USER MOD reduce.3.24.130724 H: found=0, std=0, add=771, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 649 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 94 GLN : amide:sc= -0.576 K(o=-3.9,f=-6.3!) USER MOD Set 1.2: A 95 ASN : amide:sc= -3.3! C(o=-3.9!,f=-11!) USER MOD Set 2.1: A 43 ASN : amide:sc= -7.94! C(o=-7.3!,f=-11!) USER MOD Set 2.2: A 59 SER OG : rot 94:sc= 1.74 USER MOD Set 2.3: A 73 CYS SG : rot 180:sc= -1.08 USER MOD Set 3.1: A 14 ASN : amide:sc= 1.14 K(o=2.9,f=0.2) USER MOD Set 3.2: A 18 THR OG1 : rot -59:sc= 1.77 USER MOD Set 4.1: A 7 SER OG : rot 26:sc= 0.954 USER MOD Set 4.2: A 23 CYS SG : rot -25:sc= -1.54 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -138:sc= 0.00702 (180deg=-0.281) USER MOD Single : A 2 SER OG : rot -112:sc= -1.37! USER MOD Single : A 3 TYR OH : rot 26:sc= -0.426 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 ASN :FLIP amide:sc= -1.48 F(o=-5.2!,f=-1.5) USER MOD Single : A 13 THR OG1 : rot -16:sc= -1.35! USER MOD Single : A 25 ASN : amide:sc= -1.75! C(o=-1.8!,f=-11!) USER MOD Single : A 29 ASN : amide:sc= 0.226 K(o=0.23,f=-6.5!) USER MOD Single : A 32 THR OG1 : rot -53:sc= 1.18 USER MOD Single : A 33 SER OG : rot 151:sc= 1.24 USER MOD Single : A 39 THR OG1 : rot -31:sc= 0.396 USER MOD Single : A 40 CYS SG : rot -142:sc= 0.111 USER MOD Single : A 45 ASN : amide:sc= -0.147 K(o=-0.15,f=-3.2!) USER MOD Single : A 52 MET CE :methyl 168:sc= -0.728 (180deg=-0.982) USER MOD Single : A 53 GLN :FLIP amide:sc=-0.00568 F(o=-1.2!,f=-0.0057) USER MOD Single : A 54 ASN :FLIP amide:sc= 0 F(o=-1.6!,f=0) USER MOD Single : A 56 SER OG : rot -73:sc= 1.19 USER MOD Single : A 57 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 58 SER OG : rot 91:sc= 0.0401 USER MOD Single : A 63 LYS NZ :NH3+ 155:sc= 1.14 (180deg=0.945) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot -170:sc= 0.139 USER MOD Single : A 76 LYS NZ :NH3+ 154:sc= 1.04 (180deg=0.37) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 GLN :FLIP amide:sc= -0.754 F(o=-2.6!,f=-0.75) USER MOD Single : A 91 ASN :FLIP amide:sc= 0 F(o=-1.6!,f=0) USER MOD Single : A 97 ASN : amide:sc= -0.262 X(o=-0.26,f=-0.35) USER MOD Single : A 103 GLN : amide:sc= -0.312 X(o=-0.31,f=-0.64) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.176 14.522 0.105 1.00 0.00 N ATOM 2 CA MET A 1 0.913 13.945 -0.717 1.00 0.00 C ATOM 3 C MET A 1 1.289 12.575 -0.187 1.00 0.00 C ATOM 4 O MET A 1 0.976 12.238 0.955 1.00 0.00 O ATOM 5 CB MET A 1 2.156 14.843 -0.675 1.00 0.00 C ATOM 6 CG MET A 1 1.911 16.270 -1.126 1.00 0.00 C ATOM 7 SD MET A 1 3.378 17.303 -0.955 1.00 0.00 S ATOM 8 CE MET A 1 2.728 18.892 -1.463 1.00 0.00 C ATOM 0 H1 MET A 1 -0.874 14.979 -0.515 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.639 13.766 0.649 1.00 0.00 H new ATOM 0 H3 MET A 1 0.219 15.227 0.760 1.00 0.00 H new ATOM 0 HA MET A 1 0.557 13.866 -1.744 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.545 14.858 0.343 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.929 14.403 -1.305 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.589 16.269 -2.167 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.097 16.699 -0.541 1.00 0.00 H new ATOM 0 HE1 MET A 1 3.518 19.641 -1.412 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.358 18.824 -2.486 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.911 19.180 -0.801 1.00 0.00 H new ATOM 16 N SER A 2 1.949 11.781 -1.014 1.00 0.00 N ATOM 17 CA SER A 2 2.379 10.462 -0.598 1.00 0.00 C ATOM 18 C SER A 2 3.898 10.358 -0.617 1.00 0.00 C ATOM 19 O SER A 2 4.573 11.231 -1.167 1.00 0.00 O ATOM 20 CB SER A 2 1.768 9.382 -1.489 1.00 0.00 C ATOM 21 OG SER A 2 0.360 9.497 -1.543 1.00 0.00 O ATOM 0 H SER A 2 2.196 12.028 -1.972 1.00 0.00 H new ATOM 0 HA SER A 2 2.031 10.305 0.423 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.180 9.461 -2.495 1.00 0.00 H new ATOM 0 HB3 SER A 2 2.040 8.397 -1.109 1.00 0.00 H new ATOM 0 HG SER A 2 -0.048 8.730 -1.090 1.00 0.00 H new ATOM 26 N TYR A 3 4.422 9.304 -0.013 1.00 0.00 N ATOM 27 CA TYR A 3 5.864 9.061 0.056 1.00 0.00 C ATOM 28 C TYR A 3 6.548 9.210 -1.303 1.00 0.00 C ATOM 29 O TYR A 3 7.655 9.743 -1.389 1.00 0.00 O ATOM 30 CB TYR A 3 6.127 7.657 0.611 1.00 0.00 C ATOM 31 CG TYR A 3 5.536 6.533 -0.222 1.00 0.00 C ATOM 32 CD1 TYR A 3 4.166 6.301 -0.247 1.00 0.00 C ATOM 33 CD2 TYR A 3 6.353 5.710 -0.988 1.00 0.00 C ATOM 34 CE1 TYR A 3 3.629 5.286 -1.009 1.00 0.00 C ATOM 35 CE2 TYR A 3 5.820 4.690 -1.752 1.00 0.00 C ATOM 36 CZ TYR A 3 4.459 4.483 -1.758 1.00 0.00 C ATOM 37 OH TYR A 3 3.921 3.473 -2.519 1.00 0.00 O ATOM 0 H TYR A 3 3.861 8.587 0.447 1.00 0.00 H new ATOM 0 HA TYR A 3 6.287 9.815 0.719 1.00 0.00 H new ATOM 0 HB2 TYR A 3 7.204 7.507 0.691 1.00 0.00 H new ATOM 0 HB3 TYR A 3 5.721 7.597 1.621 1.00 0.00 H new ATOM 0 HD1 TYR A 3 3.511 6.927 0.341 1.00 0.00 H new ATOM 0 HD2 TYR A 3 7.421 5.870 -0.986 1.00 0.00 H new ATOM 0 HE1 TYR A 3 2.562 5.121 -1.018 1.00 0.00 H new ATOM 0 HE2 TYR A 3 6.468 4.058 -2.342 1.00 0.00 H new ATOM 0 HH TYR A 3 2.996 3.697 -2.754 1.00 0.00 H new ATOM 46 N ALA A 4 5.863 8.769 -2.357 1.00 0.00 N ATOM 47 CA ALA A 4 6.387 8.818 -3.720 1.00 0.00 C ATOM 48 C ALA A 4 6.863 10.220 -4.122 1.00 0.00 C ATOM 49 O ALA A 4 7.634 10.363 -5.069 1.00 0.00 O ATOM 50 CB ALA A 4 5.336 8.301 -4.690 1.00 0.00 C ATOM 0 H ALA A 4 4.928 8.367 -2.289 1.00 0.00 H new ATOM 0 HA ALA A 4 7.267 8.175 -3.759 1.00 0.00 H new ATOM 0 HB1 ALA A 4 5.729 8.338 -5.706 1.00 0.00 H new ATOM 0 HB2 ALA A 4 5.082 7.272 -4.437 1.00 0.00 H new ATOM 0 HB3 ALA A 4 4.443 8.922 -4.623 1.00 0.00 H new ATOM 56 N ASP A 5 6.405 11.243 -3.403 1.00 0.00 N ATOM 57 CA ASP A 5 6.811 12.623 -3.674 1.00 0.00 C ATOM 58 C ASP A 5 8.332 12.747 -3.606 1.00 0.00 C ATOM 59 O ASP A 5 8.961 13.383 -4.452 1.00 0.00 O ATOM 60 CB ASP A 5 6.172 13.571 -2.655 1.00 0.00 C ATOM 61 CG ASP A 5 6.606 15.012 -2.840 1.00 0.00 C ATOM 62 OD1 ASP A 5 7.620 15.416 -2.232 1.00 0.00 O ATOM 63 OD2 ASP A 5 5.926 15.749 -3.584 1.00 0.00 O ATOM 0 H ASP A 5 5.751 11.143 -2.627 1.00 0.00 H new ATOM 0 HA ASP A 5 6.474 12.894 -4.675 1.00 0.00 H new ATOM 0 HB2 ASP A 5 5.087 13.510 -2.739 1.00 0.00 H new ATOM 0 HB3 ASP A 5 6.433 13.244 -1.648 1.00 0.00 H new ATOM 67 N SER A 6 8.914 12.106 -2.603 1.00 0.00 N ATOM 68 CA SER A 6 10.352 12.122 -2.408 1.00 0.00 C ATOM 69 C SER A 6 10.856 10.696 -2.227 1.00 0.00 C ATOM 70 O SER A 6 11.719 10.420 -1.388 1.00 0.00 O ATOM 71 CB SER A 6 10.706 12.974 -1.187 1.00 0.00 C ATOM 72 OG SER A 6 10.129 14.266 -1.284 1.00 0.00 O ATOM 0 H SER A 6 8.404 11.563 -1.906 1.00 0.00 H new ATOM 0 HA SER A 6 10.832 12.559 -3.284 1.00 0.00 H new ATOM 0 HB2 SER A 6 10.353 12.481 -0.281 1.00 0.00 H new ATOM 0 HB3 SER A 6 11.789 13.061 -1.102 1.00 0.00 H new ATOM 0 HG SER A 6 10.368 14.791 -0.492 1.00 0.00 H new ATOM 77 N SER A 7 10.302 9.790 -3.015 1.00 0.00 N ATOM 78 CA SER A 7 10.675 8.392 -2.947 1.00 0.00 C ATOM 79 C SER A 7 10.593 7.759 -4.328 1.00 0.00 C ATOM 80 O SER A 7 9.798 8.180 -5.172 1.00 0.00 O ATOM 81 CB SER A 7 9.763 7.656 -1.962 1.00 0.00 C ATOM 82 OG SER A 7 10.222 6.344 -1.713 1.00 0.00 O ATOM 0 H SER A 7 9.588 10.002 -3.712 1.00 0.00 H new ATOM 0 HA SER A 7 11.703 8.315 -2.594 1.00 0.00 H new ATOM 0 HB2 SER A 7 9.716 8.210 -1.025 1.00 0.00 H new ATOM 0 HB3 SER A 7 8.750 7.618 -2.361 1.00 0.00 H new ATOM 0 HG SER A 7 11.189 6.301 -1.866 1.00 0.00 H new ATOM 87 N ARG A 8 11.425 6.757 -4.558 1.00 0.00 N ATOM 88 CA ARG A 8 11.455 6.064 -5.833 1.00 0.00 C ATOM 89 C ARG A 8 11.555 4.559 -5.614 1.00 0.00 C ATOM 90 O ARG A 8 11.687 4.111 -4.473 1.00 0.00 O ATOM 91 CB ARG A 8 12.619 6.568 -6.695 1.00 0.00 C ATOM 92 CG ARG A 8 13.965 6.550 -5.990 1.00 0.00 C ATOM 93 CD ARG A 8 15.068 7.110 -6.873 1.00 0.00 C ATOM 94 NE ARG A 8 14.787 8.481 -7.295 1.00 0.00 N ATOM 95 CZ ARG A 8 15.676 9.284 -7.876 1.00 0.00 C ATOM 96 NH1 ARG A 8 16.904 8.855 -8.139 1.00 0.00 N ATOM 97 NH2 ARG A 8 15.327 10.520 -8.205 1.00 0.00 N ATOM 0 H ARG A 8 12.093 6.404 -3.872 1.00 0.00 H new ATOM 0 HA ARG A 8 10.527 6.273 -6.364 1.00 0.00 H new ATOM 0 HB2 ARG A 8 12.683 5.955 -7.594 1.00 0.00 H new ATOM 0 HB3 ARG A 8 12.404 7.586 -7.018 1.00 0.00 H new ATOM 0 HG2 ARG A 8 13.903 7.133 -5.071 1.00 0.00 H new ATOM 0 HG3 ARG A 8 14.212 5.528 -5.703 1.00 0.00 H new ATOM 0 HD2 ARG A 8 16.014 7.084 -6.332 1.00 0.00 H new ATOM 0 HD3 ARG A 8 15.186 6.477 -7.752 1.00 0.00 H new ATOM 0 HE ARG A 8 13.848 8.846 -7.134 1.00 0.00 H new ATOM 0 HH11 ARG A 8 17.174 7.902 -7.896 1.00 0.00 H new ATOM 0 HH12 ARG A 8 17.577 9.478 -8.584 1.00 0.00 H new ATOM 0 HH21 ARG A 8 14.382 10.851 -8.013 1.00 0.00 H new ATOM 0 HH22 ARG A 8 16.004 11.140 -8.650 1.00 0.00 H new ATOM 108 N ASN A 9 11.492 3.804 -6.717 1.00 0.00 N ATOM 109 CA ASN A 9 11.557 2.332 -6.712 1.00 0.00 C ATOM 110 C ASN A 9 10.634 1.719 -5.659 1.00 0.00 C ATOM 111 O ASN A 9 11.016 0.813 -4.918 1.00 0.00 O ATOM 112 CB ASN A 9 13.001 1.796 -6.569 1.00 0.00 C ATOM 113 CG ASN A 9 13.746 2.271 -5.332 1.00 0.00 C ATOM 114 OD1 ASN A 9 14.558 3.303 -5.493 1.00 0.00 O flip ATOM 115 ND2 ASN A 9 13.624 1.697 -4.252 1.00 0.00 N flip ATOM 0 H ASN A 9 11.393 4.200 -7.652 1.00 0.00 H new ATOM 0 HA ASN A 9 11.198 2.015 -7.691 1.00 0.00 H new ATOM 0 HB2 ASN A 9 12.968 0.707 -6.558 1.00 0.00 H new ATOM 0 HB3 ASN A 9 13.570 2.089 -7.451 1.00 0.00 H new ATOM 0 HD21 ASN A 9 12.988 0.904 -4.165 1.00 0.00 H new ATOM 0 HD22 ASN A 9 14.159 2.013 -3.443 1.00 0.00 H new ATOM 121 N ALA A 10 9.401 2.209 -5.625 1.00 0.00 N ATOM 122 CA ALA A 10 8.405 1.720 -4.683 1.00 0.00 C ATOM 123 C ALA A 10 7.901 0.345 -5.101 1.00 0.00 C ATOM 124 O ALA A 10 7.342 0.180 -6.188 1.00 0.00 O ATOM 125 CB ALA A 10 7.249 2.705 -4.575 1.00 0.00 C ATOM 0 H ALA A 10 9.067 2.949 -6.243 1.00 0.00 H new ATOM 0 HA ALA A 10 8.873 1.628 -3.703 1.00 0.00 H new ATOM 0 HB1 ALA A 10 6.512 2.325 -3.867 1.00 0.00 H new ATOM 0 HB2 ALA A 10 7.623 3.668 -4.228 1.00 0.00 H new ATOM 0 HB3 ALA A 10 6.783 2.828 -5.553 1.00 0.00 H new ATOM 131 N VAL A 11 8.119 -0.641 -4.248 1.00 0.00 N ATOM 132 CA VAL A 11 7.692 -2.003 -4.528 1.00 0.00 C ATOM 133 C VAL A 11 6.757 -2.513 -3.438 1.00 0.00 C ATOM 134 O VAL A 11 6.634 -1.904 -2.369 1.00 0.00 O ATOM 135 CB VAL A 11 8.900 -2.966 -4.641 1.00 0.00 C ATOM 136 CG1 VAL A 11 9.860 -2.519 -5.735 1.00 0.00 C ATOM 137 CG2 VAL A 11 9.631 -3.081 -3.308 1.00 0.00 C ATOM 0 H VAL A 11 8.591 -0.524 -3.352 1.00 0.00 H new ATOM 0 HA VAL A 11 7.166 -1.980 -5.483 1.00 0.00 H new ATOM 0 HB VAL A 11 8.513 -3.949 -4.909 1.00 0.00 H new ATOM 0 HG11 VAL A 11 10.698 -3.214 -5.790 1.00 0.00 H new ATOM 0 HG12 VAL A 11 9.339 -2.502 -6.692 1.00 0.00 H new ATOM 0 HG13 VAL A 11 10.232 -1.520 -5.507 1.00 0.00 H new ATOM 0 HG21 VAL A 11 10.475 -3.763 -3.413 1.00 0.00 H new ATOM 0 HG22 VAL A 11 9.994 -2.098 -3.006 1.00 0.00 H new ATOM 0 HG23 VAL A 11 8.948 -3.464 -2.550 1.00 0.00 H new ATOM 147 N LEU A 12 6.119 -3.643 -3.709 1.00 0.00 N ATOM 148 CA LEU A 12 5.200 -4.259 -2.767 1.00 0.00 C ATOM 149 C LEU A 12 5.875 -5.463 -2.135 1.00 0.00 C ATOM 150 O LEU A 12 6.321 -6.370 -2.836 1.00 0.00 O ATOM 151 CB LEU A 12 3.901 -4.708 -3.464 1.00 0.00 C ATOM 152 CG LEU A 12 2.966 -3.596 -3.956 1.00 0.00 C ATOM 153 CD1 LEU A 12 2.681 -2.609 -2.840 1.00 0.00 C ATOM 154 CD2 LEU A 12 3.541 -2.897 -5.178 1.00 0.00 C ATOM 0 H LEU A 12 6.224 -4.155 -4.585 1.00 0.00 H new ATOM 0 HA LEU A 12 4.939 -3.524 -2.006 1.00 0.00 H new ATOM 0 HB2 LEU A 12 4.170 -5.330 -4.318 1.00 0.00 H new ATOM 0 HB3 LEU A 12 3.344 -5.340 -2.772 1.00 0.00 H new ATOM 0 HG LEU A 12 2.022 -4.051 -4.255 1.00 0.00 H new ATOM 0 HD11 LEU A 12 2.016 -1.827 -3.207 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.206 -3.128 -2.008 1.00 0.00 H new ATOM 0 HD13 LEU A 12 3.616 -2.162 -2.502 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.857 -2.114 -5.505 1.00 0.00 H new ATOM 0 HD22 LEU A 12 4.504 -2.455 -4.924 1.00 0.00 H new ATOM 0 HD23 LEU A 12 3.674 -3.621 -5.982 1.00 0.00 H new ATOM 165 N THR A 13 5.964 -5.470 -0.817 1.00 0.00 N ATOM 166 CA THR A 13 6.614 -6.565 -0.116 1.00 0.00 C ATOM 167 C THR A 13 5.685 -7.217 0.901 1.00 0.00 C ATOM 168 O THR A 13 4.600 -6.695 1.196 1.00 0.00 O ATOM 169 CB THR A 13 7.902 -6.082 0.577 1.00 0.00 C ATOM 170 OG1 THR A 13 7.646 -4.883 1.324 1.00 0.00 O ATOM 171 CG2 THR A 13 8.992 -5.824 -0.451 1.00 0.00 C ATOM 0 H THR A 13 5.597 -4.735 -0.213 1.00 0.00 H new ATOM 0 HA THR A 13 6.873 -7.316 -0.862 1.00 0.00 H new ATOM 0 HB THR A 13 8.238 -6.862 1.260 1.00 0.00 H new ATOM 0 HG1 THR A 13 6.796 -4.492 1.033 1.00 0.00 H new ATOM 0 HG21 THR A 13 9.896 -5.483 0.055 1.00 0.00 H new ATOM 0 HG22 THR A 13 9.205 -6.745 -0.994 1.00 0.00 H new ATOM 0 HG23 THR A 13 8.658 -5.059 -1.151 1.00 0.00 H new ATOM 179 N ASN A 14 6.115 -8.369 1.418 1.00 0.00 N ATOM 180 CA ASN A 14 5.348 -9.129 2.408 1.00 0.00 C ATOM 181 C ASN A 14 3.987 -9.535 1.851 1.00 0.00 C ATOM 182 O ASN A 14 2.966 -9.444 2.535 1.00 0.00 O ATOM 183 CB ASN A 14 5.176 -8.330 3.707 1.00 0.00 C ATOM 184 CG ASN A 14 6.443 -8.282 4.542 1.00 0.00 C ATOM 185 OD1 ASN A 14 7.242 -9.219 4.539 1.00 0.00 O ATOM 186 ND2 ASN A 14 6.640 -7.187 5.257 1.00 0.00 N ATOM 0 H ASN A 14 7.003 -8.801 1.163 1.00 0.00 H new ATOM 0 HA ASN A 14 5.911 -10.034 2.636 1.00 0.00 H new ATOM 0 HB2 ASN A 14 4.868 -7.313 3.464 1.00 0.00 H new ATOM 0 HB3 ASN A 14 4.374 -8.774 4.297 1.00 0.00 H new ATOM 0 HD21 ASN A 14 7.477 -7.097 5.832 1.00 0.00 H new ATOM 0 HD22 ASN A 14 5.954 -6.432 5.233 1.00 0.00 H new ATOM 192 N GLY A 15 3.982 -9.981 0.601 1.00 0.00 N ATOM 193 CA GLY A 15 2.751 -10.393 -0.041 1.00 0.00 C ATOM 194 C GLY A 15 2.105 -9.255 -0.801 1.00 0.00 C ATOM 195 O GLY A 15 1.325 -9.474 -1.727 1.00 0.00 O ATOM 0 H GLY A 15 4.815 -10.065 0.018 1.00 0.00 H new ATOM 0 HA2 GLY A 15 2.956 -11.217 -0.725 1.00 0.00 H new ATOM 0 HA3 GLY A 15 2.057 -10.768 0.711 1.00 0.00 H new ATOM 199 N GLY A 16 2.438 -8.037 -0.404 1.00 0.00 N ATOM 200 CA GLY A 16 1.893 -6.865 -1.050 1.00 0.00 C ATOM 201 C GLY A 16 1.170 -5.981 -0.066 1.00 0.00 C ATOM 202 O GLY A 16 0.103 -5.452 -0.355 1.00 0.00 O ATOM 0 H GLY A 16 3.082 -7.840 0.362 1.00 0.00 H new ATOM 0 HA2 GLY A 16 2.697 -6.302 -1.525 1.00 0.00 H new ATOM 0 HA3 GLY A 16 1.207 -7.169 -1.841 1.00 0.00 H new ATOM 206 N ARG A 17 1.753 -5.829 1.108 1.00 0.00 N ATOM 207 CA ARG A 17 1.151 -5.014 2.148 1.00 0.00 C ATOM 208 C ARG A 17 2.137 -3.963 2.643 1.00 0.00 C ATOM 209 O ARG A 17 1.744 -2.909 3.151 1.00 0.00 O ATOM 210 CB ARG A 17 0.723 -5.898 3.317 1.00 0.00 C ATOM 211 CG ARG A 17 1.893 -6.346 4.179 1.00 0.00 C ATOM 212 CD ARG A 17 1.481 -7.343 5.239 1.00 0.00 C ATOM 213 NE ARG A 17 2.533 -7.527 6.237 1.00 0.00 N ATOM 214 CZ ARG A 17 2.848 -8.703 6.775 1.00 0.00 C ATOM 215 NH1 ARG A 17 2.189 -9.794 6.413 1.00 0.00 N ATOM 216 NH2 ARG A 17 3.818 -8.788 7.674 1.00 0.00 N ATOM 0 H ARG A 17 2.642 -6.258 1.366 1.00 0.00 H new ATOM 0 HA ARG A 17 0.279 -4.511 1.730 1.00 0.00 H new ATOM 0 HB2 ARG A 17 0.010 -5.353 3.936 1.00 0.00 H new ATOM 0 HB3 ARG A 17 0.205 -6.776 2.931 1.00 0.00 H new ATOM 0 HG2 ARG A 17 2.659 -6.791 3.544 1.00 0.00 H new ATOM 0 HG3 ARG A 17 2.342 -5.476 4.658 1.00 0.00 H new ATOM 0 HD2 ARG A 17 0.569 -7.000 5.728 1.00 0.00 H new ATOM 0 HD3 ARG A 17 1.251 -8.300 4.771 1.00 0.00 H new ATOM 0 HE ARG A 17 3.057 -6.706 6.539 1.00 0.00 H new ATOM 0 HH11 ARG A 17 1.441 -9.732 5.722 1.00 0.00 H new ATOM 0 HH12 ARG A 17 2.430 -10.696 6.825 1.00 0.00 H new ATOM 0 HH21 ARG A 17 4.327 -7.950 7.956 1.00 0.00 H new ATOM 0 HH22 ARG A 17 4.056 -9.691 8.084 1.00 0.00 H new ATOM 227 N THR A 18 3.417 -4.266 2.509 1.00 0.00 N ATOM 228 CA THR A 18 4.458 -3.372 2.949 1.00 0.00 C ATOM 229 C THR A 18 5.043 -2.616 1.769 1.00 0.00 C ATOM 230 O THR A 18 5.407 -3.213 0.751 1.00 0.00 O ATOM 231 CB THR A 18 5.578 -4.152 3.652 1.00 0.00 C ATOM 232 OG1 THR A 18 5.010 -5.189 4.461 1.00 0.00 O ATOM 233 CG2 THR A 18 6.421 -3.233 4.518 1.00 0.00 C ATOM 0 H THR A 18 3.756 -5.134 2.094 1.00 0.00 H new ATOM 0 HA THR A 18 4.017 -2.664 3.650 1.00 0.00 H new ATOM 0 HB THR A 18 6.221 -4.591 2.889 1.00 0.00 H new ATOM 0 HG1 THR A 18 4.405 -4.793 5.123 1.00 0.00 H new ATOM 0 HG21 THR A 18 7.207 -3.811 5.004 1.00 0.00 H new ATOM 0 HG22 THR A 18 6.872 -2.459 3.896 1.00 0.00 H new ATOM 0 HG23 THR A 18 5.791 -2.768 5.276 1.00 0.00 H new ATOM 241 N LEU A 19 5.133 -1.310 1.913 1.00 0.00 N ATOM 242 CA LEU A 19 5.682 -0.465 0.869 1.00 0.00 C ATOM 243 C LEU A 19 7.171 -0.290 1.074 1.00 0.00 C ATOM 244 O LEU A 19 7.600 0.317 2.050 1.00 0.00 O ATOM 245 CB LEU A 19 5.002 0.902 0.873 1.00 0.00 C ATOM 246 CG LEU A 19 3.530 0.895 0.477 1.00 0.00 C ATOM 247 CD1 LEU A 19 2.941 2.290 0.601 1.00 0.00 C ATOM 248 CD2 LEU A 19 3.372 0.371 -0.941 1.00 0.00 C ATOM 0 H LEU A 19 4.831 -0.807 2.747 1.00 0.00 H new ATOM 0 HA LEU A 19 5.502 -0.946 -0.093 1.00 0.00 H new ATOM 0 HB2 LEU A 19 5.091 1.332 1.871 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.542 1.561 0.193 1.00 0.00 H new ATOM 0 HG LEU A 19 2.988 0.234 1.153 1.00 0.00 H new ATOM 0 HD11 LEU A 19 1.890 2.268 0.315 1.00 0.00 H new ATOM 0 HD12 LEU A 19 3.029 2.632 1.632 1.00 0.00 H new ATOM 0 HD13 LEU A 19 3.481 2.973 -0.055 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.317 0.370 -1.213 1.00 0.00 H new ATOM 0 HD22 LEU A 19 3.924 1.011 -1.629 1.00 0.00 H new ATOM 0 HD23 LEU A 19 3.762 -0.645 -0.999 1.00 0.00 H new ATOM 259 N ARG A 20 7.955 -0.848 0.173 1.00 0.00 N ATOM 260 CA ARG A 20 9.398 -0.731 0.265 1.00 0.00 C ATOM 261 C ARG A 20 9.898 0.190 -0.836 1.00 0.00 C ATOM 262 O ARG A 20 9.701 -0.088 -2.018 1.00 0.00 O ATOM 263 CB ARG A 20 10.047 -2.112 0.139 1.00 0.00 C ATOM 264 CG ARG A 20 11.566 -2.087 0.235 1.00 0.00 C ATOM 265 CD ARG A 20 12.158 -3.484 0.116 1.00 0.00 C ATOM 266 NE ARG A 20 11.820 -4.322 1.264 1.00 0.00 N ATOM 267 CZ ARG A 20 11.932 -5.652 1.278 1.00 0.00 C ATOM 268 NH1 ARG A 20 12.310 -6.312 0.190 1.00 0.00 N ATOM 269 NH2 ARG A 20 11.652 -6.331 2.379 1.00 0.00 N ATOM 0 H ARG A 20 7.620 -1.384 -0.627 1.00 0.00 H new ATOM 0 HA ARG A 20 9.667 -0.311 1.234 1.00 0.00 H new ATOM 0 HB2 ARG A 20 9.653 -2.761 0.921 1.00 0.00 H new ATOM 0 HB3 ARG A 20 9.760 -2.553 -0.816 1.00 0.00 H new ATOM 0 HG2 ARG A 20 11.970 -1.452 -0.553 1.00 0.00 H new ATOM 0 HG3 ARG A 20 11.864 -1.645 1.186 1.00 0.00 H new ATOM 0 HD2 ARG A 20 11.794 -3.955 -0.797 1.00 0.00 H new ATOM 0 HD3 ARG A 20 13.242 -3.412 0.027 1.00 0.00 H new ATOM 0 HE ARG A 20 11.477 -3.862 2.107 1.00 0.00 H new ATOM 0 HH11 ARG A 20 12.518 -5.803 -0.669 1.00 0.00 H new ATOM 0 HH12 ARG A 20 12.392 -7.328 0.213 1.00 0.00 H new ATOM 0 HH21 ARG A 20 11.350 -5.838 3.219 1.00 0.00 H new ATOM 0 HH22 ARG A 20 11.738 -7.347 2.387 1.00 0.00 H new ATOM 280 N ALA A 21 10.531 1.283 -0.451 1.00 0.00 N ATOM 281 CA ALA A 21 11.040 2.239 -1.418 1.00 0.00 C ATOM 282 C ALA A 21 12.203 3.033 -0.849 1.00 0.00 C ATOM 283 O ALA A 21 12.454 3.009 0.359 1.00 0.00 O ATOM 284 CB ALA A 21 9.924 3.182 -1.842 1.00 0.00 C ATOM 0 H ALA A 21 10.705 1.531 0.523 1.00 0.00 H new ATOM 0 HA ALA A 21 11.403 1.688 -2.286 1.00 0.00 H new ATOM 0 HB1 ALA A 21 10.309 3.898 -2.568 1.00 0.00 H new ATOM 0 HB2 ALA A 21 9.114 2.608 -2.293 1.00 0.00 H new ATOM 0 HB3 ALA A 21 9.548 3.716 -0.969 1.00 0.00 H new ATOM 290 N GLU A 22 12.904 3.742 -1.722 1.00 0.00 N ATOM 291 CA GLU A 22 14.002 4.585 -1.304 1.00 0.00 C ATOM 292 C GLU A 22 13.435 5.946 -0.971 1.00 0.00 C ATOM 293 O GLU A 22 12.938 6.644 -1.853 1.00 0.00 O ATOM 294 CB GLU A 22 15.040 4.737 -2.417 1.00 0.00 C ATOM 295 CG GLU A 22 16.388 4.138 -2.083 1.00 0.00 C ATOM 296 CD GLU A 22 16.321 2.679 -1.708 1.00 0.00 C ATOM 297 OE1 GLU A 22 16.107 1.839 -2.600 1.00 0.00 O ATOM 298 OE2 GLU A 22 16.524 2.369 -0.521 1.00 0.00 O ATOM 0 H GLU A 22 12.727 3.746 -2.726 1.00 0.00 H new ATOM 0 HA GLU A 22 14.495 4.134 -0.443 1.00 0.00 H new ATOM 0 HB2 GLU A 22 14.659 4.266 -3.323 1.00 0.00 H new ATOM 0 HB3 GLU A 22 15.169 5.797 -2.638 1.00 0.00 H new ATOM 0 HG2 GLU A 22 17.051 4.255 -2.940 1.00 0.00 H new ATOM 0 HG3 GLU A 22 16.831 4.697 -1.259 1.00 0.00 H new ATOM 303 N CYS A 23 13.462 6.302 0.295 1.00 0.00 N ATOM 304 CA CYS A 23 12.939 7.581 0.721 1.00 0.00 C ATOM 305 C CYS A 23 14.073 8.567 0.909 1.00 0.00 C ATOM 306 O CYS A 23 15.048 8.280 1.597 1.00 0.00 O ATOM 307 CB CYS A 23 12.151 7.423 2.019 1.00 0.00 C ATOM 308 SG CYS A 23 10.768 6.263 1.903 1.00 0.00 S ATOM 0 H CYS A 23 13.840 5.725 1.046 1.00 0.00 H new ATOM 0 HA CYS A 23 12.267 7.962 -0.048 1.00 0.00 H new ATOM 0 HB2 CYS A 23 12.828 7.088 2.805 1.00 0.00 H new ATOM 0 HB3 CYS A 23 11.770 8.398 2.322 1.00 0.00 H new ATOM 0 HG CYS A 23 10.377 6.176 0.666 1.00 0.00 H new ATOM 313 N ARG A 24 13.961 9.715 0.270 1.00 0.00 N ATOM 314 CA ARG A 24 14.977 10.733 0.376 1.00 0.00 C ATOM 315 C ARG A 24 14.864 11.441 1.718 1.00 0.00 C ATOM 316 O ARG A 24 13.866 12.104 2.002 1.00 0.00 O ATOM 317 CB ARG A 24 14.829 11.709 -0.785 1.00 0.00 C ATOM 318 CG ARG A 24 15.840 12.832 -0.790 1.00 0.00 C ATOM 319 CD ARG A 24 15.872 13.491 -2.150 1.00 0.00 C ATOM 320 NE ARG A 24 16.261 14.898 -2.080 1.00 0.00 N ATOM 321 CZ ARG A 24 16.474 15.660 -3.151 1.00 0.00 C ATOM 322 NH1 ARG A 24 16.304 15.159 -4.368 1.00 0.00 N ATOM 323 NH2 ARG A 24 16.829 16.928 -3.009 1.00 0.00 N ATOM 0 H ARG A 24 13.173 9.963 -0.328 1.00 0.00 H new ATOM 0 HA ARG A 24 15.967 10.281 0.323 1.00 0.00 H new ATOM 0 HB2 ARG A 24 14.913 11.157 -1.721 1.00 0.00 H new ATOM 0 HB3 ARG A 24 13.827 12.138 -0.757 1.00 0.00 H new ATOM 0 HG2 ARG A 24 15.584 13.567 -0.027 1.00 0.00 H new ATOM 0 HG3 ARG A 24 16.828 12.444 -0.541 1.00 0.00 H new ATOM 0 HD2 ARG A 24 16.570 12.956 -2.793 1.00 0.00 H new ATOM 0 HD3 ARG A 24 14.888 13.412 -2.612 1.00 0.00 H new ATOM 0 HE ARG A 24 16.376 15.320 -1.159 1.00 0.00 H new ATOM 0 HH11 ARG A 24 16.010 14.189 -4.484 1.00 0.00 H new ATOM 0 HH12 ARG A 24 16.467 15.744 -5.188 1.00 0.00 H new ATOM 0 HH21 ARG A 24 16.940 17.325 -2.076 1.00 0.00 H new ATOM 0 HH22 ARG A 24 16.991 17.508 -3.833 1.00 0.00 H new ATOM 334 N ASN A 25 15.878 11.269 2.552 1.00 0.00 N ATOM 335 CA ASN A 25 15.885 11.885 3.865 1.00 0.00 C ATOM 336 C ASN A 25 16.250 13.358 3.757 1.00 0.00 C ATOM 337 O ASN A 25 16.695 13.808 2.694 1.00 0.00 O ATOM 338 CB ASN A 25 16.824 11.146 4.837 1.00 0.00 C ATOM 339 CG ASN A 25 18.292 11.172 4.438 1.00 0.00 C ATOM 340 OD1 ASN A 25 18.768 12.108 3.806 1.00 0.00 O ATOM 341 ND2 ASN A 25 19.024 10.138 4.816 1.00 0.00 N ATOM 0 H ASN A 25 16.704 10.709 2.341 1.00 0.00 H new ATOM 0 HA ASN A 25 14.878 11.809 4.276 1.00 0.00 H new ATOM 0 HB2 ASN A 25 16.722 11.588 5.828 1.00 0.00 H new ATOM 0 HB3 ASN A 25 16.500 10.108 4.916 1.00 0.00 H new ATOM 0 HD21 ASN A 25 20.016 10.103 4.583 1.00 0.00 H new ATOM 0 HD22 ASN A 25 18.596 9.375 5.341 1.00 0.00 H new ATOM 347 N ALA A 26 16.098 14.087 4.858 1.00 0.00 N ATOM 348 CA ALA A 26 16.374 15.521 4.892 1.00 0.00 C ATOM 349 C ALA A 26 17.800 15.853 4.460 1.00 0.00 C ATOM 350 O ALA A 26 18.051 16.924 3.905 1.00 0.00 O ATOM 351 CB ALA A 26 16.103 16.065 6.284 1.00 0.00 C ATOM 0 H ALA A 26 15.782 13.704 5.749 1.00 0.00 H new ATOM 0 HA ALA A 26 15.707 15.999 4.174 1.00 0.00 H new ATOM 0 HB1 ALA A 26 16.311 17.135 6.303 1.00 0.00 H new ATOM 0 HB2 ALA A 26 15.059 15.893 6.545 1.00 0.00 H new ATOM 0 HB3 ALA A 26 16.745 15.558 7.004 1.00 0.00 H new ATOM 357 N ASP A 27 18.728 14.933 4.689 1.00 0.00 N ATOM 358 CA ASP A 27 20.125 15.153 4.314 1.00 0.00 C ATOM 359 C ASP A 27 20.291 15.035 2.800 1.00 0.00 C ATOM 360 O ASP A 27 21.306 15.436 2.232 1.00 0.00 O ATOM 361 CB ASP A 27 21.039 14.152 5.035 1.00 0.00 C ATOM 362 CG ASP A 27 22.511 14.415 4.779 1.00 0.00 C ATOM 363 OD1 ASP A 27 23.023 15.459 5.235 1.00 0.00 O ATOM 364 OD2 ASP A 27 23.172 13.574 4.130 1.00 0.00 O ATOM 0 H ASP A 27 18.544 14.032 5.130 1.00 0.00 H new ATOM 0 HA ASP A 27 20.412 16.160 4.617 1.00 0.00 H new ATOM 0 HB2 ASP A 27 20.847 14.197 6.107 1.00 0.00 H new ATOM 0 HB3 ASP A 27 20.793 13.141 4.710 1.00 0.00 H new ATOM 368 N GLY A 28 19.261 14.505 2.153 1.00 0.00 N ATOM 369 CA GLY A 28 19.283 14.329 0.716 1.00 0.00 C ATOM 370 C GLY A 28 19.818 12.972 0.330 1.00 0.00 C ATOM 371 O GLY A 28 20.375 12.797 -0.753 1.00 0.00 O ATOM 0 H GLY A 28 18.402 14.191 2.605 1.00 0.00 H new ATOM 0 HA2 GLY A 28 18.275 14.450 0.319 1.00 0.00 H new ATOM 0 HA3 GLY A 28 19.899 15.106 0.263 1.00 0.00 H new ATOM 375 N ASN A 29 19.638 12.005 1.216 1.00 0.00 N ATOM 376 CA ASN A 29 20.129 10.649 0.975 1.00 0.00 C ATOM 377 C ASN A 29 18.958 9.695 0.774 1.00 0.00 C ATOM 378 O ASN A 29 17.844 9.974 1.208 1.00 0.00 O ATOM 379 CB ASN A 29 20.973 10.171 2.160 1.00 0.00 C ATOM 380 CG ASN A 29 22.034 9.151 1.770 1.00 0.00 C ATOM 381 OD1 ASN A 29 21.889 8.412 0.795 1.00 0.00 O ATOM 382 ND2 ASN A 29 23.106 9.098 2.541 1.00 0.00 N ATOM 0 H ASN A 29 19.158 12.129 2.107 1.00 0.00 H new ATOM 0 HA ASN A 29 20.745 10.661 0.076 1.00 0.00 H new ATOM 0 HB2 ASN A 29 21.458 11.031 2.622 1.00 0.00 H new ATOM 0 HB3 ASN A 29 20.316 9.733 2.912 1.00 0.00 H new ATOM 0 HD21 ASN A 29 23.848 8.429 2.337 1.00 0.00 H new ATOM 0 HD22 ASN A 29 23.191 9.726 3.340 1.00 0.00 H new ATOM 388 N TRP A 30 19.217 8.568 0.130 1.00 0.00 N ATOM 389 CA TRP A 30 18.180 7.577 -0.125 1.00 0.00 C ATOM 390 C TRP A 30 18.254 6.447 0.888 1.00 0.00 C ATOM 391 O TRP A 30 19.259 5.741 0.977 1.00 0.00 O ATOM 392 CB TRP A 30 18.307 7.017 -1.540 1.00 0.00 C ATOM 393 CG TRP A 30 18.001 8.023 -2.604 1.00 0.00 C ATOM 394 CD1 TRP A 30 18.889 8.634 -3.438 1.00 0.00 C ATOM 395 CD2 TRP A 30 16.712 8.547 -2.937 1.00 0.00 C ATOM 396 NE1 TRP A 30 18.224 9.496 -4.273 1.00 0.00 N ATOM 397 CE2 TRP A 30 16.891 9.463 -3.982 1.00 0.00 C ATOM 398 CE3 TRP A 30 15.423 8.329 -2.454 1.00 0.00 C ATOM 399 CZ2 TRP A 30 15.832 10.159 -4.556 1.00 0.00 C ATOM 400 CZ3 TRP A 30 14.373 9.022 -3.022 1.00 0.00 C ATOM 401 CH2 TRP A 30 14.582 9.928 -4.061 1.00 0.00 C ATOM 0 H TRP A 30 20.138 8.315 -0.227 1.00 0.00 H new ATOM 0 HA TRP A 30 17.213 8.070 -0.028 1.00 0.00 H new ATOM 0 HB2 TRP A 30 19.320 6.642 -1.685 1.00 0.00 H new ATOM 0 HB3 TRP A 30 17.633 6.167 -1.649 1.00 0.00 H new ATOM 0 HD1 TRP A 30 19.956 8.465 -3.441 1.00 0.00 H new ATOM 0 HE1 TRP A 30 18.657 10.070 -4.996 1.00 0.00 H new ATOM 0 HE3 TRP A 30 15.249 7.630 -1.649 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 15.994 10.857 -5.364 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 13.371 8.859 -2.655 1.00 0.00 H new ATOM 0 HH2 TRP A 30 13.739 10.456 -4.481 1.00 0.00 H new ATOM 411 N VAL A 31 17.179 6.273 1.640 1.00 0.00 N ATOM 412 CA VAL A 31 17.117 5.235 2.659 1.00 0.00 C ATOM 413 C VAL A 31 15.948 4.290 2.414 1.00 0.00 C ATOM 414 O VAL A 31 14.850 4.724 2.058 1.00 0.00 O ATOM 415 CB VAL A 31 16.998 5.833 4.079 1.00 0.00 C ATOM 416 CG1 VAL A 31 18.313 6.463 4.508 1.00 0.00 C ATOM 417 CG2 VAL A 31 15.877 6.859 4.162 1.00 0.00 C ATOM 0 H VAL A 31 16.334 6.839 1.564 1.00 0.00 H new ATOM 0 HA VAL A 31 18.051 4.677 2.591 1.00 0.00 H new ATOM 0 HB VAL A 31 16.758 5.015 4.758 1.00 0.00 H new ATOM 0 HG11 VAL A 31 18.208 6.878 5.510 1.00 0.00 H new ATOM 0 HG12 VAL A 31 19.096 5.705 4.510 1.00 0.00 H new ATOM 0 HG13 VAL A 31 18.579 7.258 3.812 1.00 0.00 H new ATOM 0 HG21 VAL A 31 15.823 7.258 5.175 1.00 0.00 H new ATOM 0 HG22 VAL A 31 16.074 7.671 3.462 1.00 0.00 H new ATOM 0 HG23 VAL A 31 14.929 6.384 3.908 1.00 0.00 H new ATOM 427 N THR A 32 16.191 2.999 2.584 1.00 0.00 N ATOM 428 CA THR A 32 15.157 1.999 2.396 1.00 0.00 C ATOM 429 C THR A 32 14.206 1.999 3.586 1.00 0.00 C ATOM 430 O THR A 32 14.575 1.593 4.692 1.00 0.00 O ATOM 431 CB THR A 32 15.758 0.590 2.238 1.00 0.00 C ATOM 432 OG1 THR A 32 16.821 0.612 1.278 1.00 0.00 O ATOM 433 CG2 THR A 32 14.693 -0.399 1.787 1.00 0.00 C ATOM 0 H THR A 32 17.099 2.621 2.853 1.00 0.00 H new ATOM 0 HA THR A 32 14.617 2.254 1.484 1.00 0.00 H new ATOM 0 HB THR A 32 16.148 0.276 3.206 1.00 0.00 H new ATOM 0 HG1 THR A 32 16.501 1.015 0.444 1.00 0.00 H new ATOM 0 HG21 THR A 32 15.137 -1.389 1.681 1.00 0.00 H new ATOM 0 HG22 THR A 32 13.895 -0.437 2.528 1.00 0.00 H new ATOM 0 HG23 THR A 32 14.283 -0.081 0.828 1.00 0.00 H new ATOM 441 N SER A 33 12.993 2.466 3.359 1.00 0.00 N ATOM 442 CA SER A 33 11.992 2.518 4.406 1.00 0.00 C ATOM 443 C SER A 33 10.755 1.732 3.997 1.00 0.00 C ATOM 444 O SER A 33 10.317 1.800 2.847 1.00 0.00 O ATOM 445 CB SER A 33 11.623 3.968 4.714 1.00 0.00 C ATOM 446 OG SER A 33 12.737 4.680 5.234 1.00 0.00 O ATOM 0 H SER A 33 12.677 2.816 2.455 1.00 0.00 H new ATOM 0 HA SER A 33 12.407 2.065 5.307 1.00 0.00 H new ATOM 0 HB2 SER A 33 11.267 4.456 3.807 1.00 0.00 H new ATOM 0 HB3 SER A 33 10.804 3.993 5.433 1.00 0.00 H new ATOM 0 HG SER A 33 12.656 5.629 5.003 1.00 0.00 H new ATOM 451 N GLU A 34 10.216 0.964 4.933 1.00 0.00 N ATOM 452 CA GLU A 34 9.036 0.160 4.671 1.00 0.00 C ATOM 453 C GLU A 34 7.919 0.518 5.644 1.00 0.00 C ATOM 454 O GLU A 34 8.175 0.882 6.794 1.00 0.00 O ATOM 455 CB GLU A 34 9.358 -1.335 4.792 1.00 0.00 C ATOM 456 CG GLU A 34 10.702 -1.740 4.208 1.00 0.00 C ATOM 457 CD GLU A 34 11.772 -1.885 5.272 1.00 0.00 C ATOM 458 OE1 GLU A 34 11.932 -0.964 6.097 1.00 0.00 O ATOM 459 OE2 GLU A 34 12.455 -2.930 5.292 1.00 0.00 O ATOM 0 H GLU A 34 10.580 0.882 5.882 1.00 0.00 H new ATOM 0 HA GLU A 34 8.707 0.371 3.653 1.00 0.00 H new ATOM 0 HB2 GLU A 34 9.335 -1.615 5.845 1.00 0.00 H new ATOM 0 HB3 GLU A 34 8.573 -1.904 4.294 1.00 0.00 H new ATOM 0 HG2 GLU A 34 10.594 -2.684 3.674 1.00 0.00 H new ATOM 0 HG3 GLU A 34 11.018 -0.995 3.478 1.00 0.00 H new ATOM 464 N LEU A 35 6.685 0.433 5.171 1.00 0.00 N ATOM 465 CA LEU A 35 5.519 0.724 6.001 1.00 0.00 C ATOM 466 C LEU A 35 4.434 -0.307 5.715 1.00 0.00 C ATOM 467 O LEU A 35 4.069 -0.525 4.557 1.00 0.00 O ATOM 468 CB LEU A 35 4.991 2.142 5.714 1.00 0.00 C ATOM 469 CG LEU A 35 4.160 2.814 6.828 1.00 0.00 C ATOM 470 CD1 LEU A 35 2.817 2.129 7.016 1.00 0.00 C ATOM 471 CD2 LEU A 35 4.935 2.828 8.138 1.00 0.00 C ATOM 0 H LEU A 35 6.461 0.164 4.213 1.00 0.00 H new ATOM 0 HA LEU A 35 5.805 0.674 7.052 1.00 0.00 H new ATOM 0 HB2 LEU A 35 5.844 2.784 5.492 1.00 0.00 H new ATOM 0 HB3 LEU A 35 4.380 2.101 4.812 1.00 0.00 H new ATOM 0 HG LEU A 35 3.968 3.842 6.520 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.261 2.630 7.808 1.00 0.00 H new ATOM 0 HD12 LEU A 35 2.250 2.179 6.087 1.00 0.00 H new ATOM 0 HD13 LEU A 35 2.976 1.086 7.288 1.00 0.00 H new ATOM 0 HD21 LEU A 35 4.334 3.305 8.912 1.00 0.00 H new ATOM 0 HD22 LEU A 35 5.164 1.805 8.436 1.00 0.00 H new ATOM 0 HD23 LEU A 35 5.863 3.384 8.006 1.00 0.00 H new ATOM 482 N ASP A 36 3.937 -0.947 6.763 1.00 0.00 N ATOM 483 CA ASP A 36 2.887 -1.949 6.614 1.00 0.00 C ATOM 484 C ASP A 36 1.524 -1.291 6.610 1.00 0.00 C ATOM 485 O ASP A 36 1.064 -0.784 7.634 1.00 0.00 O ATOM 486 CB ASP A 36 2.932 -2.985 7.741 1.00 0.00 C ATOM 487 CG ASP A 36 3.907 -4.109 7.478 1.00 0.00 C ATOM 488 OD1 ASP A 36 3.612 -4.966 6.622 1.00 0.00 O ATOM 489 OD2 ASP A 36 4.963 -4.154 8.141 1.00 0.00 O ATOM 0 H ASP A 36 4.241 -0.792 7.724 1.00 0.00 H new ATOM 0 HA ASP A 36 3.059 -2.455 5.664 1.00 0.00 H new ATOM 0 HB2 ASP A 36 3.203 -2.488 8.672 1.00 0.00 H new ATOM 0 HB3 ASP A 36 1.935 -3.403 7.882 1.00 0.00 H new ATOM 493 N LEU A 37 0.876 -1.293 5.460 1.00 0.00 N ATOM 494 CA LEU A 37 -0.449 -0.711 5.340 1.00 0.00 C ATOM 495 C LEU A 37 -1.504 -1.721 5.774 1.00 0.00 C ATOM 496 O LEU A 37 -2.658 -1.368 5.988 1.00 0.00 O ATOM 497 CB LEU A 37 -0.726 -0.287 3.897 1.00 0.00 C ATOM 498 CG LEU A 37 0.496 0.132 3.084 1.00 0.00 C ATOM 499 CD1 LEU A 37 0.083 0.473 1.666 1.00 0.00 C ATOM 500 CD2 LEU A 37 1.198 1.314 3.731 1.00 0.00 C ATOM 0 H LEU A 37 1.245 -1.691 4.596 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.492 0.168 5.984 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -1.216 -1.114 3.382 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -1.432 0.543 3.911 1.00 0.00 H new ATOM 0 HG LEU A 37 1.196 -0.703 3.058 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.961 0.771 1.093 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.375 -0.400 1.201 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.634 1.293 1.683 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.065 1.594 3.133 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.510 2.158 3.790 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.522 1.040 4.735 1.00 0.00 H new ATOM 511 N ASP A 38 -1.089 -2.978 5.921 1.00 0.00 N ATOM 512 CA ASP A 38 -2.002 -4.060 6.305 1.00 0.00 C ATOM 513 C ASP A 38 -2.633 -3.813 7.666 1.00 0.00 C ATOM 514 O ASP A 38 -3.750 -4.236 7.919 1.00 0.00 O ATOM 515 CB ASP A 38 -1.265 -5.400 6.339 1.00 0.00 C ATOM 516 CG ASP A 38 -2.191 -6.589 6.297 1.00 0.00 C ATOM 517 OD1 ASP A 38 -2.725 -6.897 5.209 1.00 0.00 O ATOM 518 OD2 ASP A 38 -2.365 -7.241 7.342 1.00 0.00 O ATOM 0 H ASP A 38 -0.124 -3.276 5.780 1.00 0.00 H new ATOM 0 HA ASP A 38 -2.791 -4.088 5.554 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -0.579 -5.452 5.493 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -0.659 -5.451 7.244 1.00 0.00 H new ATOM 522 N THR A 39 -1.924 -3.109 8.531 1.00 0.00 N ATOM 523 CA THR A 39 -2.424 -2.837 9.870 1.00 0.00 C ATOM 524 C THR A 39 -3.363 -1.622 9.883 1.00 0.00 C ATOM 525 O THR A 39 -3.878 -1.233 10.933 1.00 0.00 O ATOM 526 CB THR A 39 -1.254 -2.628 10.865 1.00 0.00 C ATOM 527 OG1 THR A 39 -1.740 -2.599 12.215 1.00 0.00 O ATOM 528 CG2 THR A 39 -0.497 -1.341 10.562 1.00 0.00 C ATOM 0 H THR A 39 -1.004 -2.716 8.333 1.00 0.00 H new ATOM 0 HA THR A 39 -2.998 -3.708 10.188 1.00 0.00 H new ATOM 0 HB THR A 39 -0.568 -3.467 10.750 1.00 0.00 H new ATOM 0 HG1 THR A 39 -2.646 -2.225 12.229 1.00 0.00 H new ATOM 0 HG21 THR A 39 0.318 -1.221 11.276 1.00 0.00 H new ATOM 0 HG22 THR A 39 -0.090 -1.387 9.552 1.00 0.00 H new ATOM 0 HG23 THR A 39 -1.176 -0.492 10.641 1.00 0.00 H new ATOM 536 N CYS A 40 -3.593 -1.030 8.715 1.00 0.00 N ATOM 537 CA CYS A 40 -4.466 0.136 8.616 1.00 0.00 C ATOM 538 C CYS A 40 -5.531 -0.042 7.529 1.00 0.00 C ATOM 539 O CYS A 40 -6.596 0.578 7.580 1.00 0.00 O ATOM 540 CB CYS A 40 -3.633 1.383 8.324 1.00 0.00 C ATOM 541 SG CYS A 40 -2.246 1.634 9.459 1.00 0.00 S ATOM 0 H CYS A 40 -3.190 -1.335 7.829 1.00 0.00 H new ATOM 0 HA CYS A 40 -4.980 0.249 9.571 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -3.248 1.318 7.306 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -4.283 2.257 8.364 1.00 0.00 H new ATOM 0 HG CYS A 40 -2.116 2.903 9.711 1.00 0.00 H new ATOM 546 N ILE A 41 -5.240 -0.886 6.551 1.00 0.00 N ATOM 547 CA ILE A 41 -6.161 -1.145 5.454 1.00 0.00 C ATOM 548 C ILE A 41 -6.865 -2.482 5.651 1.00 0.00 C ATOM 549 O ILE A 41 -6.238 -3.471 6.032 1.00 0.00 O ATOM 550 CB ILE A 41 -5.424 -1.161 4.093 1.00 0.00 C ATOM 551 CG1 ILE A 41 -4.771 0.193 3.809 1.00 0.00 C ATOM 552 CG2 ILE A 41 -6.371 -1.536 2.962 1.00 0.00 C ATOM 553 CD1 ILE A 41 -3.995 0.234 2.507 1.00 0.00 C ATOM 0 H ILE A 41 -4.365 -1.408 6.495 1.00 0.00 H new ATOM 0 HA ILE A 41 -6.895 -0.339 5.450 1.00 0.00 H new ATOM 0 HB ILE A 41 -4.641 -1.917 4.151 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.544 0.961 3.786 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -4.099 0.442 4.630 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -5.827 -1.539 2.018 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -6.784 -2.528 3.147 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -7.182 -0.810 2.911 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -3.561 1.225 2.373 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -3.199 -0.510 2.534 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -4.667 0.017 1.676 1.00 0.00 H new ATOM 564 N GLY A 42 -8.162 -2.507 5.395 1.00 0.00 N ATOM 565 CA GLY A 42 -8.917 -3.730 5.534 1.00 0.00 C ATOM 566 C GLY A 42 -9.990 -3.850 4.480 1.00 0.00 C ATOM 567 O GLY A 42 -10.555 -2.842 4.051 1.00 0.00 O ATOM 0 H GLY A 42 -8.706 -1.699 5.093 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -8.242 -4.583 5.464 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -9.374 -3.765 6.523 1.00 0.00 H new ATOM 571 N ASN A 43 -10.270 -5.077 4.056 1.00 0.00 N ATOM 572 CA ASN A 43 -11.273 -5.319 3.024 1.00 0.00 C ATOM 573 C ASN A 43 -11.927 -6.708 3.138 1.00 0.00 C ATOM 574 O ASN A 43 -12.071 -7.402 2.130 1.00 0.00 O ATOM 575 CB ASN A 43 -10.618 -5.184 1.644 1.00 0.00 C ATOM 576 CG ASN A 43 -9.535 -6.223 1.396 1.00 0.00 C ATOM 577 OD1 ASN A 43 -8.890 -6.712 2.323 1.00 0.00 O ATOM 578 ND2 ASN A 43 -9.328 -6.561 0.140 1.00 0.00 N ATOM 0 H ASN A 43 -9.817 -5.920 4.410 1.00 0.00 H new ATOM 0 HA ASN A 43 -12.061 -4.578 3.160 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -11.384 -5.275 0.874 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -10.187 -4.188 1.549 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -8.613 -7.250 -0.091 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -9.883 -6.134 -0.601 1.00 0.00 H new ATOM 584 N PRO A 44 -12.395 -7.123 4.334 1.00 0.00 N ATOM 585 CA PRO A 44 -13.015 -8.443 4.503 1.00 0.00 C ATOM 586 C PRO A 44 -14.390 -8.508 3.852 1.00 0.00 C ATOM 587 O PRO A 44 -14.891 -9.585 3.525 1.00 0.00 O ATOM 588 CB PRO A 44 -13.126 -8.595 6.020 1.00 0.00 C ATOM 589 CG PRO A 44 -13.212 -7.202 6.531 1.00 0.00 C ATOM 590 CD PRO A 44 -12.396 -6.353 5.593 1.00 0.00 C ATOM 0 HA PRO A 44 -12.435 -9.236 4.032 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -14.007 -9.174 6.297 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -12.261 -9.115 6.431 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -14.247 -6.863 6.561 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -12.826 -7.137 7.548 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -12.839 -5.366 5.458 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -11.385 -6.200 5.969 1.00 0.00 H new ATOM 595 N ASN A 45 -14.995 -7.341 3.664 1.00 0.00 N ATOM 596 CA ASN A 45 -16.306 -7.251 3.036 1.00 0.00 C ATOM 597 C ASN A 45 -16.156 -7.253 1.524 1.00 0.00 C ATOM 598 O ASN A 45 -17.118 -7.458 0.790 1.00 0.00 O ATOM 599 CB ASN A 45 -17.050 -5.979 3.462 1.00 0.00 C ATOM 600 CG ASN A 45 -17.370 -5.918 4.944 1.00 0.00 C ATOM 601 OD1 ASN A 45 -16.580 -6.340 5.790 1.00 0.00 O ATOM 602 ND2 ASN A 45 -18.544 -5.394 5.265 1.00 0.00 N ATOM 0 H ASN A 45 -14.597 -6.443 3.938 1.00 0.00 H new ATOM 0 HA ASN A 45 -16.886 -8.116 3.359 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -16.447 -5.111 3.195 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -17.979 -5.908 2.897 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -18.823 -5.329 6.244 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -19.169 -5.056 4.533 1.00 0.00 H new ATOM 608 N GLY A 46 -14.936 -7.032 1.059 1.00 0.00 N ATOM 609 CA GLY A 46 -14.694 -6.996 -0.363 1.00 0.00 C ATOM 610 C GLY A 46 -14.459 -5.591 -0.878 1.00 0.00 C ATOM 611 O GLY A 46 -14.411 -5.369 -2.084 1.00 0.00 O ATOM 0 H GLY A 46 -14.113 -6.878 1.641 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -13.827 -7.614 -0.596 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -15.546 -7.432 -0.884 1.00 0.00 H new ATOM 615 N PHE A 47 -14.330 -4.639 0.034 1.00 0.00 N ATOM 616 CA PHE A 47 -14.090 -3.254 -0.342 1.00 0.00 C ATOM 617 C PHE A 47 -12.828 -2.737 0.329 1.00 0.00 C ATOM 618 O PHE A 47 -12.636 -2.920 1.528 1.00 0.00 O ATOM 619 CB PHE A 47 -15.286 -2.375 0.021 1.00 0.00 C ATOM 620 CG PHE A 47 -16.528 -2.718 -0.751 1.00 0.00 C ATOM 621 CD1 PHE A 47 -16.581 -2.514 -2.122 1.00 0.00 C ATOM 622 CD2 PHE A 47 -17.640 -3.237 -0.110 1.00 0.00 C ATOM 623 CE1 PHE A 47 -17.721 -2.824 -2.837 1.00 0.00 C ATOM 624 CE2 PHE A 47 -18.784 -3.549 -0.820 1.00 0.00 C ATOM 625 CZ PHE A 47 -18.823 -3.341 -2.186 1.00 0.00 C ATOM 0 H PHE A 47 -14.387 -4.800 1.040 1.00 0.00 H new ATOM 0 HA PHE A 47 -13.955 -3.212 -1.423 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -15.490 -2.473 1.087 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -15.030 -1.331 -0.160 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -15.722 -2.109 -2.636 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -17.613 -3.400 0.957 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -17.750 -2.662 -3.904 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -19.645 -3.954 -0.309 1.00 0.00 H new ATOM 0 HZ PHE A 47 -19.716 -3.583 -2.744 1.00 0.00 H new ATOM 634 N LEU A 48 -11.988 -2.081 -0.454 1.00 0.00 N ATOM 635 CA LEU A 48 -10.718 -1.552 0.030 1.00 0.00 C ATOM 636 C LEU A 48 -10.896 -0.197 0.696 1.00 0.00 C ATOM 637 O LEU A 48 -11.516 0.706 0.130 1.00 0.00 O ATOM 638 CB LEU A 48 -9.753 -1.400 -1.145 1.00 0.00 C ATOM 639 CG LEU A 48 -9.288 -2.701 -1.789 1.00 0.00 C ATOM 640 CD1 LEU A 48 -8.520 -2.408 -3.066 1.00 0.00 C ATOM 641 CD2 LEU A 48 -8.424 -3.495 -0.824 1.00 0.00 C ATOM 0 H LEU A 48 -12.164 -1.899 -1.442 1.00 0.00 H new ATOM 0 HA LEU A 48 -10.322 -2.250 0.767 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -10.233 -0.789 -1.909 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -8.876 -0.851 -0.803 1.00 0.00 H new ATOM 0 HG LEU A 48 -10.166 -3.298 -2.036 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -8.193 -3.345 -3.517 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -9.165 -1.875 -3.764 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -7.650 -1.794 -2.834 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -8.102 -4.420 -1.301 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -7.550 -2.905 -0.548 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -9.000 -3.730 0.071 1.00 0.00 H new ATOM 652 N GLY A 49 -10.344 -0.058 1.890 1.00 0.00 N ATOM 653 CA GLY A 49 -10.436 1.195 2.600 1.00 0.00 C ATOM 654 C GLY A 49 -9.610 1.193 3.867 1.00 0.00 C ATOM 655 O GLY A 49 -9.069 0.156 4.259 1.00 0.00 O ATOM 0 H GLY A 49 -9.833 -0.793 2.380 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -10.102 2.004 1.951 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -11.478 1.395 2.848 1.00 0.00 H new ATOM 659 N TRP A 50 -9.514 2.349 4.503 1.00 0.00 N ATOM 660 CA TRP A 50 -8.754 2.483 5.736 1.00 0.00 C ATOM 661 C TRP A 50 -9.690 2.333 6.928 1.00 0.00 C ATOM 662 O TRP A 50 -10.693 3.046 7.030 1.00 0.00 O ATOM 663 CB TRP A 50 -8.052 3.849 5.793 1.00 0.00 C ATOM 664 CG TRP A 50 -7.053 4.073 4.691 1.00 0.00 C ATOM 665 CD1 TRP A 50 -7.289 4.617 3.460 1.00 0.00 C ATOM 666 CD2 TRP A 50 -5.654 3.768 4.730 1.00 0.00 C ATOM 667 NE1 TRP A 50 -6.123 4.662 2.733 1.00 0.00 N ATOM 668 CE2 TRP A 50 -5.109 4.143 3.488 1.00 0.00 C ATOM 669 CE3 TRP A 50 -4.810 3.209 5.691 1.00 0.00 C ATOM 670 CZ2 TRP A 50 -3.761 3.978 3.184 1.00 0.00 C ATOM 671 CZ3 TRP A 50 -3.472 3.048 5.387 1.00 0.00 C ATOM 672 CH2 TRP A 50 -2.959 3.429 4.143 1.00 0.00 C ATOM 0 H TRP A 50 -9.955 3.212 4.184 1.00 0.00 H new ATOM 0 HA TRP A 50 -7.994 1.703 5.767 1.00 0.00 H new ATOM 0 HB2 TRP A 50 -8.806 4.635 5.750 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -7.545 3.945 6.753 1.00 0.00 H new ATOM 0 HD1 TRP A 50 -8.251 4.961 3.109 1.00 0.00 H new ATOM 0 HE1 TRP A 50 -6.030 5.024 1.784 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -5.196 2.908 6.654 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 -3.364 4.274 2.224 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -2.809 2.620 6.124 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -1.908 3.286 3.937 1.00 0.00 H new ATOM 682 N GLY A 51 -9.367 1.407 7.822 1.00 0.00 N ATOM 683 CA GLY A 51 -10.199 1.188 8.986 1.00 0.00 C ATOM 684 C GLY A 51 -9.829 -0.075 9.737 1.00 0.00 C ATOM 685 O GLY A 51 -9.488 -0.024 10.921 1.00 0.00 O ATOM 0 H GLY A 51 -8.545 0.806 7.761 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -10.112 2.043 9.656 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -11.243 1.130 8.676 1.00 0.00 H new ATOM 689 N MET A 52 -9.900 -1.212 9.060 1.00 0.00 N ATOM 690 CA MET A 52 -9.565 -2.489 9.675 1.00 0.00 C ATOM 691 C MET A 52 -8.122 -2.867 9.341 1.00 0.00 C ATOM 692 O MET A 52 -7.296 -1.992 9.091 1.00 0.00 O ATOM 693 CB MET A 52 -10.529 -3.574 9.191 1.00 0.00 C ATOM 694 CG MET A 52 -10.937 -4.548 10.287 1.00 0.00 C ATOM 695 SD MET A 52 -11.889 -5.951 9.669 1.00 0.00 S ATOM 696 CE MET A 52 -10.605 -6.901 8.856 1.00 0.00 C ATOM 0 H MET A 52 -10.187 -1.277 8.083 1.00 0.00 H new ATOM 0 HA MET A 52 -9.660 -2.399 10.757 1.00 0.00 H new ATOM 0 HB2 MET A 52 -11.423 -3.101 8.783 1.00 0.00 H new ATOM 0 HB3 MET A 52 -10.062 -4.128 8.377 1.00 0.00 H new ATOM 0 HG2 MET A 52 -10.042 -4.916 10.789 1.00 0.00 H new ATOM 0 HG3 MET A 52 -11.526 -4.018 11.035 1.00 0.00 H new ATOM 0 HE1 MET A 52 -10.986 -7.892 8.610 1.00 0.00 H new ATOM 0 HE2 MET A 52 -10.300 -6.393 7.941 1.00 0.00 H new ATOM 0 HE3 MET A 52 -9.747 -6.997 9.521 1.00 0.00 H new ATOM 704 N GLN A 53 -7.817 -4.158 9.359 1.00 0.00 N ATOM 705 CA GLN A 53 -6.473 -4.627 9.054 1.00 0.00 C ATOM 706 C GLN A 53 -6.512 -5.984 8.357 1.00 0.00 C ATOM 707 O GLN A 53 -7.576 -6.591 8.233 1.00 0.00 O ATOM 708 CB GLN A 53 -5.636 -4.725 10.333 1.00 0.00 C ATOM 709 CG GLN A 53 -6.242 -5.636 11.388 1.00 0.00 C ATOM 710 CD GLN A 53 -5.319 -5.886 12.569 1.00 0.00 C ATOM 711 OE1 GLN A 53 -4.016 -5.926 12.325 1.00 0.00 O flip ATOM 712 NE2 GLN A 53 -5.775 -6.068 13.694 1.00 0.00 N flip ATOM 0 H GLN A 53 -8.482 -4.898 9.582 1.00 0.00 H new ATOM 0 HA GLN A 53 -6.012 -3.904 8.381 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -4.641 -5.089 10.079 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -5.513 -3.727 10.754 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -7.171 -5.195 11.749 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -6.500 -6.590 10.929 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -6.783 -6.031 13.848 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -5.146 -6.257 14.475 1.00 0.00 H new ATOM 719 N ASN A 54 -5.339 -6.443 7.918 1.00 0.00 N ATOM 720 CA ASN A 54 -5.180 -7.728 7.236 1.00 0.00 C ATOM 721 C ASN A 54 -5.909 -7.744 5.894 1.00 0.00 C ATOM 722 O ASN A 54 -6.744 -8.619 5.635 1.00 0.00 O ATOM 723 CB ASN A 54 -5.675 -8.896 8.104 1.00 0.00 C ATOM 724 CG ASN A 54 -4.727 -9.270 9.225 1.00 0.00 C ATOM 725 OD1 ASN A 54 -4.961 -8.721 10.406 1.00 0.00 O flip ATOM 726 ND2 ASN A 54 -3.815 -10.078 9.040 1.00 0.00 N flip ATOM 0 H ASN A 54 -4.465 -5.929 8.027 1.00 0.00 H new ATOM 0 HA ASN A 54 -4.112 -7.855 7.057 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -6.643 -8.634 8.532 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -5.833 -9.767 7.468 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -3.668 -10.478 8.113 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -3.207 -10.347 9.814 1.00 0.00 H new ATOM 732 N PHE A 55 -5.592 -6.783 5.038 1.00 0.00 N ATOM 733 CA PHE A 55 -6.222 -6.701 3.731 1.00 0.00 C ATOM 734 C PHE A 55 -5.471 -7.545 2.703 1.00 0.00 C ATOM 735 O PHE A 55 -6.057 -8.002 1.724 1.00 0.00 O ATOM 736 CB PHE A 55 -6.300 -5.246 3.255 1.00 0.00 C ATOM 737 CG PHE A 55 -5.025 -4.721 2.652 1.00 0.00 C ATOM 738 CD1 PHE A 55 -3.980 -4.322 3.460 1.00 0.00 C ATOM 739 CD2 PHE A 55 -4.876 -4.628 1.276 1.00 0.00 C ATOM 740 CE1 PHE A 55 -2.807 -3.838 2.916 1.00 0.00 C ATOM 741 CE2 PHE A 55 -3.705 -4.145 0.723 1.00 0.00 C ATOM 742 CZ PHE A 55 -2.668 -3.751 1.544 1.00 0.00 C ATOM 0 H PHE A 55 -4.905 -6.053 5.225 1.00 0.00 H new ATOM 0 HA PHE A 55 -7.234 -7.095 3.828 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -7.099 -5.160 2.518 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -6.576 -4.614 4.099 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -4.081 -4.389 4.533 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -5.684 -4.937 0.629 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -1.999 -3.528 3.562 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -3.602 -4.076 -0.350 1.00 0.00 H new ATOM 0 HZ PHE A 55 -1.750 -3.376 1.115 1.00 0.00 H new ATOM 751 N SER A 56 -4.177 -7.756 2.932 1.00 0.00 N ATOM 752 CA SER A 56 -3.348 -8.525 2.006 1.00 0.00 C ATOM 753 C SER A 56 -3.863 -9.955 1.865 1.00 0.00 C ATOM 754 O SER A 56 -3.832 -10.536 0.780 1.00 0.00 O ATOM 755 CB SER A 56 -1.887 -8.518 2.469 1.00 0.00 C ATOM 756 OG SER A 56 -1.774 -8.929 3.820 1.00 0.00 O ATOM 0 H SER A 56 -3.680 -7.405 3.751 1.00 0.00 H new ATOM 0 HA SER A 56 -3.405 -8.053 1.025 1.00 0.00 H new ATOM 0 HB2 SER A 56 -1.299 -9.181 1.834 1.00 0.00 H new ATOM 0 HB3 SER A 56 -1.472 -7.517 2.355 1.00 0.00 H new ATOM 0 HG SER A 56 -2.095 -8.213 4.408 1.00 0.00 H new ATOM 761 N HIS A 57 -4.364 -10.504 2.964 1.00 0.00 N ATOM 762 CA HIS A 57 -4.898 -11.861 2.968 1.00 0.00 C ATOM 763 C HIS A 57 -6.289 -11.908 2.344 1.00 0.00 C ATOM 764 O HIS A 57 -6.806 -12.981 2.039 1.00 0.00 O ATOM 765 CB HIS A 57 -4.945 -12.419 4.393 1.00 0.00 C ATOM 766 CG HIS A 57 -3.649 -13.015 4.858 1.00 0.00 C ATOM 767 ND1 HIS A 57 -2.687 -12.304 5.545 1.00 0.00 N ATOM 768 CD2 HIS A 57 -3.168 -14.274 4.744 1.00 0.00 C ATOM 769 CE1 HIS A 57 -1.672 -13.100 5.832 1.00 0.00 C ATOM 770 NE2 HIS A 57 -1.939 -14.300 5.355 1.00 0.00 N ATOM 0 H HIS A 57 -4.412 -10.030 3.866 1.00 0.00 H new ATOM 0 HA HIS A 57 -4.231 -12.480 2.368 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -5.231 -11.619 5.076 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -5.724 -13.180 4.449 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -3.660 -15.105 4.261 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -0.777 -12.816 6.366 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -1.331 -15.116 5.428 1.00 0.00 H new ATOM 778 N SER A 58 -6.883 -10.742 2.135 1.00 0.00 N ATOM 779 CA SER A 58 -8.214 -10.660 1.553 1.00 0.00 C ATOM 780 C SER A 58 -8.151 -10.007 0.170 1.00 0.00 C ATOM 781 O SER A 58 -9.153 -9.511 -0.344 1.00 0.00 O ATOM 782 CB SER A 58 -9.142 -9.861 2.477 1.00 0.00 C ATOM 783 OG SER A 58 -8.932 -10.207 3.839 1.00 0.00 O ATOM 0 H SER A 58 -6.464 -9.840 2.360 1.00 0.00 H new ATOM 0 HA SER A 58 -8.611 -11.669 1.441 1.00 0.00 H new ATOM 0 HB2 SER A 58 -8.967 -8.794 2.339 1.00 0.00 H new ATOM 0 HB3 SER A 58 -10.181 -10.051 2.207 1.00 0.00 H new ATOM 0 HG SER A 58 -8.251 -9.618 4.225 1.00 0.00 H new ATOM 788 N SER A 59 -6.969 -10.015 -0.435 1.00 0.00 N ATOM 789 CA SER A 59 -6.791 -9.411 -1.745 1.00 0.00 C ATOM 790 C SER A 59 -5.960 -10.300 -2.660 1.00 0.00 C ATOM 791 O SER A 59 -5.181 -11.136 -2.199 1.00 0.00 O ATOM 792 CB SER A 59 -6.105 -8.051 -1.613 1.00 0.00 C ATOM 793 OG SER A 59 -6.814 -7.199 -0.736 1.00 0.00 O ATOM 0 H SER A 59 -6.126 -10.431 -0.040 1.00 0.00 H new ATOM 0 HA SER A 59 -7.781 -9.286 -2.184 1.00 0.00 H new ATOM 0 HB2 SER A 59 -5.088 -8.189 -1.246 1.00 0.00 H new ATOM 0 HB3 SER A 59 -6.029 -7.583 -2.595 1.00 0.00 H new ATOM 0 HG SER A 59 -6.436 -7.269 0.165 1.00 0.00 H new ATOM 798 N GLU A 60 -6.147 -10.111 -3.959 1.00 0.00 N ATOM 799 CA GLU A 60 -5.416 -10.855 -4.970 1.00 0.00 C ATOM 800 C GLU A 60 -4.812 -9.880 -5.974 1.00 0.00 C ATOM 801 O GLU A 60 -5.461 -8.901 -6.347 1.00 0.00 O ATOM 802 CB GLU A 60 -6.347 -11.847 -5.670 1.00 0.00 C ATOM 803 CG GLU A 60 -6.828 -12.965 -4.757 1.00 0.00 C ATOM 804 CD GLU A 60 -7.928 -13.805 -5.372 1.00 0.00 C ATOM 805 OE1 GLU A 60 -7.754 -14.283 -6.512 1.00 0.00 O ATOM 806 OE2 GLU A 60 -8.975 -13.987 -4.715 1.00 0.00 O ATOM 0 H GLU A 60 -6.811 -9.437 -4.340 1.00 0.00 H new ATOM 0 HA GLU A 60 -4.612 -11.420 -4.498 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -7.211 -11.310 -6.062 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -5.828 -12.282 -6.524 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -5.985 -13.609 -4.506 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -7.188 -12.533 -3.823 1.00 0.00 H new ATOM 811 N ASP A 61 -3.566 -10.139 -6.374 1.00 0.00 N ATOM 812 CA ASP A 61 -2.840 -9.287 -7.325 1.00 0.00 C ATOM 813 C ASP A 61 -2.736 -7.860 -6.800 1.00 0.00 C ATOM 814 O ASP A 61 -3.486 -6.972 -7.204 1.00 0.00 O ATOM 815 CB ASP A 61 -3.495 -9.295 -8.712 1.00 0.00 C ATOM 816 CG ASP A 61 -2.724 -8.453 -9.715 1.00 0.00 C ATOM 817 OD1 ASP A 61 -1.506 -8.670 -9.866 1.00 0.00 O ATOM 818 OD2 ASP A 61 -3.337 -7.579 -10.366 1.00 0.00 O ATOM 0 H ASP A 61 -3.030 -10.944 -6.050 1.00 0.00 H new ATOM 0 HA ASP A 61 -1.837 -9.700 -7.428 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -3.560 -10.321 -9.075 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -4.515 -8.919 -8.633 1.00 0.00 H new ATOM 822 N ILE A 62 -1.800 -7.648 -5.891 1.00 0.00 N ATOM 823 CA ILE A 62 -1.598 -6.335 -5.299 1.00 0.00 C ATOM 824 C ILE A 62 -0.442 -5.612 -5.982 1.00 0.00 C ATOM 825 O ILE A 62 0.715 -6.019 -5.862 1.00 0.00 O ATOM 826 CB ILE A 62 -1.318 -6.449 -3.787 1.00 0.00 C ATOM 827 CG1 ILE A 62 -2.468 -7.190 -3.094 1.00 0.00 C ATOM 828 CG2 ILE A 62 -1.118 -5.068 -3.181 1.00 0.00 C ATOM 829 CD1 ILE A 62 -2.234 -7.441 -1.620 1.00 0.00 C ATOM 0 H ILE A 62 -1.166 -8.369 -5.546 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.513 -5.761 -5.443 1.00 0.00 H new ATOM 0 HB ILE A 62 -0.402 -7.020 -3.638 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -3.384 -6.612 -3.213 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -2.626 -8.145 -3.595 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -0.921 -5.164 -2.113 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -0.272 -4.578 -3.663 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -2.017 -4.471 -3.332 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -3.090 -7.969 -1.200 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -1.336 -8.046 -1.492 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -2.106 -6.489 -1.105 1.00 0.00 H new ATOM 840 N LYS A 63 -0.765 -4.540 -6.690 1.00 0.00 N ATOM 841 CA LYS A 63 0.229 -3.760 -7.414 1.00 0.00 C ATOM 842 C LYS A 63 -0.001 -2.271 -7.189 1.00 0.00 C ATOM 843 O LYS A 63 -1.050 -1.867 -6.699 1.00 0.00 O ATOM 844 CB LYS A 63 0.135 -4.066 -8.914 1.00 0.00 C ATOM 845 CG LYS A 63 1.425 -4.590 -9.528 1.00 0.00 C ATOM 846 CD LYS A 63 1.316 -6.068 -9.886 1.00 0.00 C ATOM 847 CE LYS A 63 1.212 -6.943 -8.648 1.00 0.00 C ATOM 848 NZ LYS A 63 0.920 -8.363 -8.978 1.00 0.00 N ATOM 0 H LYS A 63 -1.718 -4.187 -6.779 1.00 0.00 H new ATOM 0 HA LYS A 63 1.219 -4.028 -7.045 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -0.654 -4.800 -9.074 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.162 -3.159 -9.440 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.663 -4.015 -10.423 1.00 0.00 H new ATOM 0 HG3 LYS A 63 2.247 -4.444 -8.828 1.00 0.00 H new ATOM 0 HD2 LYS A 63 0.441 -6.225 -10.517 1.00 0.00 H new ATOM 0 HD3 LYS A 63 2.187 -6.366 -10.469 1.00 0.00 H new ATOM 0 HE2 LYS A 63 2.146 -6.888 -8.088 1.00 0.00 H new ATOM 0 HE3 LYS A 63 0.428 -6.556 -7.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 1.264 -8.975 -8.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -0.106 -8.490 -9.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 1.397 -8.618 -9.866 1.00 0.00 H new ATOM 858 N LEU A 64 0.987 -1.460 -7.523 1.00 0.00 N ATOM 859 CA LEU A 64 0.860 -0.016 -7.380 1.00 0.00 C ATOM 860 C LEU A 64 0.436 0.591 -8.715 1.00 0.00 C ATOM 861 O LEU A 64 1.185 0.569 -9.691 1.00 0.00 O ATOM 862 CB LEU A 64 2.175 0.600 -6.877 1.00 0.00 C ATOM 863 CG LEU A 64 2.461 0.369 -5.392 1.00 0.00 C ATOM 864 CD1 LEU A 64 3.901 0.730 -5.059 1.00 0.00 C ATOM 865 CD2 LEU A 64 1.503 1.183 -4.538 1.00 0.00 C ATOM 0 H LEU A 64 1.884 -1.773 -7.894 1.00 0.00 H new ATOM 0 HA LEU A 64 0.094 0.206 -6.637 1.00 0.00 H new ATOM 0 HB2 LEU A 64 2.999 0.190 -7.460 1.00 0.00 H new ATOM 0 HB3 LEU A 64 2.154 1.673 -7.067 1.00 0.00 H new ATOM 0 HG LEU A 64 2.313 -0.689 -5.175 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.083 0.558 -3.998 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.577 0.110 -5.648 1.00 0.00 H new ATOM 0 HD13 LEU A 64 4.076 1.780 -5.292 1.00 0.00 H new ATOM 0 HD21 LEU A 64 1.718 1.009 -3.484 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.625 2.242 -4.763 1.00 0.00 H new ATOM 0 HD23 LEU A 64 0.478 0.882 -4.754 1.00 0.00 H new ATOM 876 N GLU A 65 -0.770 1.160 -8.730 1.00 0.00 N ATOM 877 CA GLU A 65 -1.349 1.742 -9.937 1.00 0.00 C ATOM 878 C GLU A 65 -0.558 2.956 -10.393 1.00 0.00 C ATOM 879 O GLU A 65 -0.119 3.033 -11.536 1.00 0.00 O ATOM 880 CB GLU A 65 -2.800 2.144 -9.677 1.00 0.00 C ATOM 881 CG GLU A 65 -3.577 2.482 -10.938 1.00 0.00 C ATOM 882 CD GLU A 65 -3.691 1.303 -11.883 1.00 0.00 C ATOM 883 OE1 GLU A 65 -4.340 0.304 -11.515 1.00 0.00 O ATOM 884 OE2 GLU A 65 -3.130 1.366 -12.995 1.00 0.00 O ATOM 0 H GLU A 65 -1.370 1.229 -7.908 1.00 0.00 H new ATOM 0 HA GLU A 65 -1.312 0.991 -10.726 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -3.305 1.330 -9.157 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -2.815 3.006 -9.010 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -4.576 2.823 -10.665 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -3.087 3.309 -11.452 1.00 0.00 H new ATOM 889 N GLU A 66 -0.386 3.903 -9.484 1.00 0.00 N ATOM 890 CA GLU A 66 0.354 5.118 -9.780 1.00 0.00 C ATOM 891 C GLU A 66 1.829 4.912 -9.497 1.00 0.00 C ATOM 892 O GLU A 66 2.622 5.848 -9.532 1.00 0.00 O ATOM 893 CB GLU A 66 -0.186 6.274 -8.944 1.00 0.00 C ATOM 894 CG GLU A 66 -1.652 6.555 -9.202 1.00 0.00 C ATOM 895 CD GLU A 66 -1.907 7.028 -10.619 1.00 0.00 C ATOM 896 OE1 GLU A 66 -1.505 8.162 -10.951 1.00 0.00 O ATOM 897 OE2 GLU A 66 -2.504 6.268 -11.409 1.00 0.00 O ATOM 0 H GLU A 66 -0.750 3.852 -8.533 1.00 0.00 H new ATOM 0 HA GLU A 66 0.231 5.359 -10.836 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -0.045 6.048 -7.887 1.00 0.00 H new ATOM 0 HB3 GLU A 66 0.394 7.172 -9.158 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -2.231 5.651 -9.013 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -2.004 7.311 -8.500 1.00 0.00 H new ATOM 902 N GLY A 67 2.182 3.672 -9.207 1.00 0.00 N ATOM 903 CA GLY A 67 3.558 3.343 -8.905 1.00 0.00 C ATOM 904 C GLY A 67 3.965 3.844 -7.537 1.00 0.00 C ATOM 905 O GLY A 67 5.148 4.021 -7.263 1.00 0.00 O ATOM 0 H GLY A 67 1.537 2.883 -9.175 1.00 0.00 H new ATOM 0 HA2 GLY A 67 3.693 2.262 -8.952 1.00 0.00 H new ATOM 0 HA3 GLY A 67 4.211 3.779 -9.661 1.00 0.00 H new ATOM 909 N GLY A 68 2.979 4.087 -6.680 1.00 0.00 N ATOM 910 CA GLY A 68 3.276 4.562 -5.349 1.00 0.00 C ATOM 911 C GLY A 68 2.119 5.307 -4.716 1.00 0.00 C ATOM 912 O GLY A 68 1.733 5.008 -3.589 1.00 0.00 O ATOM 0 H GLY A 68 1.987 3.963 -6.885 1.00 0.00 H new ATOM 0 HA2 GLY A 68 3.544 3.715 -4.718 1.00 0.00 H new ATOM 0 HA3 GLY A 68 4.146 5.218 -5.389 1.00 0.00 H new ATOM 916 N ARG A 69 1.554 6.266 -5.444 1.00 0.00 N ATOM 917 CA ARG A 69 0.436 7.061 -4.927 1.00 0.00 C ATOM 918 C ARG A 69 -0.824 6.221 -4.721 1.00 0.00 C ATOM 919 O ARG A 69 -1.664 6.551 -3.883 1.00 0.00 O ATOM 920 CB ARG A 69 0.099 8.220 -5.873 1.00 0.00 C ATOM 921 CG ARG A 69 0.690 9.567 -5.479 1.00 0.00 C ATOM 922 CD ARG A 69 2.206 9.553 -5.517 1.00 0.00 C ATOM 923 NE ARG A 69 2.774 10.899 -5.470 1.00 0.00 N ATOM 924 CZ ARG A 69 3.831 11.276 -6.193 1.00 0.00 C ATOM 925 NH1 ARG A 69 4.404 10.417 -7.028 1.00 0.00 N ATOM 926 NH2 ARG A 69 4.307 12.510 -6.093 1.00 0.00 N ATOM 0 H ARG A 69 1.847 6.513 -6.389 1.00 0.00 H new ATOM 0 HA ARG A 69 0.762 7.450 -3.962 1.00 0.00 H new ATOM 0 HB2 ARG A 69 0.449 7.966 -6.873 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -0.985 8.319 -5.930 1.00 0.00 H new ATOM 0 HG2 ARG A 69 0.317 10.338 -6.153 1.00 0.00 H new ATOM 0 HG3 ARG A 69 0.355 9.831 -4.476 1.00 0.00 H new ATOM 0 HD2 ARG A 69 2.583 8.972 -4.675 1.00 0.00 H new ATOM 0 HD3 ARG A 69 2.540 9.052 -6.425 1.00 0.00 H new ATOM 0 HE ARG A 69 2.340 11.586 -4.853 1.00 0.00 H new ATOM 0 HH11 ARG A 69 4.036 9.470 -7.117 1.00 0.00 H new ATOM 0 HH12 ARG A 69 5.212 10.705 -7.581 1.00 0.00 H new ATOM 0 HH21 ARG A 69 3.865 13.177 -5.461 1.00 0.00 H new ATOM 0 HH22 ARG A 69 5.115 12.792 -6.648 1.00 0.00 H new ATOM 937 N LYS A 70 -0.964 5.139 -5.479 1.00 0.00 N ATOM 938 CA LYS A 70 -2.152 4.303 -5.368 1.00 0.00 C ATOM 939 C LYS A 70 -1.815 2.830 -5.501 1.00 0.00 C ATOM 940 O LYS A 70 -0.936 2.452 -6.275 1.00 0.00 O ATOM 941 CB LYS A 70 -3.162 4.692 -6.444 1.00 0.00 C ATOM 942 CG LYS A 70 -4.568 4.166 -6.187 1.00 0.00 C ATOM 943 CD LYS A 70 -5.595 4.849 -7.075 1.00 0.00 C ATOM 944 CE LYS A 70 -5.281 4.662 -8.549 1.00 0.00 C ATOM 945 NZ LYS A 70 -6.199 5.447 -9.409 1.00 0.00 N ATOM 0 H LYS A 70 -0.280 4.824 -6.167 1.00 0.00 H new ATOM 0 HA LYS A 70 -2.580 4.465 -4.379 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -3.199 5.779 -6.519 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.815 4.318 -7.407 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -4.592 3.091 -6.364 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -4.830 4.323 -5.141 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -6.585 4.447 -6.861 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -5.626 5.913 -6.842 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -4.252 4.965 -8.743 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -5.356 3.605 -8.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -5.954 5.294 -10.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -7.179 5.140 -9.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -6.109 6.458 -9.181 1.00 0.00 H new ATOM 955 N LEU A 71 -2.538 2.015 -4.752 1.00 0.00 N ATOM 956 CA LEU A 71 -2.367 0.573 -4.759 1.00 0.00 C ATOM 957 C LEU A 71 -3.641 -0.076 -5.298 1.00 0.00 C ATOM 958 O LEU A 71 -4.733 0.178 -4.791 1.00 0.00 O ATOM 959 CB LEU A 71 -2.057 0.094 -3.331 1.00 0.00 C ATOM 960 CG LEU A 71 -1.888 -1.417 -3.129 1.00 0.00 C ATOM 961 CD1 LEU A 71 -0.989 -1.681 -1.933 1.00 0.00 C ATOM 962 CD2 LEU A 71 -3.239 -2.091 -2.914 1.00 0.00 C ATOM 0 H LEU A 71 -3.267 2.339 -4.116 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.535 0.288 -5.403 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -1.142 0.585 -2.999 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -2.858 0.437 -2.676 1.00 0.00 H new ATOM 0 HG LEU A 71 -1.432 -1.834 -4.027 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -0.873 -2.756 -1.795 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -0.012 -1.230 -2.106 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.436 -1.247 -1.039 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -3.093 -3.162 -2.773 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -3.719 -1.671 -2.030 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.872 -1.923 -3.785 1.00 0.00 H new ATOM 973 N THR A 72 -3.508 -0.878 -6.336 1.00 0.00 N ATOM 974 CA THR A 72 -4.650 -1.549 -6.925 1.00 0.00 C ATOM 975 C THR A 72 -4.535 -3.062 -6.776 1.00 0.00 C ATOM 976 O THR A 72 -3.480 -3.655 -7.027 1.00 0.00 O ATOM 977 CB THR A 72 -4.830 -1.172 -8.412 1.00 0.00 C ATOM 978 OG1 THR A 72 -3.556 -0.971 -9.039 1.00 0.00 O ATOM 979 CG2 THR A 72 -5.668 0.087 -8.551 1.00 0.00 C ATOM 0 H THR A 72 -2.618 -1.081 -6.790 1.00 0.00 H new ATOM 0 HA THR A 72 -5.533 -1.211 -6.383 1.00 0.00 H new ATOM 0 HB THR A 72 -5.345 -1.996 -8.905 1.00 0.00 H new ATOM 0 HG1 THR A 72 -3.687 -0.581 -9.928 1.00 0.00 H new ATOM 0 HG21 THR A 72 -5.782 0.334 -9.607 1.00 0.00 H new ATOM 0 HG22 THR A 72 -6.651 -0.079 -8.109 1.00 0.00 H new ATOM 0 HG23 THR A 72 -5.174 0.911 -8.037 1.00 0.00 H new ATOM 987 N CYS A 73 -5.625 -3.672 -6.350 1.00 0.00 N ATOM 988 CA CYS A 73 -5.683 -5.105 -6.150 1.00 0.00 C ATOM 989 C CYS A 73 -7.128 -5.555 -6.243 1.00 0.00 C ATOM 990 O CYS A 73 -8.034 -4.730 -6.335 1.00 0.00 O ATOM 991 CB CYS A 73 -5.100 -5.478 -4.783 1.00 0.00 C ATOM 992 SG CYS A 73 -5.934 -4.695 -3.381 1.00 0.00 S ATOM 0 H CYS A 73 -6.495 -3.186 -6.133 1.00 0.00 H new ATOM 0 HA CYS A 73 -5.092 -5.604 -6.919 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -5.150 -6.560 -4.663 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -4.045 -5.203 -4.763 1.00 0.00 H new ATOM 0 HG CYS A 73 -5.370 -5.075 -2.273 1.00 0.00 H new ATOM 997 N ARG A 74 -7.352 -6.852 -6.240 1.00 0.00 N ATOM 998 CA ARG A 74 -8.704 -7.370 -6.310 1.00 0.00 C ATOM 999 C ARG A 74 -9.135 -7.865 -4.939 1.00 0.00 C ATOM 1000 O ARG A 74 -8.763 -8.964 -4.516 1.00 0.00 O ATOM 1001 CB ARG A 74 -8.786 -8.469 -7.373 1.00 0.00 C ATOM 1002 CG ARG A 74 -10.186 -9.026 -7.619 1.00 0.00 C ATOM 1003 CD ARG A 74 -10.448 -10.307 -6.838 1.00 0.00 C ATOM 1004 NE ARG A 74 -11.689 -10.953 -7.265 1.00 0.00 N ATOM 1005 CZ ARG A 74 -12.034 -12.203 -6.961 1.00 0.00 C ATOM 1006 NH1 ARG A 74 -11.240 -12.961 -6.212 1.00 0.00 N ATOM 1007 NH2 ARG A 74 -13.175 -12.703 -7.416 1.00 0.00 N ATOM 0 H ARG A 74 -6.622 -7.563 -6.190 1.00 0.00 H new ATOM 0 HA ARG A 74 -9.392 -6.578 -6.606 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -8.398 -8.075 -8.312 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -8.132 -9.289 -7.077 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -10.926 -8.276 -7.340 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -10.315 -9.220 -8.684 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -9.613 -10.995 -6.975 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -10.503 -10.080 -5.773 1.00 0.00 H new ATOM 0 HE ARG A 74 -12.335 -10.408 -7.836 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -10.357 -12.587 -5.864 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -11.513 -13.917 -5.985 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -13.787 -12.130 -7.998 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -13.441 -13.660 -7.184 1.00 0.00 H new ATOM 1018 N PRO A 75 -9.890 -7.028 -4.212 1.00 0.00 N ATOM 1019 CA PRO A 75 -10.398 -7.367 -2.888 1.00 0.00 C ATOM 1020 C PRO A 75 -11.455 -8.446 -2.982 1.00 0.00 C ATOM 1021 O PRO A 75 -12.436 -8.298 -3.712 1.00 0.00 O ATOM 1022 CB PRO A 75 -11.012 -6.058 -2.387 1.00 0.00 C ATOM 1023 CG PRO A 75 -11.365 -5.319 -3.623 1.00 0.00 C ATOM 1024 CD PRO A 75 -10.311 -5.682 -4.629 1.00 0.00 C ATOM 0 HA PRO A 75 -9.624 -7.754 -2.225 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -11.891 -6.242 -1.770 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -10.306 -5.496 -1.776 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -12.357 -5.599 -3.977 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -11.382 -4.244 -3.445 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -10.708 -5.682 -5.644 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -9.479 -4.978 -4.612 1.00 0.00 H new ATOM 1029 N LYS A 76 -11.236 -9.533 -2.274 1.00 0.00 N ATOM 1030 CA LYS A 76 -12.156 -10.648 -2.289 1.00 0.00 C ATOM 1031 C LYS A 76 -12.688 -10.953 -0.900 1.00 0.00 C ATOM 1032 O LYS A 76 -12.010 -10.719 0.098 1.00 0.00 O ATOM 1033 CB LYS A 76 -11.457 -11.869 -2.887 1.00 0.00 C ATOM 1034 CG LYS A 76 -10.051 -12.109 -2.341 1.00 0.00 C ATOM 1035 CD LYS A 76 -10.052 -12.919 -1.053 1.00 0.00 C ATOM 1036 CE LYS A 76 -10.161 -14.406 -1.332 1.00 0.00 C ATOM 1037 NZ LYS A 76 -9.013 -14.905 -2.136 1.00 0.00 N ATOM 0 H LYS A 76 -10.421 -9.668 -1.676 1.00 0.00 H new ATOM 0 HA LYS A 76 -13.015 -10.384 -2.906 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -12.066 -12.753 -2.696 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -11.400 -11.749 -3.969 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -9.458 -12.630 -3.093 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -9.567 -11.149 -2.162 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -9.137 -12.718 -0.495 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -10.885 -12.604 -0.424 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -10.207 -14.950 -0.389 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -11.091 -14.609 -1.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -8.870 -15.917 -1.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -9.212 -14.768 -3.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -8.154 -14.379 -1.878 1.00 0.00 H new ATOM 1047 N THR A 77 -13.914 -11.458 -0.834 1.00 0.00 N ATOM 1048 CA THR A 77 -14.495 -11.824 0.440 1.00 0.00 C ATOM 1049 C THR A 77 -13.935 -13.174 0.842 1.00 0.00 C ATOM 1050 O THR A 77 -13.858 -14.089 0.011 1.00 0.00 O ATOM 1051 CB THR A 77 -16.042 -11.892 0.398 1.00 0.00 C ATOM 1052 OG1 THR A 77 -16.559 -12.114 1.712 1.00 0.00 O ATOM 1053 CG2 THR A 77 -16.527 -13.005 -0.515 1.00 0.00 C ATOM 0 H THR A 77 -14.515 -11.620 -1.642 1.00 0.00 H new ATOM 0 HA THR A 77 -14.237 -11.053 1.166 1.00 0.00 H new ATOM 0 HB THR A 77 -16.401 -10.939 0.008 1.00 0.00 H new ATOM 0 HG1 THR A 77 -17.538 -12.154 1.676 1.00 0.00 H new ATOM 0 HG21 THR A 77 -17.617 -13.023 -0.520 1.00 0.00 H new ATOM 0 HG22 THR A 77 -16.163 -12.830 -1.527 1.00 0.00 H new ATOM 0 HG23 THR A 77 -16.150 -13.962 -0.154 1.00 0.00 H new ATOM 1061 N VAL A 78 -13.532 -13.287 2.101 1.00 0.00 N ATOM 1062 CA VAL A 78 -12.957 -14.518 2.626 1.00 0.00 C ATOM 1063 C VAL A 78 -14.017 -15.596 2.800 1.00 0.00 C ATOM 1064 O VAL A 78 -13.701 -16.748 3.102 1.00 0.00 O ATOM 1065 CB VAL A 78 -12.245 -14.276 3.972 1.00 0.00 C ATOM 1066 CG1 VAL A 78 -11.075 -13.324 3.791 1.00 0.00 C ATOM 1067 CG2 VAL A 78 -13.216 -13.733 5.011 1.00 0.00 C ATOM 0 H VAL A 78 -13.594 -12.532 2.784 1.00 0.00 H new ATOM 0 HA VAL A 78 -12.224 -14.860 1.896 1.00 0.00 H new ATOM 0 HB VAL A 78 -11.864 -15.232 4.330 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -10.584 -13.164 4.751 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -10.363 -13.753 3.086 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -11.438 -12.371 3.406 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -12.689 -13.571 5.951 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -13.633 -12.789 4.661 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -14.022 -14.450 5.166 1.00 0.00 H new ATOM 1077 N ASP A 79 -15.275 -15.212 2.614 1.00 0.00 N ATOM 1078 CA ASP A 79 -16.390 -16.141 2.736 1.00 0.00 C ATOM 1079 C ASP A 79 -16.342 -17.183 1.624 1.00 0.00 C ATOM 1080 O ASP A 79 -16.702 -18.343 1.824 1.00 0.00 O ATOM 1081 CB ASP A 79 -17.716 -15.380 2.688 1.00 0.00 C ATOM 1082 CG ASP A 79 -18.917 -16.298 2.754 1.00 0.00 C ATOM 1083 OD1 ASP A 79 -19.251 -16.763 3.861 1.00 0.00 O ATOM 1084 OD2 ASP A 79 -19.535 -16.557 1.703 1.00 0.00 O ATOM 0 H ASP A 79 -15.548 -14.258 2.377 1.00 0.00 H new ATOM 0 HA ASP A 79 -16.311 -16.654 3.694 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -17.756 -14.675 3.518 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -17.761 -14.794 1.770 1.00 0.00 H new ATOM 1088 N GLY A 80 -15.869 -16.766 0.458 1.00 0.00 N ATOM 1089 CA GLY A 80 -15.780 -17.678 -0.665 1.00 0.00 C ATOM 1090 C GLY A 80 -14.641 -17.347 -1.615 1.00 0.00 C ATOM 1091 O GLY A 80 -14.201 -18.201 -2.381 1.00 0.00 O ATOM 0 H GLY A 80 -15.547 -15.817 0.270 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -15.649 -18.693 -0.291 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -16.721 -17.660 -1.215 1.00 0.00 H new ATOM 1095 N GLY A 81 -14.161 -16.111 -1.569 1.00 0.00 N ATOM 1096 CA GLY A 81 -13.078 -15.707 -2.445 1.00 0.00 C ATOM 1097 C GLY A 81 -13.589 -14.978 -3.664 1.00 0.00 C ATOM 1098 O GLY A 81 -12.886 -14.839 -4.664 1.00 0.00 O ATOM 0 H GLY A 81 -14.501 -15.382 -0.942 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -12.389 -15.064 -1.898 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -12.514 -16.586 -2.756 1.00 0.00 H new ATOM 1102 N PHE A 82 -14.820 -14.504 -3.570 1.00 0.00 N ATOM 1103 CA PHE A 82 -15.457 -13.800 -4.678 1.00 0.00 C ATOM 1104 C PHE A 82 -15.636 -12.339 -4.325 1.00 0.00 C ATOM 1105 O PHE A 82 -15.726 -12.022 -3.144 1.00 0.00 O ATOM 1106 CB PHE A 82 -16.806 -14.445 -5.022 1.00 0.00 C ATOM 1107 CG PHE A 82 -17.720 -14.633 -3.842 1.00 0.00 C ATOM 1108 CD1 PHE A 82 -17.662 -15.794 -3.090 1.00 0.00 C ATOM 1109 CD2 PHE A 82 -18.630 -13.651 -3.485 1.00 0.00 C ATOM 1110 CE1 PHE A 82 -18.491 -15.974 -2.003 1.00 0.00 C ATOM 1111 CE2 PHE A 82 -19.464 -13.826 -2.396 1.00 0.00 C ATOM 1112 CZ PHE A 82 -19.392 -14.990 -1.654 1.00 0.00 C ATOM 0 H PHE A 82 -15.402 -14.593 -2.737 1.00 0.00 H new ATOM 0 HA PHE A 82 -14.816 -13.871 -5.556 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -17.312 -13.828 -5.764 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -16.624 -15.415 -5.485 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -16.959 -16.568 -3.358 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -18.688 -12.740 -4.063 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -18.435 -16.885 -1.425 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -20.170 -13.055 -2.126 1.00 0.00 H new ATOM 0 HZ PHE A 82 -20.041 -15.129 -0.802 1.00 0.00 H new ATOM 1121 N ARG A 83 -15.674 -11.460 -5.335 1.00 0.00 N ATOM 1122 CA ARG A 83 -15.854 -10.021 -5.113 1.00 0.00 C ATOM 1123 C ARG A 83 -15.564 -9.218 -6.384 1.00 0.00 C ATOM 1124 O ARG A 83 -15.741 -9.713 -7.499 1.00 0.00 O ATOM 1125 CB ARG A 83 -14.933 -9.540 -4.004 1.00 0.00 C ATOM 1126 CG ARG A 83 -15.598 -8.647 -2.972 1.00 0.00 C ATOM 1127 CD ARG A 83 -16.535 -9.432 -2.067 1.00 0.00 C ATOM 1128 NE ARG A 83 -17.867 -9.584 -2.650 1.00 0.00 N ATOM 1129 CZ ARG A 83 -18.995 -9.162 -2.071 1.00 0.00 C ATOM 1130 NH1 ARG A 83 -18.967 -8.546 -0.893 1.00 0.00 N ATOM 1131 NH2 ARG A 83 -20.156 -9.345 -2.682 1.00 0.00 N ATOM 0 H ARG A 83 -15.582 -11.722 -6.316 1.00 0.00 H new ATOM 0 HA ARG A 83 -16.894 -9.863 -4.828 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -14.513 -10.408 -3.497 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -14.100 -8.998 -4.451 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -14.834 -8.158 -2.368 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -16.156 -7.860 -3.478 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -16.110 -10.417 -1.874 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -16.617 -8.926 -1.105 1.00 0.00 H new ATOM 0 HE ARG A 83 -17.940 -10.042 -3.558 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -18.077 -8.390 -0.420 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -19.836 -8.229 -0.462 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -20.187 -9.807 -3.591 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -21.019 -9.024 -2.243 1.00 0.00 H new ATOM 1142 N GLU A 84 -15.100 -7.982 -6.194 1.00 0.00 N ATOM 1143 CA GLU A 84 -14.802 -7.068 -7.294 1.00 0.00 C ATOM 1144 C GLU A 84 -13.390 -6.516 -7.167 1.00 0.00 C ATOM 1145 O GLU A 84 -12.847 -6.458 -6.069 1.00 0.00 O ATOM 1146 CB GLU A 84 -15.783 -5.896 -7.252 1.00 0.00 C ATOM 1147 CG GLU A 84 -17.217 -6.278 -7.552 1.00 0.00 C ATOM 1148 CD GLU A 84 -17.501 -6.327 -9.037 1.00 0.00 C ATOM 1149 OE1 GLU A 84 -17.094 -7.302 -9.702 1.00 0.00 O ATOM 1150 OE2 GLU A 84 -18.142 -5.386 -9.549 1.00 0.00 O ATOM 0 H GLU A 84 -14.920 -7.587 -5.271 1.00 0.00 H new ATOM 0 HA GLU A 84 -14.892 -7.615 -8.232 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -15.740 -5.436 -6.265 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -15.462 -5.141 -7.970 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -17.431 -7.252 -7.111 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -17.888 -5.560 -7.080 1.00 0.00 H new ATOM 1155 N ARG A 85 -12.798 -6.111 -8.286 1.00 0.00 N ATOM 1156 CA ARG A 85 -11.459 -5.534 -8.260 1.00 0.00 C ATOM 1157 C ARG A 85 -11.569 -4.052 -7.937 1.00 0.00 C ATOM 1158 O ARG A 85 -12.531 -3.397 -8.343 1.00 0.00 O ATOM 1159 CB ARG A 85 -10.731 -5.723 -9.593 1.00 0.00 C ATOM 1160 CG ARG A 85 -9.260 -5.331 -9.544 1.00 0.00 C ATOM 1161 CD ARG A 85 -8.594 -5.468 -10.901 1.00 0.00 C ATOM 1162 NE ARG A 85 -7.189 -5.066 -10.864 1.00 0.00 N ATOM 1163 CZ ARG A 85 -6.621 -4.256 -11.755 1.00 0.00 C ATOM 1164 NH1 ARG A 85 -7.340 -3.740 -12.745 1.00 0.00 N ATOM 1165 NH2 ARG A 85 -5.331 -3.958 -11.649 1.00 0.00 N ATOM 0 H ARG A 85 -13.219 -6.171 -9.213 1.00 0.00 H new ATOM 0 HA ARG A 85 -10.877 -6.049 -7.495 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -10.811 -6.767 -9.896 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -11.231 -5.130 -10.358 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -9.170 -4.302 -9.197 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -8.741 -5.958 -8.819 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -8.667 -6.502 -11.238 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -9.127 -4.857 -11.630 1.00 0.00 H new ATOM 0 HE ARG A 85 -6.608 -5.429 -10.108 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -8.332 -3.964 -12.825 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -6.900 -3.120 -13.425 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -4.778 -4.349 -10.886 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -4.893 -3.338 -12.330 1.00 0.00 H new ATOM 1176 N GLN A 86 -10.582 -3.523 -7.233 1.00 0.00 N ATOM 1177 CA GLN A 86 -10.602 -2.117 -6.819 1.00 0.00 C ATOM 1178 C GLN A 86 -9.198 -1.544 -6.668 1.00 0.00 C ATOM 1179 O GLN A 86 -8.208 -2.154 -7.062 1.00 0.00 O ATOM 1180 CB GLN A 86 -11.341 -1.981 -5.481 1.00 0.00 C ATOM 1181 CG GLN A 86 -12.854 -1.965 -5.596 1.00 0.00 C ATOM 1182 CD GLN A 86 -13.533 -2.085 -4.249 1.00 0.00 C ATOM 1183 OE1 GLN A 86 -13.835 -3.309 -3.851 1.00 0.00 O flip ATOM 1184 NE2 GLN A 86 -13.783 -1.091 -3.570 1.00 0.00 N flip ATOM 0 H GLN A 86 -9.755 -4.039 -6.933 1.00 0.00 H new ATOM 0 HA GLN A 86 -11.116 -1.556 -7.600 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -11.047 -2.807 -4.833 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -11.017 -1.062 -4.993 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -13.170 -1.040 -6.079 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -13.176 -2.785 -6.237 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -13.534 -0.163 -3.913 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -14.240 -1.194 -2.664 1.00 0.00 H new ATOM 1191 N GLY A 87 -9.141 -0.348 -6.103 1.00 0.00 N ATOM 1192 CA GLY A 87 -7.890 0.327 -5.858 1.00 0.00 C ATOM 1193 C GLY A 87 -8.040 1.307 -4.721 1.00 0.00 C ATOM 1194 O GLY A 87 -9.087 1.944 -4.590 1.00 0.00 O ATOM 0 H GLY A 87 -9.963 0.176 -5.804 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -7.116 -0.402 -5.619 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -7.568 0.850 -6.759 1.00 0.00 H new ATOM 1198 N ILE A 88 -7.013 1.434 -3.899 1.00 0.00 N ATOM 1199 CA ILE A 88 -7.059 2.333 -2.759 1.00 0.00 C ATOM 1200 C ILE A 88 -5.921 3.348 -2.825 1.00 0.00 C ATOM 1201 O ILE A 88 -4.775 3.007 -3.137 1.00 0.00 O ATOM 1202 CB ILE A 88 -7.012 1.547 -1.425 1.00 0.00 C ATOM 1203 CG1 ILE A 88 -7.023 2.504 -0.231 1.00 0.00 C ATOM 1204 CG2 ILE A 88 -5.792 0.633 -1.371 1.00 0.00 C ATOM 1205 CD1 ILE A 88 -7.107 1.800 1.105 1.00 0.00 C ATOM 0 H ILE A 88 -6.135 0.925 -4.000 1.00 0.00 H new ATOM 0 HA ILE A 88 -8.005 2.873 -2.798 1.00 0.00 H new ATOM 0 HB ILE A 88 -7.904 0.923 -1.372 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -6.120 3.113 -0.256 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -7.869 3.184 -0.328 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -5.783 0.093 -0.424 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -5.835 -0.080 -2.195 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -4.885 1.232 -1.456 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -7.110 2.539 1.906 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -8.024 1.212 1.150 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -6.247 1.141 1.223 1.00 0.00 H new ATOM 1216 N ASP A 89 -6.259 4.603 -2.566 1.00 0.00 N ATOM 1217 CA ASP A 89 -5.287 5.687 -2.587 1.00 0.00 C ATOM 1218 C ASP A 89 -4.394 5.631 -1.354 1.00 0.00 C ATOM 1219 O ASP A 89 -4.884 5.535 -0.226 1.00 0.00 O ATOM 1220 CB ASP A 89 -5.996 7.046 -2.635 1.00 0.00 C ATOM 1221 CG ASP A 89 -6.786 7.265 -3.911 1.00 0.00 C ATOM 1222 OD1 ASP A 89 -7.964 6.848 -3.970 1.00 0.00 O ATOM 1223 OD2 ASP A 89 -6.238 7.879 -4.852 1.00 0.00 O ATOM 0 H ASP A 89 -7.208 4.898 -2.337 1.00 0.00 H new ATOM 0 HA ASP A 89 -4.674 5.569 -3.481 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -6.668 7.128 -1.781 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -5.255 7.839 -2.534 1.00 0.00 H new ATOM 1227 N LEU A 90 -3.086 5.712 -1.563 1.00 0.00 N ATOM 1228 CA LEU A 90 -2.135 5.664 -0.462 1.00 0.00 C ATOM 1229 C LEU A 90 -1.626 7.052 -0.128 1.00 0.00 C ATOM 1230 O LEU A 90 -0.430 7.275 0.054 1.00 0.00 O ATOM 1231 CB LEU A 90 -0.965 4.765 -0.803 1.00 0.00 C ATOM 1232 CG LEU A 90 -1.339 3.360 -1.245 1.00 0.00 C ATOM 1233 CD1 LEU A 90 -0.081 2.585 -1.542 1.00 0.00 C ATOM 1234 CD2 LEU A 90 -2.171 2.663 -0.178 1.00 0.00 C ATOM 0 H LEU A 90 -2.661 5.811 -2.485 1.00 0.00 H new ATOM 0 HA LEU A 90 -2.654 5.259 0.406 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -0.384 5.236 -1.596 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -0.315 4.694 0.069 1.00 0.00 H new ATOM 0 HG LEU A 90 -1.946 3.414 -2.149 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -0.342 1.576 -1.860 1.00 0.00 H new ATOM 0 HD12 LEU A 90 0.474 3.083 -2.337 1.00 0.00 H new ATOM 0 HD13 LEU A 90 0.536 2.535 -0.645 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -2.428 1.659 -0.515 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -1.598 2.600 0.747 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -3.084 3.231 -0.000 1.00 0.00 H new ATOM 1245 N ASN A 91 -2.552 7.976 -0.036 1.00 0.00 N ATOM 1246 CA ASN A 91 -2.233 9.360 0.285 1.00 0.00 C ATOM 1247 C ASN A 91 -2.055 9.527 1.791 1.00 0.00 C ATOM 1248 O ASN A 91 -1.897 10.637 2.297 1.00 0.00 O ATOM 1249 CB ASN A 91 -3.314 10.305 -0.248 1.00 0.00 C ATOM 1250 CG ASN A 91 -3.080 10.693 -1.699 1.00 0.00 C ATOM 1251 OD1 ASN A 91 -3.549 9.867 -2.622 1.00 0.00 O flip ATOM 1252 ND2 ASN A 91 -2.475 11.725 -1.988 1.00 0.00 N flip ATOM 0 H ASN A 91 -3.546 7.798 -0.180 1.00 0.00 H new ATOM 0 HA ASN A 91 -1.293 9.620 -0.202 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -4.289 9.827 -0.155 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -3.341 11.205 0.366 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -2.128 12.337 -1.249 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -2.320 11.968 -2.966 1.00 0.00 H new ATOM 1258 N ARG A 92 -2.122 8.403 2.503 1.00 0.00 N ATOM 1259 CA ARG A 92 -1.947 8.386 3.949 1.00 0.00 C ATOM 1260 C ARG A 92 -0.539 7.932 4.316 1.00 0.00 C ATOM 1261 O ARG A 92 -0.156 7.955 5.480 1.00 0.00 O ATOM 1262 CB ARG A 92 -2.952 7.439 4.613 1.00 0.00 C ATOM 1263 CG ARG A 92 -4.393 7.901 4.547 1.00 0.00 C ATOM 1264 CD ARG A 92 -5.223 7.218 5.620 1.00 0.00 C ATOM 1265 NE ARG A 92 -4.855 7.672 6.961 1.00 0.00 N ATOM 1266 CZ ARG A 92 -5.683 7.687 8.003 1.00 0.00 C ATOM 1267 NH1 ARG A 92 -6.955 7.336 7.866 1.00 0.00 N ATOM 1268 NH2 ARG A 92 -5.238 8.076 9.188 1.00 0.00 N ATOM 0 H ARG A 92 -2.298 7.485 2.094 1.00 0.00 H new ATOM 0 HA ARG A 92 -2.113 9.402 4.307 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -2.876 6.460 4.140 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -2.673 7.310 5.659 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -4.440 8.982 4.676 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -4.807 7.679 3.563 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -6.280 7.419 5.445 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -5.088 6.138 5.552 1.00 0.00 H new ATOM 0 HE ARG A 92 -3.900 7.999 7.107 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -7.310 7.050 6.953 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -7.578 7.352 8.673 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -4.265 8.362 9.299 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -5.868 8.090 9.990 1.00 0.00 H new ATOM 1279 N ILE A 93 0.229 7.507 3.326 1.00 0.00 N ATOM 1280 CA ILE A 93 1.583 7.029 3.575 1.00 0.00 C ATOM 1281 C ILE A 93 2.595 8.062 3.102 1.00 0.00 C ATOM 1282 O ILE A 93 2.784 8.256 1.901 1.00 0.00 O ATOM 1283 CB ILE A 93 1.837 5.670 2.881 1.00 0.00 C ATOM 1284 CG1 ILE A 93 0.672 4.714 3.148 1.00 0.00 C ATOM 1285 CG2 ILE A 93 3.141 5.047 3.370 1.00 0.00 C ATOM 1286 CD1 ILE A 93 0.408 4.480 4.621 1.00 0.00 C ATOM 0 H ILE A 93 -0.058 7.482 2.347 1.00 0.00 H new ATOM 0 HA ILE A 93 1.698 6.881 4.649 1.00 0.00 H new ATOM 0 HB ILE A 93 1.917 5.846 1.808 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -0.230 5.114 2.685 1.00 0.00 H new ATOM 0 HG13 ILE A 93 0.880 3.758 2.668 1.00 0.00 H new ATOM 0 HG21 ILE A 93 3.299 4.092 2.868 1.00 0.00 H new ATOM 0 HG22 ILE A 93 3.971 5.717 3.145 1.00 0.00 H new ATOM 0 HG23 ILE A 93 3.086 4.886 4.447 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -0.430 3.793 4.736 1.00 0.00 H new ATOM 0 HD12 ILE A 93 1.295 4.050 5.086 1.00 0.00 H new ATOM 0 HD13 ILE A 93 0.169 5.428 5.103 1.00 0.00 H new ATOM 1297 N GLN A 94 3.239 8.721 4.054 1.00 0.00 N ATOM 1298 CA GLN A 94 4.212 9.758 3.748 1.00 0.00 C ATOM 1299 C GLN A 94 5.545 9.470 4.435 1.00 0.00 C ATOM 1300 O GLN A 94 5.587 8.916 5.533 1.00 0.00 O ATOM 1301 CB GLN A 94 3.673 11.117 4.216 1.00 0.00 C ATOM 1302 CG GLN A 94 4.549 12.311 3.851 1.00 0.00 C ATOM 1303 CD GLN A 94 4.404 12.736 2.402 1.00 0.00 C ATOM 1304 OE1 GLN A 94 3.545 13.552 2.067 1.00 0.00 O ATOM 1305 NE2 GLN A 94 5.259 12.218 1.536 1.00 0.00 N ATOM 0 H GLN A 94 3.104 8.554 5.051 1.00 0.00 H new ATOM 0 HA GLN A 94 4.376 9.776 2.671 1.00 0.00 H new ATOM 0 HB2 GLN A 94 2.682 11.266 3.787 1.00 0.00 H new ATOM 0 HB3 GLN A 94 3.551 11.091 5.299 1.00 0.00 H new ATOM 0 HG2 GLN A 94 4.295 13.151 4.497 1.00 0.00 H new ATOM 0 HG3 GLN A 94 5.592 12.062 4.048 1.00 0.00 H new ATOM 0 HE21 GLN A 94 5.958 11.544 1.850 1.00 0.00 H new ATOM 0 HE22 GLN A 94 5.220 12.492 0.554 1.00 0.00 H new ATOM 1312 N ASN A 95 6.630 9.835 3.777 1.00 0.00 N ATOM 1313 CA ASN A 95 7.962 9.651 4.327 1.00 0.00 C ATOM 1314 C ASN A 95 8.422 10.931 5.023 1.00 0.00 C ATOM 1315 O ASN A 95 8.593 11.976 4.394 1.00 0.00 O ATOM 1316 CB ASN A 95 8.963 9.250 3.231 1.00 0.00 C ATOM 1317 CG ASN A 95 8.987 10.209 2.050 1.00 0.00 C ATOM 1318 OD1 ASN A 95 7.965 10.787 1.672 1.00 0.00 O ATOM 1319 ND2 ASN A 95 10.158 10.387 1.459 1.00 0.00 N ATOM 0 H ASN A 95 6.614 10.265 2.852 1.00 0.00 H new ATOM 0 HA ASN A 95 7.922 8.843 5.057 1.00 0.00 H new ATOM 0 HB2 ASN A 95 9.962 9.195 3.665 1.00 0.00 H new ATOM 0 HB3 ASN A 95 8.716 8.251 2.872 1.00 0.00 H new ATOM 0 HD21 ASN A 95 10.236 11.020 0.663 1.00 0.00 H new ATOM 0 HD22 ASN A 95 10.982 9.891 1.800 1.00 0.00 H new ATOM 1325 N VAL A 96 8.607 10.843 6.328 1.00 0.00 N ATOM 1326 CA VAL A 96 9.036 11.980 7.126 1.00 0.00 C ATOM 1327 C VAL A 96 10.522 11.869 7.440 1.00 0.00 C ATOM 1328 O VAL A 96 10.942 10.958 8.152 1.00 0.00 O ATOM 1329 CB VAL A 96 8.240 12.076 8.446 1.00 0.00 C ATOM 1330 CG1 VAL A 96 8.659 13.301 9.246 1.00 0.00 C ATOM 1331 CG2 VAL A 96 6.744 12.102 8.166 1.00 0.00 C ATOM 0 H VAL A 96 8.465 9.986 6.863 1.00 0.00 H new ATOM 0 HA VAL A 96 8.848 12.882 6.544 1.00 0.00 H new ATOM 0 HB VAL A 96 8.464 11.192 9.043 1.00 0.00 H new ATOM 0 HG11 VAL A 96 8.084 13.346 10.171 1.00 0.00 H new ATOM 0 HG12 VAL A 96 9.721 13.236 9.482 1.00 0.00 H new ATOM 0 HG13 VAL A 96 8.472 14.200 8.659 1.00 0.00 H new ATOM 0 HG21 VAL A 96 6.199 12.170 9.107 1.00 0.00 H new ATOM 0 HG22 VAL A 96 6.505 12.965 7.545 1.00 0.00 H new ATOM 0 HG23 VAL A 96 6.456 11.189 7.645 1.00 0.00 H new ATOM 1341 N ASN A 97 11.312 12.781 6.877 1.00 0.00 N ATOM 1342 CA ASN A 97 12.763 12.802 7.084 1.00 0.00 C ATOM 1343 C ASN A 97 13.398 11.484 6.653 1.00 0.00 C ATOM 1344 O ASN A 97 14.371 11.027 7.247 1.00 0.00 O ATOM 1345 CB ASN A 97 13.105 13.105 8.553 1.00 0.00 C ATOM 1346 CG ASN A 97 13.139 14.591 8.861 1.00 0.00 C ATOM 1347 OD1 ASN A 97 14.194 15.221 8.826 1.00 0.00 O ATOM 1348 ND2 ASN A 97 11.987 15.160 9.163 1.00 0.00 N ATOM 0 H ASN A 97 10.969 13.523 6.267 1.00 0.00 H new ATOM 0 HA ASN A 97 13.173 13.599 6.463 1.00 0.00 H new ATOM 0 HB2 ASN A 97 12.370 12.623 9.198 1.00 0.00 H new ATOM 0 HB3 ASN A 97 14.075 12.668 8.792 1.00 0.00 H new ATOM 0 HD21 ASN A 97 11.951 16.156 9.378 1.00 0.00 H new ATOM 0 HD22 ASN A 97 11.133 14.603 9.182 1.00 0.00 H new ATOM 1354 N GLY A 98 12.831 10.871 5.623 1.00 0.00 N ATOM 1355 CA GLY A 98 13.358 9.616 5.124 1.00 0.00 C ATOM 1356 C GLY A 98 12.661 8.409 5.716 1.00 0.00 C ATOM 1357 O GLY A 98 12.647 7.340 5.109 1.00 0.00 O ATOM 0 H GLY A 98 12.014 11.221 5.123 1.00 0.00 H new ATOM 0 HA2 GLY A 98 13.258 9.591 4.039 1.00 0.00 H new ATOM 0 HA3 GLY A 98 14.423 9.560 5.347 1.00 0.00 H new ATOM 1361 N ARG A 99 12.067 8.574 6.889 1.00 0.00 N ATOM 1362 CA ARG A 99 11.380 7.469 7.544 1.00 0.00 C ATOM 1363 C ARG A 99 9.940 7.392 7.062 1.00 0.00 C ATOM 1364 O ARG A 99 9.201 8.371 7.132 1.00 0.00 O ATOM 1365 CB ARG A 99 11.405 7.614 9.071 1.00 0.00 C ATOM 1366 CG ARG A 99 12.802 7.725 9.664 1.00 0.00 C ATOM 1367 CD ARG A 99 13.264 9.172 9.742 1.00 0.00 C ATOM 1368 NE ARG A 99 12.399 9.971 10.611 1.00 0.00 N ATOM 1369 CZ ARG A 99 12.831 10.944 11.407 1.00 0.00 C ATOM 1370 NH1 ARG A 99 14.120 11.256 11.455 1.00 0.00 N ATOM 1371 NH2 ARG A 99 11.963 11.606 12.160 1.00 0.00 N ATOM 0 H ARG A 99 12.046 9.454 7.404 1.00 0.00 H new ATOM 0 HA ARG A 99 11.906 6.551 7.282 1.00 0.00 H new ATOM 0 HB2 ARG A 99 10.833 8.499 9.350 1.00 0.00 H new ATOM 0 HB3 ARG A 99 10.901 6.755 9.515 1.00 0.00 H new ATOM 0 HG2 ARG A 99 12.810 7.286 10.661 1.00 0.00 H new ATOM 0 HG3 ARG A 99 13.502 7.151 9.057 1.00 0.00 H new ATOM 0 HD2 ARG A 99 14.287 9.207 10.115 1.00 0.00 H new ATOM 0 HD3 ARG A 99 13.275 9.605 8.742 1.00 0.00 H new ATOM 0 HE ARG A 99 11.399 9.768 10.606 1.00 0.00 H new ATOM 0 HH11 ARG A 99 14.790 10.747 10.878 1.00 0.00 H new ATOM 0 HH12 ARG A 99 14.441 12.004 12.069 1.00 0.00 H new ATOM 0 HH21 ARG A 99 10.972 11.367 12.126 1.00 0.00 H new ATOM 0 HH22 ARG A 99 12.286 12.354 12.773 1.00 0.00 H new ATOM 1382 N LEU A 100 9.549 6.233 6.560 1.00 0.00 N ATOM 1383 CA LEU A 100 8.197 6.040 6.065 1.00 0.00 C ATOM 1384 C LEU A 100 7.243 5.881 7.243 1.00 0.00 C ATOM 1385 O LEU A 100 7.394 4.965 8.049 1.00 0.00 O ATOM 1386 CB LEU A 100 8.136 4.811 5.158 1.00 0.00 C ATOM 1387 CG LEU A 100 7.034 4.846 4.103 1.00 0.00 C ATOM 1388 CD1 LEU A 100 7.220 6.048 3.200 1.00 0.00 C ATOM 1389 CD2 LEU A 100 7.035 3.568 3.284 1.00 0.00 C ATOM 0 H LEU A 100 10.149 5.411 6.485 1.00 0.00 H new ATOM 0 HA LEU A 100 7.900 6.911 5.481 1.00 0.00 H new ATOM 0 HB2 LEU A 100 9.097 4.700 4.655 1.00 0.00 H new ATOM 0 HB3 LEU A 100 7.997 3.926 5.779 1.00 0.00 H new ATOM 0 HG LEU A 100 6.072 4.927 4.609 1.00 0.00 H new ATOM 0 HD11 LEU A 100 6.429 6.065 2.450 1.00 0.00 H new ATOM 0 HD12 LEU A 100 7.176 6.960 3.795 1.00 0.00 H new ATOM 0 HD13 LEU A 100 8.189 5.984 2.705 1.00 0.00 H new ATOM 0 HD21 LEU A 100 6.242 3.613 2.538 1.00 0.00 H new ATOM 0 HD22 LEU A 100 7.997 3.457 2.784 1.00 0.00 H new ATOM 0 HD23 LEU A 100 6.867 2.715 3.941 1.00 0.00 H new ATOM 1400 N VAL A 101 6.274 6.778 7.351 1.00 0.00 N ATOM 1401 CA VAL A 101 5.323 6.739 8.454 1.00 0.00 C ATOM 1402 C VAL A 101 3.887 6.823 7.946 1.00 0.00 C ATOM 1403 O VAL A 101 3.594 7.539 6.988 1.00 0.00 O ATOM 1404 CB VAL A 101 5.567 7.905 9.447 1.00 0.00 C ATOM 1405 CG1 VAL A 101 4.660 7.790 10.665 1.00 0.00 C ATOM 1406 CG2 VAL A 101 7.026 7.962 9.877 1.00 0.00 C ATOM 0 H VAL A 101 6.125 7.541 6.690 1.00 0.00 H new ATOM 0 HA VAL A 101 5.473 5.789 8.967 1.00 0.00 H new ATOM 0 HB VAL A 101 5.326 8.833 8.928 1.00 0.00 H new ATOM 0 HG11 VAL A 101 4.854 8.621 11.343 1.00 0.00 H new ATOM 0 HG12 VAL A 101 3.618 7.817 10.347 1.00 0.00 H new ATOM 0 HG13 VAL A 101 4.858 6.849 11.179 1.00 0.00 H new ATOM 0 HG21 VAL A 101 7.168 8.789 10.573 1.00 0.00 H new ATOM 0 HG22 VAL A 101 7.298 7.026 10.365 1.00 0.00 H new ATOM 0 HG23 VAL A 101 7.658 8.112 9.002 1.00 0.00 H new ATOM 1416 N PHE A 102 2.996 6.074 8.581 1.00 0.00 N ATOM 1417 CA PHE A 102 1.589 6.101 8.221 1.00 0.00 C ATOM 1418 C PHE A 102 0.914 7.268 8.921 1.00 0.00 C ATOM 1419 O PHE A 102 1.097 7.472 10.124 1.00 0.00 O ATOM 1420 CB PHE A 102 0.889 4.786 8.597 1.00 0.00 C ATOM 1421 CG PHE A 102 -0.589 4.946 8.835 1.00 0.00 C ATOM 1422 CD1 PHE A 102 -1.474 5.117 7.777 1.00 0.00 C ATOM 1423 CD2 PHE A 102 -1.091 4.952 10.127 1.00 0.00 C ATOM 1424 CE1 PHE A 102 -2.822 5.285 8.009 1.00 0.00 C ATOM 1425 CE2 PHE A 102 -2.439 5.126 10.362 1.00 0.00 C ATOM 1426 CZ PHE A 102 -3.304 5.291 9.303 1.00 0.00 C ATOM 0 H PHE A 102 3.224 5.441 9.348 1.00 0.00 H new ATOM 0 HA PHE A 102 1.511 6.221 7.140 1.00 0.00 H new ATOM 0 HB2 PHE A 102 1.045 4.058 7.800 1.00 0.00 H new ATOM 0 HB3 PHE A 102 1.353 4.379 9.496 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -1.102 5.118 6.763 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -0.418 4.819 10.961 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -3.501 5.412 7.179 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -2.815 5.133 11.374 1.00 0.00 H new ATOM 0 HZ PHE A 102 -4.360 5.425 9.485 1.00 0.00 H new ATOM 1435 N GLN A 103 0.149 8.028 8.170 1.00 0.00 N ATOM 1436 CA GLN A 103 -0.553 9.173 8.715 1.00 0.00 C ATOM 1437 C GLN A 103 -2.058 8.963 8.618 1.00 0.00 C ATOM 1438 O GLN A 103 -2.601 9.026 7.498 1.00 0.00 O ATOM 1439 CB GLN A 103 -0.139 10.446 7.979 1.00 0.00 C ATOM 1440 CG GLN A 103 -0.298 11.708 8.810 1.00 0.00 C ATOM 1441 CD GLN A 103 0.601 11.715 10.032 1.00 0.00 C ATOM 1442 OE1 GLN A 103 0.209 11.274 11.112 1.00 0.00 O ATOM 1443 NE2 GLN A 103 1.817 12.211 9.866 1.00 0.00 N ATOM 1444 OXT GLN A 103 -2.689 8.721 9.668 1.00 0.00 O ATOM 0 H GLN A 103 -0.005 7.874 7.173 1.00 0.00 H new ATOM 0 HA GLN A 103 -0.287 9.281 9.767 1.00 0.00 H new ATOM 0 HB2 GLN A 103 0.902 10.354 7.669 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -0.735 10.541 7.071 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -0.073 12.577 8.192 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -1.337 11.803 9.126 1.00 0.00 H new ATOM 0 HE21 GLN A 103 2.103 12.567 8.954 1.00 0.00 H new ATOM 0 HE22 GLN A 103 2.468 12.238 10.650 1.00 0.00 H new TER 1451 GLN A 103