00 C ATOM 1604 CD GLU A 95 6.702 -13.185 0.618 1.00 0.00 C ATOM 1605 OE1 GLU A 95 5.727 -13.271 1.345 1.00 0.00 O ATOM 1606 OE2 GLU A 95 7.528 -14.071 0.474 1.00 0.00 O ATOM 0 H GLU A 95 5.023 -10.512 -1.228 1.00 0.00 H new ATOM 0 HA GLU A 95 6.490 -8.522 0.502 1.00 0.00 H new ATOM 0 HB2 GLU A 95 7.345 -10.575 1.499 1.00 0.00 H new ATOM 0 HB3 GLU A 95 5.633 -10.862 1.260 1.00 0.00 H new ATOM 0 HG2 GLU A 95 6.257 -11.876 -1.044 1.00 0.00 H new ATOM 0 HG3 GLU A 95 7.928 -11.815 -0.520 1.00 0.00 H new ATOM 1613 N PRO A 96 8.650 -8.557 -0.662 1.00 0.00 N ATOM 1614 CA PRO A 96 9.866 -8.370 -1.491 1.00 0.00 C ATOM 1615 C PRO A 96 10.734 -9.631 -1.461 1.00 0.00 C ATOM 1616 O PRO A 96 10.562 -10.494 -0.623 1.00 0.00 O ATOM 1617 CB PRO A 96 10.578 -7.199 -0.817 1.00 0.00 C ATOM 1618 CG PRO A 96 10.101 -7.217 0.600 1.00 0.00 C ATOM 1619 CD PRO A 96 8.712 -7.803 0.593 1.00 0.00 C ATOM 0 HA PRO A 96 9.646 -8.182 -2.542 1.00 0.00 H new ATOM 0 HB2 PRO A 96 11.661 -7.313 -0.870 1.00 0.00 H new ATOM 0 HB3 PRO A 96 10.332 -6.255 -1.304 1.00 0.00 H new ATOM 0 HG2 PRO A 96 10.767 -7.813 1.223 1.00 0.00 H new ATOM 0 HG3 PRO A 96 10.092 -6.210 1.016 1.00 0.00 H new ATOM 0 HD2 PRO A 96 8.547 -8.449 1.455 1.00 0.00 H new ATOM 0 HD3 PRO A 96 7.950 -7.024 0.628 1.00 0.00 H new ATOM 1627 N PHE A 97 11.663 -9.746 -2.369 1.00 0.00 N ATOM 1628 CA PHE A 97 12.539 -10.952 -2.393 1.00 0.00 C ATOM 1629 C PHE A 97 13.846 -10.641 -3.125 1.00 0.00 C ATOM 1630 O PHE A 97 13.846 -10.222 -4.265 1.00 0.00 O ATOM 1631 CB PHE A 97 11.735 -12.008 -3.151 1.00 0.00 C ATOM 1632 CG PHE A 97 12.614 -13.200 -3.448 1.00 0.00 C ATOM 1633 CD1 PHE A 97 13.093 -13.996 -2.401 1.00 0.00 C ATOM 1634 CD2 PHE A 97 12.946 -13.510 -4.772 1.00 0.00 C ATOM 1635 CE1 PHE A 97 13.905 -15.102 -2.678 1.00 0.00 C ATOM 1636 CE2 PHE A 97 13.759 -14.616 -5.049 1.00 0.00 C ATOM 1637 CZ PHE A 97 14.238 -15.413 -4.001 1.00 0.00 C ATOM 0 H PHE A 97 11.854 -9.057 -3.096 1.00 0.00 H new ATOM 0 HA PHE A 97 12.810 -11.288 -1.392 1.00 0.00 H new ATOM 0 HB2 PHE A 97 10.874 -12.318 -2.559 1.00 0.00 H new ATOM 0 HB3 PHE A 97 11.349 -11.588 -4.080 1.00 0.00 H new ATOM 0 HD1 PHE A 97 12.836 -13.757 -1.380 1.00 0.00 H new ATOM 0 HD2 PHE A 97 12.575 -12.896 -5.580 1.00 0.00 H new ATOM 0 HE1 PHE A 97 14.275 -15.716 -1.870 1.00 0.00 H new ATOM 0 HE2 PHE A 97 14.017 -14.855 -6.070 1.00 0.00 H new ATOM 0 HZ PHE A 97 14.864 -16.267 -4.214 1.00 0.00 H new ATOM 1647 N LEU A 98 14.960 -10.840 -2.477 1.00 0.00 N ATOM 1648 CA LEU A 98 16.267 -10.556 -3.136 1.00 0.00 C ATOM 1649 C LEU A 98 16.297 -9.118 -3.657 1.00 0.00 C ATOM 1650 O LEU A 98 15.382 -8.348 -3.440 1.00 0.00 O ATOM 1651 CB LEU A 98 16.348 -11.547 -4.297 1.00 0.00 C ATOM 1652 CG LEU A 98 17.815 -11.813 -4.639 1.00 0.00 C ATOM 1653 CD1 LEU A 98 18.117 -13.302 -4.467 1.00 0.00 C ATOM 1654 CD2 LEU A 98 18.080 -11.403 -6.090 1.00 0.00 C ATOM 0 H LEU A 98 15.023 -11.187 -1.520 1.00 0.00 H new ATOM 0 HA LEU A 98 17.106 -10.662 -2.449 1.00 0.00 H new ATOM 0 HB2 LEU A 98 15.851 -12.479 -4.029 1.00 0.00 H new ATOM 0 HB3 LEU A 98 15.827 -11.147 -5.167 1.00 0.00 H new ATOM 0 HG LEU A 98 18.455 -11.234 -3.973 1.00 0.00 H new ATOM 0 HD11 LEU A 98 19.162 -13.492 -4.711 1.00 0.00 H new ATOM 0 HD12 LEU A 98 17.926 -13.595 -3.435 1.00 0.00 H new ATOM 0 HD13 LEU A 98 17.478 -13.882 -5.133 1.00 0.00 H new ATOM 0 HD21 LEU A 98 19.125 -11.592 -6.336 1.00 0.00 H new ATOM 0 HD22 LEU A 98 17.440 -11.983 -6.755 1.00 0.00 H new ATOM 0 HD23 LEU A 98 17.864 -10.342 -6.213 1.00 0.00 H new ATOM 1666 N ALA A 99 17.345 -8.750 -4.343 1.00 0.00 N ATOM 1667 CA ALA A 99 17.437 -7.362 -4.878 1.00 0.00 C ATOM 1668 C ALA A 99 17.970 -7.388 -6.313 1.00 0.00 C ATOM 1669 O ALA A 99 19.044 -6.895 -6.596 1.00 0.00 O ATOM 1670 CB ALA A 99 18.421 -6.647 -3.953 1.00 0.00 C ATOM 0 H ALA A 99 18.141 -9.351 -4.556 1.00 0.00 H new ATOM 0 HA ALA A 99 16.469 -6.862 -4.906 1.00 0.00 H new ATOM 0 HB1 ALA A 99 18.544 -5.615 -4.281 1.00 0.00 H new ATOM 0 HB2 ALA A 99 18.037 -6.660 -2.933 1.00 0.00 H new ATOM 0 HB3 ALA A 99 19.385 -7.155 -3.985 1.00 0.00 H new ATOM 1676 N ASN A 100 17.229 -7.963 -7.220 1.00 0.00 N ATOM 1677 CA ASN A 100 17.693 -8.025 -8.636 1.00 0.00 C ATOM 1678 C ASN A 100 16.713 -7.283 -9.547 1.00 0.00 C ATOM 1679 O ASN A 100 17.071 -6.340 -10.224 1.00 0.00 O ATOM 1680 CB ASN A 100 17.718 -9.514 -8.980 1.00 0.00 C ATOM 1681 CG ASN A 100 19.141 -10.051 -8.818 1.00 0.00 C ATOM 1682 OD1 ASN A 100 20.010 -9.361 -8.323 1.00 0.00 O ATOM 1683 ND2 ASN A 100 19.417 -11.261 -9.219 1.00 0.00 N ATOM 0 H ASN A 100 16.321 -8.393 -7.042 1.00 0.00 H new ATOM 0 HA ASN A 100 18.669 -7.558 -8.771 1.00 0.00 H new ATOM 0 HB2 ASN A 100 17.035 -10.060 -8.329 1.00 0.00 H new ATOM 0 HB3 ASN A 100 17.374 -9.668 -10.003 1.00 0.00 H new ATOM 0 HD21 ASN A 100 20.363 -11.629 -9.117 1.00 0.00 H new ATOM 0 HD22 ASN A 100 18.687 -11.840 -9.634 1.00 0.00 H new ATOM 1690 N ALA A 101 15.478 -7.702 -9.569 1.00 0.00 N ATOM 1691 CA ALA A 101 14.475 -7.022 -10.438 1.00 0.00 C ATOM 1692 C ALA A 101 13.132 -6.921 -9.710 1.00 0.00 C ATOM 1693 O ALA A 101 12.926 -7.684 -8.780 1.00 0.00 O ATOM 1694 CB ALA A 101 14.351 -7.916 -11.672 1.00 0.00 C ATOM 1695 OXT ALA A 101 12.334 -6.083 -10.095 1.00 0.00 O ATOM 0 H ALA A 101 15.119 -8.486 -9.023 1.00 0.00 H new ATOM 0 HA ALA A 101 14.773 -6.007 -10.700 1.00 0.00 H new ATOM 0 HB1 ALA A 101 13.628 -7.483 -12.364 1.00 0.00 H new ATOM 0 HB2 ALA A 101 15.321 -7.995 -12.163 1.00 0.00 H new ATOM 0 HB3 ALA A 101 14.015 -8.908 -11.370 1.00 0.00 H new TER 1701 ALA A 101