USER MOD reduce.3.24.130724 H: found=0, std=0, add=936, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 931 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 122 ASN : amide:sc= 0.456 X(o=0.94,f=1.2) USER MOD Set 1.2: A 125 TYR OH : rot 180:sc= 0.482 USER MOD Set 2.1: A 22 TYR OH : rot -126:sc= 0.964 USER MOD Set 2.2: A 102 HIS : no HE2:sc= -0.186 K(o=1.7,f=0.88) USER MOD Set 2.3: A 105 SER OG : rot -79:sc= 0.893 USER MOD Set 3.1: A 53 HIS : no HE2:sc= -1.32 K(o=-0.79,f=-3.5!) USER MOD Set 3.2: A 94 SER OG : rot -174:sc= 0.529 USER MOD Set 4.1: A 89 HIS : no HD1:sc= 0.727 K(o=2,f=-5.6!) USER MOD Set 4.2: A 119 THR OG1 : rot 86:sc= 1.3 USER MOD Set 5.1: A 66 LYS NZ :NH3+ -164:sc= 2.28 (180deg=0.663) USER MOD Set 5.2: A 67 GLN : amide:sc= 0.979 K(o=3.3,f=-5.1!) USER MOD Set 6.1: A 28 HIS : no HD1:sc= 1.03 K(o=2.4,f=-5.8!) USER MOD Set 6.2: A 40 SER OG : rot -127:sc= 1.37 USER MOD Single : A 1 MET CE :methyl -175:sc= 0 (180deg=-0.0178) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ -177:sc= 2.26 (180deg=2.22) USER MOD Single : A 29 SER OG : rot 65:sc= 0.613 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 177:sc= 1.91 (180deg=1.9) USER MOD Single : A 47 TYR OH : rot 160:sc= 1.22 USER MOD Single : A 48 LYS NZ :NH3+ -149:sc= 0.903 (180deg=0.478) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot -3:sc= 0.185 USER MOD Single : A 59 LYS NZ :NH3+ -152:sc= 0.0799 (180deg=0) USER MOD Single : A 61 SER OG : rot 84:sc= 1.32 USER MOD Single : A 64 MET CE :methyl -108:sc= -0.292 (180deg=-1.49) USER MOD Single : A 65 GLN : amide:sc= 0.637 K(o=0.64,f=0) USER MOD Single : A 69 CYS SG : rot -83:sc= 0.183 USER MOD Single : A 71 CYS SG : rot 90:sc= -3 USER MOD Single : A 73 CYS SG : rot 153:sc= 1.95 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 HIS : no HE2:sc= 0.587 K(o=0.59,f=-2.5!) USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0.0227 USER MOD Single : A 84 GLN : amide:sc= 0.033 K(o=0.033,f=-3.3!) USER MOD Single : A 86 LYS NZ :NH3+ -155:sc= 2.34 (180deg=1.96) USER MOD Single : A 87 LYS NZ :NH3+ -167:sc= 1.24 (180deg=0.728) USER MOD Single : A 91 TYR OH : rot 180:sc= 0.569 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 97 TYR OH : rot 130:sc= 0 USER MOD Single : A 101 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 THR OG1 : rot 20:sc= 0.311 USER MOD Single : A 108 LYS NZ :NH3+ 138:sc= 1.65 (180deg=-0.527) USER MOD Single : A 110 LYS NZ :NH3+ 146:sc= 1.3 (180deg=0.431) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 TYR OH : rot -122:sc= 0.102 USER MOD Single : A 116 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 14.425 13.633 15.072 1.00 0.00 N ATOM 2 CA MET A 1 13.749 12.453 14.482 1.00 0.00 C ATOM 3 C MET A 1 12.301 12.808 14.129 1.00 0.00 C ATOM 4 O MET A 1 11.547 13.276 14.986 1.00 0.00 O ATOM 5 CB MET A 1 13.816 11.233 15.429 1.00 0.00 C ATOM 6 CG MET A 1 13.216 9.960 14.812 1.00 0.00 C ATOM 7 SD MET A 1 13.281 8.509 15.901 1.00 0.00 S ATOM 8 CE MET A 1 12.448 7.293 14.843 1.00 0.00 C ATOM 0 H1 MET A 1 15.407 13.387 15.310 1.00 0.00 H new ATOM 0 H2 MET A 1 14.420 14.415 14.386 1.00 0.00 H new ATOM 0 H3 MET A 1 13.923 13.926 15.934 1.00 0.00 H new ATOM 0 HA MET A 1 14.272 12.173 13.567 1.00 0.00 H new ATOM 0 HB2 MET A 1 14.856 11.045 15.697 1.00 0.00 H new ATOM 0 HB3 MET A 1 13.286 11.467 16.352 1.00 0.00 H new ATOM 0 HG2 MET A 1 12.177 10.154 14.544 1.00 0.00 H new ATOM 0 HG3 MET A 1 13.747 9.732 13.888 1.00 0.00 H new ATOM 0 HE1 MET A 1 12.320 6.360 15.392 1.00 0.00 H new ATOM 0 HE2 MET A 1 11.472 7.677 14.547 1.00 0.00 H new ATOM 0 HE3 MET A 1 13.051 7.111 13.954 1.00 0.00 H new ATOM 20 N ALA A 2 11.898 12.568 12.877 1.00 0.00 N ATOM 21 CA ALA A 2 10.520 12.681 12.408 1.00 0.00 C ATOM 22 C ALA A 2 10.314 11.662 11.285 1.00 0.00 C ATOM 23 O ALA A 2 11.263 11.318 10.575 1.00 0.00 O ATOM 24 CB ALA A 2 10.255 14.102 11.890 1.00 0.00 C ATOM 0 H ALA A 2 12.545 12.281 12.142 1.00 0.00 H new ATOM 0 HA ALA A 2 9.826 12.483 13.225 1.00 0.00 H new ATOM 0 HB1 ALA A 2 9.225 14.176 11.542 1.00 0.00 H new ATOM 0 HB2 ALA A 2 10.419 14.819 12.694 1.00 0.00 H new ATOM 0 HB3 ALA A 2 10.933 14.321 11.065 1.00 0.00 H new ATOM 30 N VAL A 3 9.080 11.190 11.115 1.00 0.00 N ATOM 31 CA VAL A 3 8.707 10.295 10.024 1.00 0.00 C ATOM 32 C VAL A 3 8.637 11.154 8.751 1.00 0.00 C ATOM 33 O VAL A 3 7.862 12.114 8.697 1.00 0.00 O ATOM 34 CB VAL A 3 7.377 9.583 10.365 1.00 0.00 C ATOM 35 CG1 VAL A 3 6.981 8.562 9.292 1.00 0.00 C ATOM 36 CG2 VAL A 3 7.463 8.831 11.707 1.00 0.00 C ATOM 0 H VAL A 3 8.305 11.421 11.737 1.00 0.00 H new ATOM 0 HA VAL A 3 9.434 9.499 9.867 1.00 0.00 H new ATOM 0 HB VAL A 3 6.628 10.373 10.421 1.00 0.00 H new ATOM 0 HG11 VAL A 3 6.041 8.086 9.572 1.00 0.00 H new ATOM 0 HG12 VAL A 3 6.860 9.069 8.335 1.00 0.00 H new ATOM 0 HG13 VAL A 3 7.760 7.804 9.205 1.00 0.00 H new ATOM 0 HG21 VAL A 3 6.510 8.344 11.913 1.00 0.00 H new ATOM 0 HG22 VAL A 3 8.251 8.080 11.653 1.00 0.00 H new ATOM 0 HG23 VAL A 3 7.689 9.537 12.506 1.00 0.00 H new ATOM 46 N ALA A 4 9.471 10.844 7.751 1.00 0.00 N ATOM 47 CA ALA A 4 9.406 11.475 6.433 1.00 0.00 C ATOM 48 C ALA A 4 8.169 10.978 5.663 1.00 0.00 C ATOM 49 O ALA A 4 7.372 10.191 6.175 1.00 0.00 O ATOM 50 CB ALA A 4 10.711 11.217 5.664 1.00 0.00 C ATOM 0 H ALA A 4 10.210 10.147 7.836 1.00 0.00 H new ATOM 0 HA ALA A 4 9.300 12.554 6.549 1.00 0.00 H new ATOM 0 HB1 ALA A 4 10.655 11.690 4.684 1.00 0.00 H new ATOM 0 HB2 ALA A 4 11.550 11.634 6.221 1.00 0.00 H new ATOM 0 HB3 ALA A 4 10.855 10.144 5.541 1.00 0.00 H new ATOM 56 N ASP A 5 8.006 11.412 4.414 1.00 0.00 N ATOM 57 CA ASP A 5 6.852 11.090 3.579 1.00 0.00 C ATOM 58 C ASP A 5 7.312 10.965 2.130 1.00 0.00 C ATOM 59 O ASP A 5 8.315 11.574 1.747 1.00 0.00 O ATOM 60 CB ASP A 5 5.794 12.194 3.716 1.00 0.00 C ATOM 61 CG ASP A 5 4.588 11.923 2.806 1.00 0.00 C ATOM 62 OD1 ASP A 5 3.705 11.129 3.197 1.00 0.00 O ATOM 63 OD2 ASP A 5 4.549 12.478 1.688 1.00 0.00 O ATOM 0 H ASP A 5 8.687 12.010 3.946 1.00 0.00 H new ATOM 0 HA ASP A 5 6.409 10.146 3.897 1.00 0.00 H new ATOM 0 HB2 ASP A 5 5.464 12.258 4.753 1.00 0.00 H new ATOM 0 HB3 ASP A 5 6.235 13.158 3.462 1.00 0.00 H new ATOM 68 N LEU A 6 6.581 10.195 1.321 1.00 0.00 N ATOM 69 CA LEU A 6 6.879 9.945 -0.085 1.00 0.00 C ATOM 70 C LEU A 6 7.058 11.228 -0.911 1.00 0.00 C ATOM 71 O LEU A 6 7.789 11.204 -1.903 1.00 0.00 O ATOM 72 CB LEU A 6 5.748 9.108 -0.704 1.00 0.00 C ATOM 73 CG LEU A 6 5.634 7.632 -0.276 1.00 0.00 C ATOM 74 CD1 LEU A 6 4.419 7.021 -0.984 1.00 0.00 C ATOM 75 CD2 LEU A 6 6.892 6.813 -0.601 1.00 0.00 C ATOM 0 H LEU A 6 5.739 9.715 1.640 1.00 0.00 H new ATOM 0 HA LEU A 6 7.829 9.412 -0.112 1.00 0.00 H new ATOM 0 HB2 LEU A 6 4.802 9.598 -0.473 1.00 0.00 H new ATOM 0 HB3 LEU A 6 5.865 9.135 -1.787 1.00 0.00 H new ATOM 0 HG LEU A 6 5.519 7.602 0.808 1.00 0.00 H new ATOM 0 HD11 LEU A 6 4.318 5.975 -0.696 1.00 0.00 H new ATOM 0 HD12 LEU A 6 3.519 7.565 -0.697 1.00 0.00 H new ATOM 0 HD13 LEU A 6 4.555 7.089 -2.063 1.00 0.00 H new ATOM 0 HD21 LEU A 6 6.749 5.783 -0.275 1.00 0.00 H new ATOM 0 HD22 LEU A 6 7.071 6.832 -1.676 1.00 0.00 H new ATOM 0 HD23 LEU A 6 7.749 7.242 -0.083 1.00 0.00 H new ATOM 87 N ALA A 7 6.404 12.333 -0.542 1.00 0.00 N ATOM 88 CA ALA A 7 6.531 13.609 -1.230 1.00 0.00 C ATOM 89 C ALA A 7 7.858 14.315 -0.916 1.00 0.00 C ATOM 90 O ALA A 7 8.306 15.149 -1.705 1.00 0.00 O ATOM 91 CB ALA A 7 5.357 14.518 -0.849 1.00 0.00 C ATOM 0 H ALA A 7 5.765 12.361 0.253 1.00 0.00 H new ATOM 0 HA ALA A 7 6.518 13.406 -2.301 1.00 0.00 H new ATOM 0 HB1 ALA A 7 5.454 15.473 -1.365 1.00 0.00 H new ATOM 0 HB2 ALA A 7 4.420 14.043 -1.138 1.00 0.00 H new ATOM 0 HB3 ALA A 7 5.361 14.686 0.228 1.00 0.00 H new ATOM 97 N LEU A 8 8.476 14.016 0.233 1.00 0.00 N ATOM 98 CA LEU A 8 9.718 14.648 0.684 1.00 0.00 C ATOM 99 C LEU A 8 10.943 13.955 0.083 1.00 0.00 C ATOM 100 O LEU A 8 12.027 14.540 0.063 1.00 0.00 O ATOM 101 CB LEU A 8 9.813 14.626 2.222 1.00 0.00 C ATOM 102 CG LEU A 8 8.675 15.364 2.959 1.00 0.00 C ATOM 103 CD1 LEU A 8 8.873 15.237 4.472 1.00 0.00 C ATOM 104 CD2 LEU A 8 8.594 16.850 2.584 1.00 0.00 C ATOM 0 H LEU A 8 8.120 13.317 0.885 1.00 0.00 H new ATOM 0 HA LEU A 8 9.702 15.683 0.342 1.00 0.00 H new ATOM 0 HB2 LEU A 8 9.827 13.588 2.555 1.00 0.00 H new ATOM 0 HB3 LEU A 8 10.764 15.069 2.518 1.00 0.00 H new ATOM 0 HG LEU A 8 7.739 14.896 2.653 1.00 0.00 H new ATOM 0 HD11 LEU A 8 8.068 15.759 4.989 1.00 0.00 H new ATOM 0 HD12 LEU A 8 8.862 14.184 4.753 1.00 0.00 H new ATOM 0 HD13 LEU A 8 9.830 15.678 4.752 1.00 0.00 H new ATOM 0 HD21 LEU A 8 7.777 17.319 3.131 1.00 0.00 H new ATOM 0 HD22 LEU A 8 9.532 17.342 2.841 1.00 0.00 H new ATOM 0 HD23 LEU A 8 8.415 16.946 1.513 1.00 0.00 H new ATOM 116 N ILE A 9 10.787 12.713 -0.387 1.00 0.00 N ATOM 117 CA ILE A 9 11.833 11.947 -1.058 1.00 0.00 C ATOM 118 C ILE A 9 12.357 12.751 -2.267 1.00 0.00 C ATOM 119 O ILE A 9 11.533 13.331 -2.979 1.00 0.00 O ATOM 120 CB ILE A 9 11.250 10.567 -1.463 1.00 0.00 C ATOM 121 CG1 ILE A 9 10.963 9.755 -0.176 1.00 0.00 C ATOM 122 CG2 ILE A 9 12.186 9.800 -2.406 1.00 0.00 C ATOM 123 CD1 ILE A 9 10.415 8.346 -0.403 1.00 0.00 C ATOM 0 H ILE A 9 9.907 12.203 -0.308 1.00 0.00 H new ATOM 0 HA ILE A 9 12.683 11.771 -0.398 1.00 0.00 H new ATOM 0 HB ILE A 9 10.324 10.723 -2.016 1.00 0.00 H new ATOM 0 HG12 ILE A 9 11.885 9.680 0.400 1.00 0.00 H new ATOM 0 HG13 ILE A 9 10.250 10.311 0.434 1.00 0.00 H new ATOM 0 HG21 ILE A 9 11.737 8.840 -2.663 1.00 0.00 H new ATOM 0 HG22 ILE A 9 12.344 10.382 -3.314 1.00 0.00 H new ATOM 0 HG23 ILE A 9 13.143 9.632 -1.912 1.00 0.00 H new ATOM 0 HD11 ILE A 9 10.248 7.861 0.559 1.00 0.00 H new ATOM 0 HD12 ILE A 9 9.473 8.405 -0.948 1.00 0.00 H new ATOM 0 HD13 ILE A 9 11.133 7.765 -0.982 1.00 0.00 H new ATOM 135 N PRO A 10 13.686 12.791 -2.526 1.00 0.00 N ATOM 136 CA PRO A 10 14.252 13.335 -3.759 1.00 0.00 C ATOM 137 C PRO A 10 13.682 12.569 -4.960 1.00 0.00 C ATOM 138 O PRO A 10 14.096 11.445 -5.260 1.00 0.00 O ATOM 139 CB PRO A 10 15.781 13.234 -3.634 1.00 0.00 C ATOM 140 CG PRO A 10 16.014 13.064 -2.134 1.00 0.00 C ATOM 141 CD PRO A 10 14.757 12.346 -1.648 1.00 0.00 C ATOM 0 HA PRO A 10 13.989 14.381 -3.918 1.00 0.00 H new ATOM 0 HB2 PRO A 10 16.173 12.388 -4.198 1.00 0.00 H new ATOM 0 HB3 PRO A 10 16.273 14.128 -4.016 1.00 0.00 H new ATOM 0 HG2 PRO A 10 16.912 12.479 -1.933 1.00 0.00 H new ATOM 0 HG3 PRO A 10 16.142 14.026 -1.638 1.00 0.00 H new ATOM 0 HD2 PRO A 10 14.880 11.264 -1.698 1.00 0.00 H new ATOM 0 HD3 PRO A 10 14.541 12.595 -0.609 1.00 0.00 H new ATOM 149 N ASP A 11 12.679 13.169 -5.599 1.00 0.00 N ATOM 150 CA ASP A 11 11.841 12.541 -6.616 1.00 0.00 C ATOM 151 C ASP A 11 12.583 12.317 -7.935 1.00 0.00 C ATOM 152 O ASP A 11 12.348 11.333 -8.638 1.00 0.00 O ATOM 153 CB ASP A 11 10.631 13.451 -6.843 1.00 0.00 C ATOM 154 CG ASP A 11 9.515 12.731 -7.594 1.00 0.00 C ATOM 155 OD1 ASP A 11 8.868 11.859 -6.974 1.00 0.00 O ATOM 156 OD2 ASP A 11 9.227 13.068 -8.762 1.00 0.00 O ATOM 0 H ASP A 11 12.420 14.138 -5.416 1.00 0.00 H new ATOM 0 HA ASP A 11 11.539 11.555 -6.264 1.00 0.00 H new ATOM 0 HB2 ASP A 11 10.255 13.802 -5.882 1.00 0.00 H new ATOM 0 HB3 ASP A 11 10.939 14.332 -7.406 1.00 0.00 H new ATOM 161 N VAL A 12 13.518 13.217 -8.240 1.00 0.00 N ATOM 162 CA VAL A 12 14.357 13.195 -9.426 1.00 0.00 C ATOM 163 C VAL A 12 15.736 13.648 -8.959 1.00 0.00 C ATOM 164 O VAL A 12 15.856 14.690 -8.309 1.00 0.00 O ATOM 165 CB VAL A 12 13.804 14.152 -10.508 1.00 0.00 C ATOM 166 CG1 VAL A 12 14.646 14.095 -11.793 1.00 0.00 C ATOM 167 CG2 VAL A 12 12.348 13.863 -10.889 1.00 0.00 C ATOM 0 H VAL A 12 13.716 14.015 -7.636 1.00 0.00 H new ATOM 0 HA VAL A 12 14.390 12.203 -9.877 1.00 0.00 H new ATOM 0 HB VAL A 12 13.857 15.143 -10.056 1.00 0.00 H new ATOM 0 HG11 VAL A 12 14.229 14.780 -12.532 1.00 0.00 H new ATOM 0 HG12 VAL A 12 15.673 14.384 -11.568 1.00 0.00 H new ATOM 0 HG13 VAL A 12 14.634 13.080 -12.191 1.00 0.00 H new ATOM 0 HG21 VAL A 12 12.024 14.571 -11.652 1.00 0.00 H new ATOM 0 HG22 VAL A 12 12.268 12.848 -11.278 1.00 0.00 H new ATOM 0 HG23 VAL A 12 11.714 13.964 -10.008 1.00 0.00 H new ATOM 177 N ASP A 13 16.772 12.879 -9.284 1.00 0.00 N ATOM 178 CA ASP A 13 18.158 13.294 -9.104 1.00 0.00 C ATOM 179 C ASP A 13 18.985 12.560 -10.150 1.00 0.00 C ATOM 180 O ASP A 13 19.128 11.339 -10.088 1.00 0.00 O ATOM 181 CB ASP A 13 18.668 13.016 -7.683 1.00 0.00 C ATOM 182 CG ASP A 13 20.147 13.407 -7.550 1.00 0.00 C ATOM 183 OD1 ASP A 13 20.518 14.539 -7.934 1.00 0.00 O ATOM 184 OD2 ASP A 13 20.937 12.591 -7.029 1.00 0.00 O ATOM 0 H ASP A 13 16.672 11.945 -9.682 1.00 0.00 H new ATOM 0 HA ASP A 13 18.243 14.373 -9.235 1.00 0.00 H new ATOM 0 HB2 ASP A 13 18.073 13.576 -6.962 1.00 0.00 H new ATOM 0 HB3 ASP A 13 18.544 11.959 -7.447 1.00 0.00 H new ATOM 189 N ILE A 14 19.453 13.291 -11.157 1.00 0.00 N ATOM 190 CA ILE A 14 20.123 12.754 -12.335 1.00 0.00 C ATOM 191 C ILE A 14 21.329 13.643 -12.652 1.00 0.00 C ATOM 192 O ILE A 14 21.353 14.818 -12.272 1.00 0.00 O ATOM 193 CB ILE A 14 19.142 12.647 -13.533 1.00 0.00 C ATOM 194 CG1 ILE A 14 18.413 13.976 -13.840 1.00 0.00 C ATOM 195 CG2 ILE A 14 18.118 11.519 -13.304 1.00 0.00 C ATOM 196 CD1 ILE A 14 17.715 13.995 -15.205 1.00 0.00 C ATOM 0 H ILE A 14 19.373 14.308 -11.175 1.00 0.00 H new ATOM 0 HA ILE A 14 20.473 11.741 -12.138 1.00 0.00 H new ATOM 0 HB ILE A 14 19.751 12.410 -14.405 1.00 0.00 H new ATOM 0 HG12 ILE A 14 17.674 14.163 -13.061 1.00 0.00 H new ATOM 0 HG13 ILE A 14 19.133 14.793 -13.799 1.00 0.00 H new ATOM 0 HG21 ILE A 14 17.441 11.463 -14.157 1.00 0.00 H new ATOM 0 HG22 ILE A 14 18.641 10.569 -13.193 1.00 0.00 H new ATOM 0 HG23 ILE A 14 17.546 11.725 -12.400 1.00 0.00 H new ATOM 0 HD11 ILE A 14 17.226 14.958 -15.350 1.00 0.00 H new ATOM 0 HD12 ILE A 14 18.452 13.840 -15.993 1.00 0.00 H new ATOM 0 HD13 ILE A 14 16.970 13.200 -15.244 1.00 0.00 H new ATOM 208 N ASP A 15 22.339 13.084 -13.322 1.00 0.00 N ATOM 209 CA ASP A 15 23.579 13.813 -13.605 1.00 0.00 C ATOM 210 C ASP A 15 23.366 14.961 -14.602 1.00 0.00 C ATOM 211 O ASP A 15 23.979 16.020 -14.450 1.00 0.00 O ATOM 212 CB ASP A 15 24.658 12.855 -14.118 1.00 0.00 C ATOM 213 CG ASP A 15 25.997 13.585 -14.332 1.00 0.00 C ATOM 214 OD1 ASP A 15 26.543 14.150 -13.356 1.00 0.00 O ATOM 215 OD2 ASP A 15 26.544 13.537 -15.453 1.00 0.00 O ATOM 0 H ASP A 15 22.323 12.129 -13.679 1.00 0.00 H new ATOM 0 HA ASP A 15 23.911 14.258 -12.667 1.00 0.00 H new ATOM 0 HB2 ASP A 15 24.794 12.042 -13.405 1.00 0.00 H new ATOM 0 HB3 ASP A 15 24.332 12.405 -15.056 1.00 0.00 H new ATOM 220 N SER A 16 22.452 14.773 -15.566 1.00 0.00 N ATOM 221 CA SER A 16 22.143 15.694 -16.667 1.00 0.00 C ATOM 222 C SER A 16 23.378 16.080 -17.511 1.00 0.00 C ATOM 223 O SER A 16 24.483 15.582 -17.289 1.00 0.00 O ATOM 224 CB SER A 16 21.388 16.920 -16.123 1.00 0.00 C ATOM 225 OG SER A 16 20.207 16.521 -15.450 1.00 0.00 O ATOM 0 H SER A 16 21.879 13.930 -15.599 1.00 0.00 H new ATOM 0 HA SER A 16 21.492 15.168 -17.365 1.00 0.00 H new ATOM 0 HB2 SER A 16 22.031 17.477 -15.441 1.00 0.00 H new ATOM 0 HB3 SER A 16 21.136 17.592 -16.943 1.00 0.00 H new ATOM 0 HG SER A 16 19.741 17.313 -15.110 1.00 0.00 H new ATOM 231 N ASP A 17 23.175 16.960 -18.504 1.00 0.00 N ATOM 232 CA ASP A 17 24.221 17.611 -19.309 1.00 0.00 C ATOM 233 C ASP A 17 25.290 16.633 -19.833 1.00 0.00 C ATOM 234 O ASP A 17 26.495 16.881 -19.740 1.00 0.00 O ATOM 235 CB ASP A 17 24.796 18.803 -18.523 1.00 0.00 C ATOM 236 CG ASP A 17 25.790 19.646 -19.346 1.00 0.00 C ATOM 237 OD1 ASP A 17 25.499 19.967 -20.520 1.00 0.00 O ATOM 238 OD2 ASP A 17 26.842 20.048 -18.800 1.00 0.00 O ATOM 0 H ASP A 17 22.237 17.250 -18.780 1.00 0.00 H new ATOM 0 HA ASP A 17 23.767 17.996 -20.222 1.00 0.00 H new ATOM 0 HB2 ASP A 17 23.977 19.440 -18.190 1.00 0.00 H new ATOM 0 HB3 ASP A 17 25.296 18.433 -17.628 1.00 0.00 H new ATOM 243 N GLY A 18 24.855 15.474 -20.338 1.00 0.00 N ATOM 244 CA GLY A 18 25.745 14.380 -20.702 1.00 0.00 C ATOM 245 C GLY A 18 24.963 13.166 -21.187 1.00 0.00 C ATOM 246 O GLY A 18 23.816 13.289 -21.625 1.00 0.00 O ATOM 0 H GLY A 18 23.869 15.273 -20.505 1.00 0.00 H new ATOM 0 HA2 GLY A 18 26.429 14.710 -21.484 1.00 0.00 H new ATOM 0 HA3 GLY A 18 26.354 14.103 -19.842 1.00 0.00 H new ATOM 250 N VAL A 19 25.590 11.991 -21.107 1.00 0.00 N ATOM 251 CA VAL A 19 25.028 10.718 -21.545 1.00 0.00 C ATOM 252 C VAL A 19 25.313 9.699 -20.438 1.00 0.00 C ATOM 253 O VAL A 19 26.457 9.601 -19.981 1.00 0.00 O ATOM 254 CB VAL A 19 25.640 10.303 -22.903 1.00 0.00 C ATOM 255 CG1 VAL A 19 24.990 9.014 -23.421 1.00 0.00 C ATOM 256 CG2 VAL A 19 25.500 11.388 -23.989 1.00 0.00 C ATOM 0 H VAL A 19 26.531 11.899 -20.724 1.00 0.00 H new ATOM 0 HA VAL A 19 23.952 10.786 -21.706 1.00 0.00 H new ATOM 0 HB VAL A 19 26.702 10.149 -22.712 1.00 0.00 H new ATOM 0 HG11 VAL A 19 25.436 8.741 -24.377 1.00 0.00 H new ATOM 0 HG12 VAL A 19 25.152 8.211 -22.702 1.00 0.00 H new ATOM 0 HG13 VAL A 19 23.920 9.173 -23.552 1.00 0.00 H new ATOM 0 HG21 VAL A 19 25.949 11.034 -24.917 1.00 0.00 H new ATOM 0 HG22 VAL A 19 24.444 11.602 -24.156 1.00 0.00 H new ATOM 0 HG23 VAL A 19 26.007 12.296 -23.663 1.00 0.00 H new ATOM 266 N PHE A 20 24.286 8.978 -19.981 1.00 0.00 N ATOM 267 CA PHE A 20 24.349 8.038 -18.862 1.00 0.00 C ATOM 268 C PHE A 20 23.161 7.074 -18.922 1.00 0.00 C ATOM 269 O PHE A 20 22.198 7.302 -19.658 1.00 0.00 O ATOM 270 CB PHE A 20 24.352 8.797 -17.520 1.00 0.00 C ATOM 271 CG PHE A 20 23.306 9.895 -17.370 1.00 0.00 C ATOM 272 CD1 PHE A 20 23.589 11.200 -17.821 1.00 0.00 C ATOM 273 CD2 PHE A 20 22.055 9.624 -16.785 1.00 0.00 C ATOM 274 CE1 PHE A 20 22.618 12.210 -17.721 1.00 0.00 C ATOM 275 CE2 PHE A 20 21.095 10.643 -16.655 1.00 0.00 C ATOM 276 CZ PHE A 20 21.371 11.935 -17.132 1.00 0.00 C ATOM 0 H PHE A 20 23.356 9.036 -20.395 1.00 0.00 H new ATOM 0 HA PHE A 20 25.274 7.466 -18.937 1.00 0.00 H new ATOM 0 HB2 PHE A 20 24.209 8.074 -16.717 1.00 0.00 H new ATOM 0 HB3 PHE A 20 25.338 9.240 -17.378 1.00 0.00 H new ATOM 0 HD1 PHE A 20 24.557 11.424 -18.245 1.00 0.00 H new ATOM 0 HD2 PHE A 20 21.831 8.628 -16.434 1.00 0.00 H new ATOM 0 HE1 PHE A 20 22.830 13.200 -18.097 1.00 0.00 H new ATOM 0 HE2 PHE A 20 20.144 10.432 -16.188 1.00 0.00 H new ATOM 0 HZ PHE A 20 20.628 12.714 -17.047 1.00 0.00 H new ATOM 286 N LYS A 21 23.208 5.993 -18.136 1.00 0.00 N ATOM 287 CA LYS A 21 22.065 5.100 -17.960 1.00 0.00 C ATOM 288 C LYS A 21 21.248 5.569 -16.759 1.00 0.00 C ATOM 289 O LYS A 21 21.776 6.240 -15.869 1.00 0.00 O ATOM 290 CB LYS A 21 22.508 3.642 -17.759 1.00 0.00 C ATOM 291 CG LYS A 21 23.176 3.011 -18.995 1.00 0.00 C ATOM 292 CD LYS A 21 24.708 3.074 -18.937 1.00 0.00 C ATOM 293 CE LYS A 21 25.317 2.311 -20.124 1.00 0.00 C ATOM 294 NZ LYS A 21 26.701 1.855 -19.852 1.00 0.00 N ATOM 0 H LYS A 21 24.036 5.716 -17.608 1.00 0.00 H new ATOM 0 HA LYS A 21 21.458 5.134 -18.864 1.00 0.00 H new ATOM 0 HB2 LYS A 21 23.204 3.597 -16.921 1.00 0.00 H new ATOM 0 HB3 LYS A 21 21.639 3.044 -17.484 1.00 0.00 H new ATOM 0 HG2 LYS A 21 22.862 1.971 -19.081 1.00 0.00 H new ATOM 0 HG3 LYS A 21 22.829 3.524 -19.892 1.00 0.00 H new ATOM 0 HD2 LYS A 21 25.037 4.113 -18.956 1.00 0.00 H new ATOM 0 HD3 LYS A 21 25.061 2.645 -18.000 1.00 0.00 H new ATOM 0 HE2 LYS A 21 24.692 1.449 -20.357 1.00 0.00 H new ATOM 0 HE3 LYS A 21 25.315 2.953 -21.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 27.086 1.391 -20.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 27.294 2.673 -19.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 26.695 1.181 -19.060 1.00 0.00 H new ATOM 308 N TYR A 22 19.975 5.187 -16.711 1.00 0.00 N ATOM 309 CA TYR A 22 19.061 5.554 -15.637 1.00 0.00 C ATOM 310 C TYR A 22 18.175 4.349 -15.285 1.00 0.00 C ATOM 311 O TYR A 22 18.191 3.324 -15.982 1.00 0.00 O ATOM 312 CB TYR A 22 18.274 6.823 -16.034 1.00 0.00 C ATOM 313 CG TYR A 22 16.815 6.588 -16.343 1.00 0.00 C ATOM 314 CD1 TYR A 22 16.464 5.858 -17.487 1.00 0.00 C ATOM 315 CD2 TYR A 22 15.826 6.988 -15.425 1.00 0.00 C ATOM 316 CE1 TYR A 22 15.132 5.477 -17.690 1.00 0.00 C ATOM 317 CE2 TYR A 22 14.485 6.634 -15.637 1.00 0.00 C ATOM 318 CZ TYR A 22 14.138 5.865 -16.767 1.00 0.00 C ATOM 319 OH TYR A 22 12.845 5.518 -16.988 1.00 0.00 O ATOM 0 H TYR A 22 19.544 4.605 -17.429 1.00 0.00 H new ATOM 0 HA TYR A 22 19.606 5.809 -14.728 1.00 0.00 H new ATOM 0 HB2 TYR A 22 18.348 7.548 -15.224 1.00 0.00 H new ATOM 0 HB3 TYR A 22 18.749 7.271 -16.907 1.00 0.00 H new ATOM 0 HD1 TYR A 22 17.220 5.590 -18.211 1.00 0.00 H new ATOM 0 HD2 TYR A 22 16.100 7.568 -14.556 1.00 0.00 H new ATOM 0 HE1 TYR A 22 14.865 4.886 -18.554 1.00 0.00 H new ATOM 0 HE2 TYR A 22 13.723 6.949 -14.939 1.00 0.00 H new ATOM 0 HH TYR A 22 12.282 6.319 -16.960 1.00 0.00 H new ATOM 329 N VAL A 23 17.398 4.478 -14.209 1.00 0.00 N ATOM 330 CA VAL A 23 16.431 3.494 -13.750 1.00 0.00 C ATOM 331 C VAL A 23 15.211 4.247 -13.189 1.00 0.00 C ATOM 332 O VAL A 23 15.334 5.379 -12.699 1.00 0.00 O ATOM 333 CB VAL A 23 17.135 2.551 -12.745 1.00 0.00 C ATOM 334 CG1 VAL A 23 17.455 3.231 -11.404 1.00 0.00 C ATOM 335 CG2 VAL A 23 16.363 1.247 -12.506 1.00 0.00 C ATOM 0 H VAL A 23 17.430 5.305 -13.613 1.00 0.00 H new ATOM 0 HA VAL A 23 16.056 2.856 -14.550 1.00 0.00 H new ATOM 0 HB VAL A 23 18.081 2.297 -13.223 1.00 0.00 H new ATOM 0 HG11 VAL A 23 17.948 2.518 -10.743 1.00 0.00 H new ATOM 0 HG12 VAL A 23 18.114 4.082 -11.576 1.00 0.00 H new ATOM 0 HG13 VAL A 23 16.530 3.576 -10.941 1.00 0.00 H new ATOM 0 HG21 VAL A 23 16.907 0.628 -11.792 1.00 0.00 H new ATOM 0 HG22 VAL A 23 15.375 1.477 -12.108 1.00 0.00 H new ATOM 0 HG23 VAL A 23 16.258 0.708 -13.448 1.00 0.00 H new ATOM 345 N LEU A 24 14.041 3.600 -13.234 1.00 0.00 N ATOM 346 CA LEU A 24 12.777 4.111 -12.713 1.00 0.00 C ATOM 347 C LEU A 24 12.375 3.135 -11.620 1.00 0.00 C ATOM 348 O LEU A 24 12.160 1.959 -11.925 1.00 0.00 O ATOM 349 CB LEU A 24 11.722 4.147 -13.839 1.00 0.00 C ATOM 350 CG LEU A 24 10.359 4.774 -13.463 1.00 0.00 C ATOM 351 CD1 LEU A 24 10.485 6.277 -13.208 1.00 0.00 C ATOM 352 CD2 LEU A 24 9.350 4.556 -14.597 1.00 0.00 C ATOM 0 H LEU A 24 13.950 2.673 -13.650 1.00 0.00 H new ATOM 0 HA LEU A 24 12.863 5.127 -12.328 1.00 0.00 H new ATOM 0 HB2 LEU A 24 12.136 4.701 -14.681 1.00 0.00 H new ATOM 0 HB3 LEU A 24 11.549 3.127 -14.182 1.00 0.00 H new ATOM 0 HG LEU A 24 10.017 4.287 -12.550 1.00 0.00 H new ATOM 0 HD11 LEU A 24 9.509 6.685 -12.946 1.00 0.00 H new ATOM 0 HD12 LEU A 24 11.182 6.450 -12.388 1.00 0.00 H new ATOM 0 HD13 LEU A 24 10.854 6.769 -14.108 1.00 0.00 H new ATOM 0 HD21 LEU A 24 8.393 5.001 -14.323 1.00 0.00 H new ATOM 0 HD22 LEU A 24 9.720 5.025 -15.509 1.00 0.00 H new ATOM 0 HD23 LEU A 24 9.218 3.487 -14.766 1.00 0.00 H new ATOM 364 N ILE A 25 12.314 3.574 -10.361 1.00 0.00 N ATOM 365 CA ILE A 25 12.074 2.663 -9.241 1.00 0.00 C ATOM 366 C ILE A 25 10.830 3.115 -8.489 1.00 0.00 C ATOM 367 O ILE A 25 10.678 4.300 -8.191 1.00 0.00 O ATOM 368 CB ILE A 25 13.339 2.399 -8.365 1.00 0.00 C ATOM 369 CG1 ILE A 25 13.303 2.983 -6.936 1.00 0.00 C ATOM 370 CG2 ILE A 25 14.669 2.786 -9.046 1.00 0.00 C ATOM 371 CD1 ILE A 25 14.385 2.404 -6.018 1.00 0.00 C ATOM 0 H ILE A 25 12.427 4.551 -10.092 1.00 0.00 H new ATOM 0 HA ILE A 25 11.865 1.665 -9.626 1.00 0.00 H new ATOM 0 HB ILE A 25 13.301 1.315 -8.261 1.00 0.00 H new ATOM 0 HG12 ILE A 25 13.423 4.065 -6.990 1.00 0.00 H new ATOM 0 HG13 ILE A 25 12.324 2.792 -6.497 1.00 0.00 H new ATOM 0 HG21 ILE A 25 15.499 2.572 -8.372 1.00 0.00 H new ATOM 0 HG22 ILE A 25 14.789 2.210 -9.964 1.00 0.00 H new ATOM 0 HG23 ILE A 25 14.660 3.850 -9.284 1.00 0.00 H new ATOM 0 HD11 ILE A 25 14.304 2.856 -5.030 1.00 0.00 H new ATOM 0 HD12 ILE A 25 14.253 1.325 -5.935 1.00 0.00 H new ATOM 0 HD13 ILE A 25 15.369 2.618 -6.435 1.00 0.00 H new ATOM 383 N ARG A 26 9.933 2.169 -8.212 1.00 0.00 N ATOM 384 CA ARG A 26 8.793 2.355 -7.329 1.00 0.00 C ATOM 385 C ARG A 26 9.296 2.333 -5.895 1.00 0.00 C ATOM 386 O ARG A 26 10.213 1.576 -5.585 1.00 0.00 O ATOM 387 CB ARG A 26 7.783 1.227 -7.578 1.00 0.00 C ATOM 388 CG ARG A 26 6.536 1.333 -6.681 1.00 0.00 C ATOM 389 CD ARG A 26 5.337 0.594 -7.281 1.00 0.00 C ATOM 390 NE ARG A 26 4.792 1.354 -8.414 1.00 0.00 N ATOM 391 CZ ARG A 26 3.928 0.941 -9.342 1.00 0.00 C ATOM 392 NH1 ARG A 26 3.444 -0.299 -9.343 1.00 0.00 N ATOM 393 NH2 ARG A 26 3.567 1.822 -10.264 1.00 0.00 N ATOM 0 H ARG A 26 9.985 1.230 -8.608 1.00 0.00 H new ATOM 0 HA ARG A 26 8.297 3.307 -7.518 1.00 0.00 H new ATOM 0 HB2 ARG A 26 7.475 1.245 -8.624 1.00 0.00 H new ATOM 0 HB3 ARG A 26 8.268 0.266 -7.405 1.00 0.00 H new ATOM 0 HG2 ARG A 26 6.761 0.922 -5.697 1.00 0.00 H new ATOM 0 HG3 ARG A 26 6.280 2.383 -6.537 1.00 0.00 H new ATOM 0 HD2 ARG A 26 5.640 -0.399 -7.611 1.00 0.00 H new ATOM 0 HD3 ARG A 26 4.567 0.456 -6.521 1.00 0.00 H new ATOM 0 HE ARG A 26 5.115 2.318 -8.502 1.00 0.00 H new ATOM 0 HH11 ARG A 26 3.733 -0.960 -8.622 1.00 0.00 H new ATOM 0 HH12 ARG A 26 2.784 -0.588 -10.065 1.00 0.00 H new ATOM 0 HH21 ARG A 26 3.948 2.768 -10.242 1.00 0.00 H new ATOM 0 HH22 ARG A 26 2.908 1.554 -10.995 1.00 0.00 H new ATOM 407 N VAL A 27 8.650 3.100 -5.027 1.00 0.00 N ATOM 408 CA VAL A 27 8.975 3.269 -3.625 1.00 0.00 C ATOM 409 C VAL A 27 7.640 3.176 -2.884 1.00 0.00 C ATOM 410 O VAL A 27 6.671 3.824 -3.292 1.00 0.00 O ATOM 411 CB VAL A 27 9.647 4.648 -3.432 1.00 0.00 C ATOM 412 CG1 VAL A 27 10.123 4.837 -1.990 1.00 0.00 C ATOM 413 CG2 VAL A 27 10.838 4.881 -4.376 1.00 0.00 C ATOM 0 H VAL A 27 7.838 3.652 -5.303 1.00 0.00 H new ATOM 0 HA VAL A 27 9.671 2.519 -3.249 1.00 0.00 H new ATOM 0 HB VAL A 27 8.875 5.379 -3.673 1.00 0.00 H new ATOM 0 HG11 VAL A 27 10.591 5.816 -1.887 1.00 0.00 H new ATOM 0 HG12 VAL A 27 9.271 4.769 -1.314 1.00 0.00 H new ATOM 0 HG13 VAL A 27 10.847 4.061 -1.741 1.00 0.00 H new ATOM 0 HG21 VAL A 27 11.264 5.867 -4.188 1.00 0.00 H new ATOM 0 HG22 VAL A 27 11.597 4.119 -4.199 1.00 0.00 H new ATOM 0 HG23 VAL A 27 10.499 4.823 -5.410 1.00 0.00 H new ATOM 423 N HIS A 28 7.580 2.363 -1.829 1.00 0.00 N ATOM 424 CA HIS A 28 6.379 2.136 -1.027 1.00 0.00 C ATOM 425 C HIS A 28 6.447 2.973 0.255 1.00 0.00 C ATOM 426 O HIS A 28 7.539 3.248 0.764 1.00 0.00 O ATOM 427 CB HIS A 28 6.283 0.640 -0.693 1.00 0.00 C ATOM 428 CG HIS A 28 6.279 -0.255 -1.913 1.00 0.00 C ATOM 429 ND1 HIS A 28 5.362 -0.237 -2.939 1.00 0.00 N ATOM 430 CD2 HIS A 28 7.198 -1.224 -2.220 1.00 0.00 C ATOM 431 CE1 HIS A 28 5.712 -1.176 -3.833 1.00 0.00 C ATOM 432 NE2 HIS A 28 6.832 -1.808 -3.441 1.00 0.00 N ATOM 0 H HIS A 28 8.386 1.831 -1.501 1.00 0.00 H new ATOM 0 HA HIS A 28 5.492 2.437 -1.585 1.00 0.00 H new ATOM 0 HB2 HIS A 28 7.122 0.365 -0.054 1.00 0.00 H new ATOM 0 HB3 HIS A 28 5.373 0.462 -0.119 1.00 0.00 H new ATOM 0 HD2 HIS A 28 8.057 -1.492 -1.623 1.00 0.00 H new ATOM 0 HE1 HIS A 28 5.169 -1.393 -4.741 1.00 0.00 H new ATOM 0 HE2 HIS A 28 7.317 -2.559 -3.932 1.00 0.00 H new ATOM 440 N SER A 29 5.289 3.363 0.791 1.00 0.00 N ATOM 441 CA SER A 29 5.181 4.125 2.030 1.00 0.00 C ATOM 442 C SER A 29 5.666 3.293 3.227 1.00 0.00 C ATOM 443 O SER A 29 4.915 2.480 3.767 1.00 0.00 O ATOM 444 CB SER A 29 3.734 4.572 2.284 1.00 0.00 C ATOM 445 OG SER A 29 3.178 5.306 1.220 1.00 0.00 O ATOM 0 H SER A 29 4.386 3.153 0.366 1.00 0.00 H new ATOM 0 HA SER A 29 5.812 5.007 1.921 1.00 0.00 H new ATOM 0 HB2 SER A 29 3.118 3.692 2.469 1.00 0.00 H new ATOM 0 HB3 SER A 29 3.703 5.179 3.189 1.00 0.00 H new ATOM 0 HG SER A 29 3.111 4.733 0.428 1.00 0.00 H new ATOM 451 N ALA A 30 6.918 3.490 3.643 1.00 0.00 N ATOM 452 CA ALA A 30 7.465 2.964 4.887 1.00 0.00 C ATOM 453 C ALA A 30 8.597 3.826 5.506 1.00 0.00 C ATOM 454 O ALA A 30 9.371 3.248 6.272 1.00 0.00 O ATOM 455 CB ALA A 30 7.889 1.496 4.685 1.00 0.00 C ATOM 0 H ALA A 30 7.594 4.034 3.108 1.00 0.00 H new ATOM 0 HA ALA A 30 6.668 3.010 5.629 1.00 0.00 H new ATOM 0 HB1 ALA A 30 8.298 1.104 5.616 1.00 0.00 H new ATOM 0 HB2 ALA A 30 7.022 0.904 4.392 1.00 0.00 H new ATOM 0 HB3 ALA A 30 8.647 1.440 3.904 1.00 0.00 H new ATOM 461 N PRO A 31 8.772 5.151 5.245 1.00 0.00 N ATOM 462 CA PRO A 31 9.754 5.938 5.994 1.00 0.00 C ATOM 463 C PRO A 31 9.685 5.699 7.507 1.00 0.00 C ATOM 464 O PRO A 31 8.597 5.611 8.085 1.00 0.00 O ATOM 465 CB PRO A 31 9.494 7.406 5.666 1.00 0.00 C ATOM 466 CG PRO A 31 8.894 7.344 4.270 1.00 0.00 C ATOM 467 CD PRO A 31 8.084 6.049 4.314 1.00 0.00 C ATOM 0 HA PRO A 31 10.758 5.634 5.699 1.00 0.00 H new ATOM 0 HB2 PRO A 31 8.809 7.864 6.380 1.00 0.00 H new ATOM 0 HB3 PRO A 31 10.413 7.992 5.685 1.00 0.00 H new ATOM 0 HG2 PRO A 31 8.265 8.209 4.060 1.00 0.00 H new ATOM 0 HG3 PRO A 31 9.664 7.315 3.499 1.00 0.00 H new ATOM 0 HD2 PRO A 31 7.064 6.242 4.646 1.00 0.00 H new ATOM 0 HD3 PRO A 31 8.017 5.601 3.323 1.00 0.00 H new ATOM 475 N ARG A 32 10.863 5.595 8.134 1.00 0.00 N ATOM 476 CA ARG A 32 11.066 5.310 9.560 1.00 0.00 C ATOM 477 C ARG A 32 10.182 4.168 10.095 1.00 0.00 C ATOM 478 O ARG A 32 9.884 4.134 11.289 1.00 0.00 O ATOM 479 CB ARG A 32 10.943 6.628 10.360 1.00 0.00 C ATOM 480 CG ARG A 32 12.022 7.675 10.016 1.00 0.00 C ATOM 481 CD ARG A 32 13.399 7.266 10.556 1.00 0.00 C ATOM 482 NE ARG A 32 14.447 8.247 10.216 1.00 0.00 N ATOM 483 CZ ARG A 32 15.318 8.142 9.202 1.00 0.00 C ATOM 484 NH1 ARG A 32 15.152 7.220 8.260 1.00 0.00 N ATOM 485 NH2 ARG A 32 16.363 8.960 9.138 1.00 0.00 N ATOM 0 H ARG A 32 11.745 5.713 7.636 1.00 0.00 H new ATOM 0 HA ARG A 32 12.075 4.922 9.696 1.00 0.00 H new ATOM 0 HB2 ARG A 32 9.960 7.061 10.177 1.00 0.00 H new ATOM 0 HB3 ARG A 32 10.998 6.401 11.425 1.00 0.00 H new ATOM 0 HG2 ARG A 32 12.077 7.800 8.935 1.00 0.00 H new ATOM 0 HG3 ARG A 32 11.739 8.641 10.434 1.00 0.00 H new ATOM 0 HD2 ARG A 32 13.344 7.157 11.639 1.00 0.00 H new ATOM 0 HD3 ARG A 32 13.671 6.292 10.151 1.00 0.00 H new ATOM 0 HE ARG A 32 14.515 9.078 10.804 1.00 0.00 H new ATOM 0 HH11 ARG A 32 14.356 6.584 8.304 1.00 0.00 H new ATOM 0 HH12 ARG A 32 15.820 7.149 7.493 1.00 0.00 H new ATOM 0 HH21 ARG A 32 16.502 9.667 9.860 1.00 0.00 H new ATOM 0 HH22 ARG A 32 17.026 8.881 8.367 1.00 0.00 H new ATOM 499 N SER A 33 9.775 3.230 9.230 1.00 0.00 N ATOM 500 CA SER A 33 8.888 2.114 9.549 1.00 0.00 C ATOM 501 C SER A 33 7.607 2.561 10.283 1.00 0.00 C ATOM 502 O SER A 33 7.094 1.829 11.134 1.00 0.00 O ATOM 503 CB SER A 33 9.683 1.027 10.295 1.00 0.00 C ATOM 504 OG SER A 33 10.891 0.712 9.612 1.00 0.00 O ATOM 0 H SER A 33 10.068 3.232 8.253 1.00 0.00 H new ATOM 0 HA SER A 33 8.521 1.679 8.620 1.00 0.00 H new ATOM 0 HB2 SER A 33 9.912 1.368 11.305 1.00 0.00 H new ATOM 0 HB3 SER A 33 9.073 0.129 10.393 1.00 0.00 H new ATOM 0 HG SER A 33 11.377 0.021 10.108 1.00 0.00 H new ATOM 510 N GLY A 34 7.093 3.761 9.979 1.00 0.00 N ATOM 511 CA GLY A 34 5.979 4.371 10.705 1.00 0.00 C ATOM 512 C GLY A 34 5.069 5.209 9.810 1.00 0.00 C ATOM 513 O GLY A 34 4.393 6.112 10.306 1.00 0.00 O ATOM 0 H GLY A 34 7.445 4.338 9.215 1.00 0.00 H new ATOM 0 HA2 GLY A 34 5.390 3.587 11.180 1.00 0.00 H new ATOM 0 HA3 GLY A 34 6.374 5.000 11.503 1.00 0.00 H new ATOM 517 N ALA A 35 5.065 4.943 8.498 1.00 0.00 N ATOM 518 CA ALA A 35 4.230 5.658 7.538 1.00 0.00 C ATOM 519 C ALA A 35 2.732 5.476 7.860 1.00 0.00 C ATOM 520 O ALA A 35 2.343 4.407 8.341 1.00 0.00 O ATOM 521 CB ALA A 35 4.539 5.153 6.126 1.00 0.00 C ATOM 0 H ALA A 35 5.647 4.220 8.075 1.00 0.00 H new ATOM 0 HA ALA A 35 4.454 6.723 7.601 1.00 0.00 H new ATOM 0 HB1 ALA A 35 3.917 5.684 5.405 1.00 0.00 H new ATOM 0 HB2 ALA A 35 5.590 5.330 5.898 1.00 0.00 H new ATOM 0 HB3 ALA A 35 4.330 4.085 6.068 1.00 0.00 H new ATOM 527 N PRO A 36 1.875 6.468 7.558 1.00 0.00 N ATOM 528 CA PRO A 36 0.444 6.418 7.859 1.00 0.00 C ATOM 529 C PRO A 36 -0.371 5.575 6.862 1.00 0.00 C ATOM 530 O PRO A 36 -1.574 5.389 7.069 1.00 0.00 O ATOM 531 CB PRO A 36 -0.007 7.883 7.836 1.00 0.00 C ATOM 532 CG PRO A 36 0.908 8.508 6.785 1.00 0.00 C ATOM 533 CD PRO A 36 2.228 7.775 7.015 1.00 0.00 C ATOM 0 HA PRO A 36 0.274 5.930 8.818 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -1.058 7.977 7.563 1.00 0.00 H new ATOM 0 HB3 PRO A 36 0.114 8.358 8.810 1.00 0.00 H new ATOM 0 HG2 PRO A 36 0.529 8.354 5.775 1.00 0.00 H new ATOM 0 HG3 PRO A 36 1.012 9.584 6.926 1.00 0.00 H new ATOM 0 HD2 PRO A 36 2.785 7.673 6.083 1.00 0.00 H new ATOM 0 HD3 PRO A 36 2.864 8.326 7.708 1.00 0.00 H new ATOM 541 N ALA A 37 0.241 5.095 5.775 1.00 0.00 N ATOM 542 CA ALA A 37 -0.432 4.464 4.645 1.00 0.00 C ATOM 543 C ALA A 37 0.516 3.470 3.961 1.00 0.00 C ATOM 544 O ALA A 37 1.647 3.284 4.414 1.00 0.00 O ATOM 545 CB ALA A 37 -0.866 5.573 3.674 1.00 0.00 C ATOM 0 H ALA A 37 1.253 5.139 5.658 1.00 0.00 H new ATOM 0 HA ALA A 37 -1.308 3.907 4.978 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -1.373 5.129 2.818 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -1.545 6.257 4.183 1.00 0.00 H new ATOM 0 HB3 ALA A 37 0.012 6.121 3.332 1.00 0.00 H new ATOM 551 N ALA A 38 0.068 2.873 2.850 1.00 0.00 N ATOM 552 CA ALA A 38 0.838 1.969 1.995 1.00 0.00 C ATOM 553 C ALA A 38 0.668 2.361 0.524 1.00 0.00 C ATOM 554 O ALA A 38 0.556 1.503 -0.356 1.00 0.00 O ATOM 555 CB ALA A 38 0.464 0.510 2.284 1.00 0.00 C ATOM 0 H ALA A 38 -0.883 3.015 2.510 1.00 0.00 H new ATOM 0 HA ALA A 38 1.900 2.063 2.221 1.00 0.00 H new ATOM 0 HB1 ALA A 38 1.046 -0.149 1.640 1.00 0.00 H new ATOM 0 HB2 ALA A 38 0.678 0.279 3.327 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -0.598 0.362 2.091 1.00 0.00 H new ATOM 561 N GLU A 39 0.608 3.669 0.263 1.00 0.00 N ATOM 562 CA GLU A 39 0.663 4.198 -1.093 1.00 0.00 C ATOM 563 C GLU A 39 2.073 3.998 -1.666 1.00 0.00 C ATOM 564 O GLU A 39 3.012 3.691 -0.920 1.00 0.00 O ATOM 565 CB GLU A 39 0.267 5.687 -1.098 1.00 0.00 C ATOM 566 CG GLU A 39 -1.166 5.956 -0.607 1.00 0.00 C ATOM 567 CD GLU A 39 -2.233 5.258 -1.471 1.00 0.00 C ATOM 568 OE1 GLU A 39 -2.453 5.673 -2.631 1.00 0.00 O ATOM 569 OE2 GLU A 39 -2.885 4.303 -0.991 1.00 0.00 O ATOM 0 H GLU A 39 0.520 4.384 0.985 1.00 0.00 H new ATOM 0 HA GLU A 39 -0.046 3.661 -1.723 1.00 0.00 H new ATOM 0 HB2 GLU A 39 0.965 6.240 -0.469 1.00 0.00 H new ATOM 0 HB3 GLU A 39 0.372 6.077 -2.110 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -1.262 5.617 0.425 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -1.350 7.030 -0.608 1.00 0.00 H new ATOM 576 N SER A 40 2.241 4.213 -2.973 1.00 0.00 N ATOM 577 CA SER A 40 3.524 4.103 -3.661 1.00 0.00 C ATOM 578 C SER A 40 3.651 5.195 -4.728 1.00 0.00 C ATOM 579 O SER A 40 2.646 5.752 -5.182 1.00 0.00 O ATOM 580 CB SER A 40 3.668 2.719 -4.313 1.00 0.00 C ATOM 581 OG SER A 40 3.313 1.668 -3.430 1.00 0.00 O ATOM 0 H SER A 40 1.473 4.473 -3.592 1.00 0.00 H new ATOM 0 HA SER A 40 4.319 4.230 -2.926 1.00 0.00 H new ATOM 0 HB2 SER A 40 3.039 2.672 -5.202 1.00 0.00 H new ATOM 0 HB3 SER A 40 4.698 2.581 -4.643 1.00 0.00 H new ATOM 0 HG SER A 40 4.039 1.011 -3.395 1.00 0.00 H new ATOM 587 N LYS A 41 4.887 5.490 -5.136 1.00 0.00 N ATOM 588 CA LYS A 41 5.242 6.455 -6.184 1.00 0.00 C ATOM 589 C LYS A 41 6.565 6.037 -6.809 1.00 0.00 C ATOM 590 O LYS A 41 7.242 5.166 -6.265 1.00 0.00 O ATOM 591 CB LYS A 41 5.264 7.905 -5.650 1.00 0.00 C ATOM 592 CG LYS A 41 6.036 8.167 -4.342 1.00 0.00 C ATOM 593 CD LYS A 41 7.570 8.246 -4.388 1.00 0.00 C ATOM 594 CE LYS A 41 8.132 9.408 -5.213 1.00 0.00 C ATOM 595 NZ LYS A 41 7.693 10.751 -4.760 1.00 0.00 N ATOM 0 H LYS A 41 5.707 5.043 -4.727 1.00 0.00 H new ATOM 0 HA LYS A 41 4.475 6.447 -6.959 1.00 0.00 H new ATOM 0 HB2 LYS A 41 5.688 8.543 -6.425 1.00 0.00 H new ATOM 0 HB3 LYS A 41 4.233 8.225 -5.502 1.00 0.00 H new ATOM 0 HG2 LYS A 41 5.670 9.106 -3.926 1.00 0.00 H new ATOM 0 HG3 LYS A 41 5.768 7.380 -3.638 1.00 0.00 H new ATOM 0 HD2 LYS A 41 7.946 8.329 -3.368 1.00 0.00 H new ATOM 0 HD3 LYS A 41 7.955 7.311 -4.795 1.00 0.00 H new ATOM 0 HE2 LYS A 41 9.221 9.366 -5.183 1.00 0.00 H new ATOM 0 HE3 LYS A 41 7.837 9.275 -6.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 8.157 11.481 -5.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 6.661 10.832 -4.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 7.953 10.883 -3.762 1.00 0.00 H new ATOM 609 N GLU A 42 6.944 6.639 -7.932 1.00 0.00 N ATOM 610 CA GLU A 42 8.180 6.309 -8.634 1.00 0.00 C ATOM 611 C GLU A 42 9.177 7.451 -8.461 1.00 0.00 C ATOM 612 O GLU A 42 8.772 8.599 -8.255 1.00 0.00 O ATOM 613 CB GLU A 42 7.915 6.089 -10.132 1.00 0.00 C ATOM 614 CG GLU A 42 7.108 4.827 -10.464 1.00 0.00 C ATOM 615 CD GLU A 42 5.629 4.882 -10.046 1.00 0.00 C ATOM 616 OE1 GLU A 42 4.909 5.830 -10.430 1.00 0.00 O ATOM 617 OE2 GLU A 42 5.168 3.935 -9.368 1.00 0.00 O ATOM 0 H GLU A 42 6.399 7.374 -8.383 1.00 0.00 H new ATOM 0 HA GLU A 42 8.585 5.389 -8.213 1.00 0.00 H new ATOM 0 HB2 GLU A 42 7.384 6.956 -10.524 1.00 0.00 H new ATOM 0 HB3 GLU A 42 8.871 6.039 -10.652 1.00 0.00 H new ATOM 0 HG2 GLU A 42 7.162 4.650 -11.538 1.00 0.00 H new ATOM 0 HG3 GLU A 42 7.578 3.973 -9.976 1.00 0.00 H new ATOM 624 N ILE A 43 10.469 7.153 -8.604 1.00 0.00 N ATOM 625 CA ILE A 43 11.555 8.127 -8.614 1.00 0.00 C ATOM 626 C ILE A 43 12.489 7.828 -9.786 1.00 0.00 C ATOM 627 O ILE A 43 12.555 6.693 -10.267 1.00 0.00 O ATOM 628 CB ILE A 43 12.315 8.151 -7.268 1.00 0.00 C ATOM 629 CG1 ILE A 43 12.960 6.790 -6.934 1.00 0.00 C ATOM 630 CG2 ILE A 43 11.363 8.605 -6.151 1.00 0.00 C ATOM 631 CD1 ILE A 43 13.879 6.822 -5.713 1.00 0.00 C ATOM 0 H ILE A 43 10.797 6.194 -8.720 1.00 0.00 H new ATOM 0 HA ILE A 43 11.134 9.124 -8.744 1.00 0.00 H new ATOM 0 HB ILE A 43 13.135 8.864 -7.354 1.00 0.00 H new ATOM 0 HG12 ILE A 43 12.171 6.057 -6.763 1.00 0.00 H new ATOM 0 HG13 ILE A 43 13.531 6.448 -7.797 1.00 0.00 H new ATOM 0 HG21 ILE A 43 11.898 8.622 -5.202 1.00 0.00 H new ATOM 0 HG22 ILE A 43 10.989 9.604 -6.375 1.00 0.00 H new ATOM 0 HG23 ILE A 43 10.525 7.911 -6.083 1.00 0.00 H new ATOM 0 HD11 ILE A 43 14.293 5.828 -5.543 1.00 0.00 H new ATOM 0 HD12 ILE A 43 14.690 7.529 -5.887 1.00 0.00 H new ATOM 0 HD13 ILE A 43 13.309 7.132 -4.837 1.00 0.00 H new ATOM 643 N VAL A 44 13.211 8.856 -10.227 1.00 0.00 N ATOM 644 CA VAL A 44 14.003 8.859 -11.450 1.00 0.00 C ATOM 645 C VAL A 44 15.443 9.138 -11.028 1.00 0.00 C ATOM 646 O VAL A 44 15.721 10.211 -10.483 1.00 0.00 O ATOM 647 CB VAL A 44 13.440 9.950 -12.391 1.00 0.00 C ATOM 648 CG1 VAL A 44 14.228 10.078 -13.701 1.00 0.00 C ATOM 649 CG2 VAL A 44 11.965 9.707 -12.755 1.00 0.00 C ATOM 0 H VAL A 44 13.261 9.741 -9.722 1.00 0.00 H new ATOM 0 HA VAL A 44 13.965 7.914 -11.991 1.00 0.00 H new ATOM 0 HB VAL A 44 13.536 10.873 -11.820 1.00 0.00 H new ATOM 0 HG11 VAL A 44 13.784 10.859 -14.318 1.00 0.00 H new ATOM 0 HG12 VAL A 44 15.264 10.335 -13.479 1.00 0.00 H new ATOM 0 HG13 VAL A 44 14.197 9.130 -14.238 1.00 0.00 H new ATOM 0 HG21 VAL A 44 11.618 10.500 -13.417 1.00 0.00 H new ATOM 0 HG22 VAL A 44 11.868 8.746 -13.259 1.00 0.00 H new ATOM 0 HG23 VAL A 44 11.362 9.703 -11.847 1.00 0.00 H new ATOM 659 N ARG A 45 16.359 8.188 -11.255 1.00 0.00 N ATOM 660 CA ARG A 45 17.771 8.336 -10.891 1.00 0.00 C ATOM 661 C ARG A 45 18.623 7.794 -12.032 1.00 0.00 C ATOM 662 O ARG A 45 18.211 6.841 -12.698 1.00 0.00 O ATOM 663 CB ARG A 45 18.085 7.584 -9.581 1.00 0.00 C ATOM 664 CG ARG A 45 17.283 8.004 -8.331 1.00 0.00 C ATOM 665 CD ARG A 45 17.537 9.432 -7.838 1.00 0.00 C ATOM 666 NE ARG A 45 16.736 9.745 -6.635 1.00 0.00 N ATOM 667 CZ ARG A 45 17.042 9.422 -5.368 1.00 0.00 C ATOM 668 NH1 ARG A 45 18.191 8.837 -5.048 1.00 0.00 N ATOM 669 NH2 ARG A 45 16.194 9.677 -4.383 1.00 0.00 N ATOM 0 H ARG A 45 16.140 7.295 -11.697 1.00 0.00 H new ATOM 0 HA ARG A 45 17.995 9.390 -10.726 1.00 0.00 H new ATOM 0 HB2 ARG A 45 17.918 6.520 -9.751 1.00 0.00 H new ATOM 0 HB3 ARG A 45 19.146 7.709 -9.363 1.00 0.00 H new ATOM 0 HG2 ARG A 45 16.220 7.896 -8.549 1.00 0.00 H new ATOM 0 HG3 ARG A 45 17.515 7.312 -7.522 1.00 0.00 H new ATOM 0 HD2 ARG A 45 18.596 9.556 -7.613 1.00 0.00 H new ATOM 0 HD3 ARG A 45 17.295 10.139 -8.631 1.00 0.00 H new ATOM 0 HE ARG A 45 15.866 10.256 -6.782 1.00 0.00 H new ATOM 0 HH11 ARG A 45 18.873 8.620 -5.775 1.00 0.00 H new ATOM 0 HH12 ARG A 45 18.392 8.605 -4.075 1.00 0.00 H new ATOM 0 HH21 ARG A 45 15.299 10.123 -4.583 1.00 0.00 H new ATOM 0 HH22 ARG A 45 16.436 9.428 -3.424 1.00 0.00 H new ATOM 683 N GLY A 46 19.802 8.365 -12.263 1.00 0.00 N ATOM 684 CA GLY A 46 20.694 7.938 -13.332 1.00 0.00 C ATOM 685 C GLY A 46 21.908 8.839 -13.414 1.00 0.00 C ATOM 686 O GLY A 46 21.777 10.064 -13.338 1.00 0.00 O ATOM 0 H GLY A 46 20.166 9.141 -11.710 1.00 0.00 H new ATOM 0 HA2 GLY A 46 21.010 6.910 -13.158 1.00 0.00 H new ATOM 0 HA3 GLY A 46 20.161 7.951 -14.283 1.00 0.00 H new ATOM 690 N TYR A 47 23.087 8.231 -13.550 1.00 0.00 N ATOM 691 CA TYR A 47 24.363 8.932 -13.450 1.00 0.00 C ATOM 692 C TYR A 47 25.425 8.133 -14.197 1.00 0.00 C ATOM 693 O TYR A 47 25.297 6.914 -14.331 1.00 0.00 O ATOM 694 CB TYR A 47 24.806 9.061 -11.980 1.00 0.00 C ATOM 695 CG TYR A 47 23.733 9.394 -10.956 1.00 0.00 C ATOM 696 CD1 TYR A 47 22.942 8.353 -10.435 1.00 0.00 C ATOM 697 CD2 TYR A 47 23.565 10.708 -10.477 1.00 0.00 C ATOM 698 CE1 TYR A 47 22.016 8.605 -9.409 1.00 0.00 C ATOM 699 CE2 TYR A 47 22.643 10.967 -9.445 1.00 0.00 C ATOM 700 CZ TYR A 47 21.882 9.911 -8.889 1.00 0.00 C ATOM 701 OH TYR A 47 21.061 10.114 -7.826 1.00 0.00 O ATOM 0 H TYR A 47 23.182 7.232 -13.734 1.00 0.00 H new ATOM 0 HA TYR A 47 24.244 9.928 -13.878 1.00 0.00 H new ATOM 0 HB2 TYR A 47 25.274 8.122 -11.685 1.00 0.00 H new ATOM 0 HB3 TYR A 47 25.575 9.831 -11.926 1.00 0.00 H new ATOM 0 HD1 TYR A 47 23.048 7.352 -10.827 1.00 0.00 H new ATOM 0 HD2 TYR A 47 24.143 11.516 -10.901 1.00 0.00 H new ATOM 0 HE1 TYR A 47 21.408 7.802 -9.019 1.00 0.00 H new ATOM 0 HE2 TYR A 47 22.516 11.974 -9.077 1.00 0.00 H new ATOM 0 HH TYR A 47 21.301 10.955 -7.383 1.00 0.00 H new ATOM 711 N LYS A 48 26.506 8.792 -14.633 1.00 0.00 N ATOM 712 CA LYS A 48 27.577 8.126 -15.379 1.00 0.00 C ATOM 713 C LYS A 48 28.242 7.014 -14.568 1.00 0.00 C ATOM 714 O LYS A 48 28.660 6.020 -15.159 1.00 0.00 O ATOM 715 CB LYS A 48 28.639 9.134 -15.852 1.00 0.00 C ATOM 716 CG LYS A 48 28.079 10.150 -16.861 1.00 0.00 C ATOM 717 CD LYS A 48 29.175 11.010 -17.514 1.00 0.00 C ATOM 718 CE LYS A 48 30.017 10.224 -18.534 1.00 0.00 C ATOM 719 NZ LYS A 48 29.293 9.966 -19.806 1.00 0.00 N ATOM 0 H LYS A 48 26.661 9.789 -14.481 1.00 0.00 H new ATOM 0 HA LYS A 48 27.107 7.671 -16.251 1.00 0.00 H new ATOM 0 HB2 LYS A 48 29.039 9.667 -14.989 1.00 0.00 H new ATOM 0 HB3 LYS A 48 29.470 8.595 -16.307 1.00 0.00 H new ATOM 0 HG2 LYS A 48 27.530 9.618 -17.638 1.00 0.00 H new ATOM 0 HG3 LYS A 48 27.366 10.801 -16.356 1.00 0.00 H new ATOM 0 HD2 LYS A 48 28.714 11.864 -18.011 1.00 0.00 H new ATOM 0 HD3 LYS A 48 29.829 11.408 -16.738 1.00 0.00 H new ATOM 0 HE2 LYS A 48 30.930 10.779 -18.748 1.00 0.00 H new ATOM 0 HE3 LYS A 48 30.317 9.273 -18.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 29.620 9.067 -20.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 28.271 9.910 -19.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 29.481 10.740 -20.475 1.00 0.00 H new ATOM 733 N TRP A 49 28.345 7.156 -13.239 1.00 0.00 N ATOM 734 CA TRP A 49 28.984 6.142 -12.406 1.00 0.00 C ATOM 735 C TRP A 49 28.217 4.814 -12.423 1.00 0.00 C ATOM 736 O TRP A 49 28.845 3.761 -12.294 1.00 0.00 O ATOM 737 CB TRP A 49 29.246 6.662 -10.981 1.00 0.00 C ATOM 738 CG TRP A 49 28.150 7.395 -10.257 1.00 0.00 C ATOM 739 CD1 TRP A 49 28.136 8.726 -10.018 1.00 0.00 C ATOM 740 CD2 TRP A 49 26.946 6.875 -9.608 1.00 0.00 C ATOM 741 NE1 TRP A 49 27.027 9.063 -9.270 1.00 0.00 N ATOM 742 CE2 TRP A 49 26.256 7.959 -8.984 1.00 0.00 C ATOM 743 CE3 TRP A 49 26.362 5.599 -9.473 1.00 0.00 C ATOM 744 CZ2 TRP A 49 25.049 7.784 -8.287 1.00 0.00 C ATOM 745 CZ3 TRP A 49 25.123 5.421 -8.830 1.00 0.00 C ATOM 746 CH2 TRP A 49 24.455 6.511 -8.249 1.00 0.00 C ATOM 0 H TRP A 49 27.993 7.963 -12.724 1.00 0.00 H new ATOM 0 HA TRP A 49 29.960 5.930 -12.843 1.00 0.00 H new ATOM 0 HB2 TRP A 49 29.532 5.808 -10.367 1.00 0.00 H new ATOM 0 HB3 TRP A 49 30.110 7.325 -11.027 1.00 0.00 H new ATOM 0 HD1 TRP A 49 28.885 9.424 -10.363 1.00 0.00 H new ATOM 0 HE1 TRP A 49 26.806 10.011 -8.967 1.00 0.00 H new ATOM 0 HE3 TRP A 49 26.877 4.738 -9.872 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 24.582 8.619 -7.786 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 24.682 4.436 -8.783 1.00 0.00 H new ATOM 0 HH2 TRP A 49 23.493 6.372 -7.777 1.00 0.00 H new ATOM 757 N ALA A 50 26.893 4.826 -12.628 1.00 0.00 N ATOM 758 CA ALA A 50 26.120 3.609 -12.809 1.00 0.00 C ATOM 759 C ALA A 50 26.152 3.224 -14.285 1.00 0.00 C ATOM 760 O ALA A 50 25.192 3.438 -15.026 1.00 0.00 O ATOM 761 CB ALA A 50 24.700 3.765 -12.277 1.00 0.00 C ATOM 0 H ALA A 50 26.338 5.680 -12.671 1.00 0.00 H new ATOM 0 HA ALA A 50 26.565 2.801 -12.229 1.00 0.00 H new ATOM 0 HB1 ALA A 50 24.150 2.836 -12.429 1.00 0.00 H new ATOM 0 HB2 ALA A 50 24.734 3.997 -11.212 1.00 0.00 H new ATOM 0 HB3 ALA A 50 24.199 4.574 -12.809 1.00 0.00 H new ATOM 767 N GLU A 51 27.269 2.639 -14.718 1.00 0.00 N ATOM 768 CA GLU A 51 27.402 2.097 -16.068 1.00 0.00 C ATOM 769 C GLU A 51 26.470 0.895 -16.310 1.00 0.00 C ATOM 770 O GLU A 51 26.383 0.414 -17.441 1.00 0.00 O ATOM 771 CB GLU A 51 28.866 1.703 -16.341 1.00 0.00 C ATOM 772 CG GLU A 51 29.803 2.902 -16.554 1.00 0.00 C ATOM 773 CD GLU A 51 29.573 3.678 -17.872 1.00 0.00 C ATOM 774 OE1 GLU A 51 28.579 3.429 -18.595 1.00 0.00 O ATOM 775 OE2 GLU A 51 30.422 4.535 -18.212 1.00 0.00 O ATOM 0 H GLU A 51 28.104 2.528 -14.143 1.00 0.00 H new ATOM 0 HA GLU A 51 27.102 2.881 -16.763 1.00 0.00 H new ATOM 0 HB2 GLU A 51 29.235 1.110 -15.504 1.00 0.00 H new ATOM 0 HB3 GLU A 51 28.902 1.065 -17.224 1.00 0.00 H new ATOM 0 HG2 GLU A 51 29.685 3.591 -15.718 1.00 0.00 H new ATOM 0 HG3 GLU A 51 30.834 2.548 -16.532 1.00 0.00 H new ATOM 782 N TYR A 52 25.766 0.411 -15.282 1.00 0.00 N ATOM 783 CA TYR A 52 24.768 -0.644 -15.359 1.00 0.00 C ATOM 784 C TYR A 52 23.626 -0.268 -14.415 1.00 0.00 C ATOM 785 O TYR A 52 23.862 0.227 -13.312 1.00 0.00 O ATOM 786 CB TYR A 52 25.359 -2.026 -15.022 1.00 0.00 C ATOM 787 CG TYR A 52 26.513 -2.051 -14.034 1.00 0.00 C ATOM 788 CD1 TYR A 52 27.801 -1.698 -14.476 1.00 0.00 C ATOM 789 CD2 TYR A 52 26.313 -2.443 -12.699 1.00 0.00 C ATOM 790 CE1 TYR A 52 28.888 -1.717 -13.585 1.00 0.00 C ATOM 791 CE2 TYR A 52 27.396 -2.475 -11.801 1.00 0.00 C ATOM 792 CZ TYR A 52 28.689 -2.106 -12.240 1.00 0.00 C ATOM 793 OH TYR A 52 29.749 -2.125 -11.383 1.00 0.00 O ATOM 0 H TYR A 52 25.887 0.765 -14.333 1.00 0.00 H new ATOM 0 HA TYR A 52 24.397 -0.729 -16.380 1.00 0.00 H new ATOM 0 HB2 TYR A 52 24.559 -2.651 -14.626 1.00 0.00 H new ATOM 0 HB3 TYR A 52 25.695 -2.488 -15.950 1.00 0.00 H new ATOM 0 HD1 TYR A 52 27.956 -1.411 -15.506 1.00 0.00 H new ATOM 0 HD2 TYR A 52 25.325 -2.720 -12.361 1.00 0.00 H new ATOM 0 HE1 TYR A 52 29.873 -1.435 -13.927 1.00 0.00 H new ATOM 0 HE2 TYR A 52 27.240 -2.781 -10.777 1.00 0.00 H new ATOM 0 HH TYR A 52 29.448 -2.413 -10.496 1.00 0.00 H new ATOM 803 N HIS A 53 22.389 -0.520 -14.847 1.00 0.00 N ATOM 804 CA HIS A 53 21.168 -0.111 -14.147 1.00 0.00 C ATOM 805 C HIS A 53 21.068 -0.745 -12.756 1.00 0.00 C ATOM 806 O HIS A 53 20.499 -0.150 -11.840 1.00 0.00 O ATOM 807 CB HIS A 53 19.926 -0.477 -14.981 1.00 0.00 C ATOM 808 CG HIS A 53 20.058 -0.164 -16.453 1.00 0.00 C ATOM 809 ND1 HIS A 53 19.714 1.007 -17.093 1.00 0.00 N ATOM 810 CD2 HIS A 53 20.601 -0.997 -17.396 1.00 0.00 C ATOM 811 CE1 HIS A 53 20.073 0.883 -18.385 1.00 0.00 C ATOM 812 NE2 HIS A 53 20.623 -0.323 -18.620 1.00 0.00 N ATOM 0 H HIS A 53 22.203 -1.026 -15.713 1.00 0.00 H new ATOM 0 HA HIS A 53 21.213 0.970 -14.018 1.00 0.00 H new ATOM 0 HB2 HIS A 53 19.723 -1.542 -14.864 1.00 0.00 H new ATOM 0 HB3 HIS A 53 19.064 0.057 -14.583 1.00 0.00 H new ATOM 0 HD1 HIS A 53 19.269 1.819 -16.666 1.00 0.00 H new ATOM 0 HD2 HIS A 53 20.952 -2.003 -17.223 1.00 0.00 H new ATOM 0 HE1 HIS A 53 19.938 1.650 -19.134 1.00 0.00 H new ATOM 820 N ALA A 54 21.638 -1.942 -12.575 1.00 0.00 N ATOM 821 CA ALA A 54 21.672 -2.608 -11.281 1.00 0.00 C ATOM 822 C ALA A 54 22.421 -1.778 -10.235 1.00 0.00 C ATOM 823 O ALA A 54 22.071 -1.847 -9.058 1.00 0.00 O ATOM 824 CB ALA A 54 22.294 -4.001 -11.427 1.00 0.00 C ATOM 0 H ALA A 54 22.086 -2.470 -13.324 1.00 0.00 H new ATOM 0 HA ALA A 54 20.647 -2.715 -10.927 1.00 0.00 H new ATOM 0 HB1 ALA A 54 22.316 -4.493 -10.455 1.00 0.00 H new ATOM 0 HB2 ALA A 54 21.699 -4.594 -12.121 1.00 0.00 H new ATOM 0 HB3 ALA A 54 23.310 -3.907 -11.809 1.00 0.00 H new ATOM 830 N ASP A 55 23.420 -0.981 -10.641 1.00 0.00 N ATOM 831 CA ASP A 55 24.198 -0.186 -9.695 1.00 0.00 C ATOM 832 C ASP A 55 23.329 0.899 -9.063 1.00 0.00 C ATOM 833 O ASP A 55 23.316 1.047 -7.841 1.00 0.00 O ATOM 834 CB ASP A 55 25.406 0.470 -10.370 1.00 0.00 C ATOM 835 CG ASP A 55 26.382 0.991 -9.306 1.00 0.00 C ATOM 836 OD1 ASP A 55 27.063 0.167 -8.653 1.00 0.00 O ATOM 837 OD2 ASP A 55 26.487 2.222 -9.132 1.00 0.00 O ATOM 0 H ASP A 55 23.703 -0.874 -11.615 1.00 0.00 H new ATOM 0 HA ASP A 55 24.556 -0.866 -8.923 1.00 0.00 H new ATOM 0 HB2 ASP A 55 25.909 -0.251 -11.015 1.00 0.00 H new ATOM 0 HB3 ASP A 55 25.076 1.291 -11.006 1.00 0.00 H new ATOM 842 N ILE A 56 22.554 1.619 -9.888 1.00 0.00 N ATOM 843 CA ILE A 56 21.609 2.613 -9.397 1.00 0.00 C ATOM 844 C ILE A 56 20.467 1.930 -8.655 1.00 0.00 C ATOM 845 O ILE A 56 20.097 2.440 -7.608 1.00 0.00 O ATOM 846 CB ILE A 56 21.066 3.591 -10.474 1.00 0.00 C ATOM 847 CG1 ILE A 56 21.062 3.053 -11.927 1.00 0.00 C ATOM 848 CG2 ILE A 56 21.754 4.954 -10.299 1.00 0.00 C ATOM 849 CD1 ILE A 56 20.867 4.104 -13.018 1.00 0.00 C ATOM 0 H ILE A 56 22.569 1.525 -10.904 1.00 0.00 H new ATOM 0 HA ILE A 56 22.176 3.244 -8.712 1.00 0.00 H new ATOM 0 HB ILE A 56 19.997 3.712 -10.299 1.00 0.00 H new ATOM 0 HG12 ILE A 56 22.006 2.538 -12.108 1.00 0.00 H new ATOM 0 HG13 ILE A 56 20.270 2.309 -12.018 1.00 0.00 H new ATOM 0 HG21 ILE A 56 21.380 5.649 -11.051 1.00 0.00 H new ATOM 0 HG22 ILE A 56 21.539 5.345 -9.304 1.00 0.00 H new ATOM 0 HG23 ILE A 56 22.831 4.836 -10.418 1.00 0.00 H new ATOM 0 HD11 ILE A 56 20.880 3.621 -13.995 1.00 0.00 H new ATOM 0 HD12 ILE A 56 19.910 4.605 -12.874 1.00 0.00 H new ATOM 0 HD13 ILE A 56 21.672 4.837 -12.965 1.00 0.00 H new ATOM 861 N TYR A 57 19.921 0.798 -9.120 1.00 0.00 N ATOM 862 CA TYR A 57 18.841 0.156 -8.373 1.00 0.00 C ATOM 863 C TYR A 57 19.311 -0.188 -6.955 1.00 0.00 C ATOM 864 O TYR A 57 18.599 0.112 -5.998 1.00 0.00 O ATOM 865 CB TYR A 57 18.295 -1.086 -9.092 1.00 0.00 C ATOM 866 CG TYR A 57 17.265 -1.840 -8.261 1.00 0.00 C ATOM 867 CD1 TYR A 57 16.119 -1.175 -7.772 1.00 0.00 C ATOM 868 CD2 TYR A 57 17.490 -3.183 -7.904 1.00 0.00 C ATOM 869 CE1 TYR A 57 15.221 -1.838 -6.916 1.00 0.00 C ATOM 870 CE2 TYR A 57 16.587 -3.857 -7.062 1.00 0.00 C ATOM 871 CZ TYR A 57 15.455 -3.184 -6.550 1.00 0.00 C ATOM 872 OH TYR A 57 14.615 -3.844 -5.703 1.00 0.00 O ATOM 0 H TYR A 57 20.199 0.324 -9.979 1.00 0.00 H new ATOM 0 HA TYR A 57 18.017 0.866 -8.308 1.00 0.00 H new ATOM 0 HB2 TYR A 57 17.843 -0.785 -10.037 1.00 0.00 H new ATOM 0 HB3 TYR A 57 19.122 -1.754 -9.333 1.00 0.00 H new ATOM 0 HD1 TYR A 57 15.931 -0.150 -8.057 1.00 0.00 H new ATOM 0 HD2 TYR A 57 18.361 -3.699 -8.279 1.00 0.00 H new ATOM 0 HE1 TYR A 57 14.353 -1.319 -6.538 1.00 0.00 H new ATOM 0 HE2 TYR A 57 16.759 -4.892 -6.806 1.00 0.00 H new ATOM 0 HH TYR A 57 13.916 -3.231 -5.392 1.00 0.00 H new ATOM 882 N ASP A 58 20.514 -0.748 -6.797 1.00 0.00 N ATOM 883 CA ASP A 58 21.054 -1.086 -5.484 1.00 0.00 C ATOM 884 C ASP A 58 21.302 0.166 -4.639 1.00 0.00 C ATOM 885 O ASP A 58 20.824 0.247 -3.506 1.00 0.00 O ATOM 886 CB ASP A 58 22.350 -1.889 -5.625 1.00 0.00 C ATOM 887 CG ASP A 58 22.943 -2.195 -4.240 1.00 0.00 C ATOM 888 OD1 ASP A 58 22.419 -3.089 -3.541 1.00 0.00 O ATOM 889 OD2 ASP A 58 23.949 -1.561 -3.853 1.00 0.00 O ATOM 0 H ASP A 58 21.135 -0.977 -7.573 1.00 0.00 H new ATOM 0 HA ASP A 58 20.311 -1.697 -4.972 1.00 0.00 H new ATOM 0 HB2 ASP A 58 22.153 -2.820 -6.157 1.00 0.00 H new ATOM 0 HB3 ASP A 58 23.070 -1.328 -6.220 1.00 0.00 H new ATOM 894 N LYS A 59 22.005 1.164 -5.186 1.00 0.00 N ATOM 895 CA LYS A 59 22.335 2.395 -4.465 1.00 0.00 C ATOM 896 C LYS A 59 21.072 3.137 -4.039 1.00 0.00 C ATOM 897 O LYS A 59 20.961 3.564 -2.889 1.00 0.00 O ATOM 898 CB LYS A 59 23.243 3.264 -5.346 1.00 0.00 C ATOM 899 CG LYS A 59 23.483 4.672 -4.770 1.00 0.00 C ATOM 900 CD LYS A 59 24.910 5.137 -5.079 1.00 0.00 C ATOM 901 CE LYS A 59 25.092 6.623 -4.741 1.00 0.00 C ATOM 902 NZ LYS A 59 26.439 7.117 -5.119 1.00 0.00 N ATOM 0 H LYS A 59 22.361 1.139 -6.142 1.00 0.00 H new ATOM 0 HA LYS A 59 22.872 2.148 -3.549 1.00 0.00 H new ATOM 0 HB2 LYS A 59 24.202 2.762 -5.473 1.00 0.00 H new ATOM 0 HB3 LYS A 59 22.797 3.355 -6.337 1.00 0.00 H new ATOM 0 HG2 LYS A 59 22.765 5.373 -5.195 1.00 0.00 H new ATOM 0 HG3 LYS A 59 23.321 4.664 -3.692 1.00 0.00 H new ATOM 0 HD2 LYS A 59 25.622 4.541 -4.508 1.00 0.00 H new ATOM 0 HD3 LYS A 59 25.130 4.971 -6.134 1.00 0.00 H new ATOM 0 HE2 LYS A 59 24.332 7.208 -5.259 1.00 0.00 H new ATOM 0 HE3 LYS A 59 24.937 6.774 -3.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 26.707 7.906 -4.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 27.131 6.347 -5.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 26.424 7.445 -6.106 1.00 0.00 H new ATOM 916 N VAL A 60 20.116 3.286 -4.947 1.00 0.00 N ATOM 917 CA VAL A 60 18.896 4.026 -4.691 1.00 0.00 C ATOM 918 C VAL A 60 18.009 3.227 -3.738 1.00 0.00 C ATOM 919 O VAL A 60 17.422 3.831 -2.847 1.00 0.00 O ATOM 920 CB VAL A 60 18.219 4.404 -6.017 1.00 0.00 C ATOM 921 CG1 VAL A 60 16.919 5.177 -5.758 1.00 0.00 C ATOM 922 CG2 VAL A 60 19.155 5.293 -6.861 1.00 0.00 C ATOM 0 H VAL A 60 20.170 2.893 -5.887 1.00 0.00 H new ATOM 0 HA VAL A 60 19.112 4.971 -4.192 1.00 0.00 H new ATOM 0 HB VAL A 60 17.997 3.481 -6.553 1.00 0.00 H new ATOM 0 HG11 VAL A 60 16.454 5.436 -6.709 1.00 0.00 H new ATOM 0 HG12 VAL A 60 16.236 4.557 -5.177 1.00 0.00 H new ATOM 0 HG13 VAL A 60 17.142 6.088 -5.203 1.00 0.00 H new ATOM 0 HG21 VAL A 60 18.662 5.553 -7.798 1.00 0.00 H new ATOM 0 HG22 VAL A 60 19.388 6.203 -6.309 1.00 0.00 H new ATOM 0 HG23 VAL A 60 20.077 4.752 -7.074 1.00 0.00 H new ATOM 932 N SER A 61 17.959 1.894 -3.823 1.00 0.00 N ATOM 933 CA SER A 61 17.288 1.107 -2.794 1.00 0.00 C ATOM 934 C SER A 61 17.967 1.293 -1.433 1.00 0.00 C ATOM 935 O SER A 61 17.286 1.206 -0.414 1.00 0.00 O ATOM 936 CB SER A 61 17.226 -0.372 -3.180 1.00 0.00 C ATOM 937 OG SER A 61 16.543 -0.519 -4.405 1.00 0.00 O ATOM 0 H SER A 61 18.369 1.348 -4.581 1.00 0.00 H new ATOM 0 HA SER A 61 16.264 1.470 -2.712 1.00 0.00 H new ATOM 0 HB2 SER A 61 18.234 -0.778 -3.265 1.00 0.00 H new ATOM 0 HB3 SER A 61 16.719 -0.940 -2.400 1.00 0.00 H new ATOM 0 HG SER A 61 17.165 -0.367 -5.147 1.00 0.00 H new ATOM 943 N GLY A 62 19.272 1.573 -1.386 1.00 0.00 N ATOM 944 CA GLY A 62 19.975 1.935 -0.164 1.00 0.00 C ATOM 945 C GLY A 62 19.463 3.264 0.387 1.00 0.00 C ATOM 946 O GLY A 62 19.051 3.316 1.542 1.00 0.00 O ATOM 0 H GLY A 62 19.873 1.553 -2.210 1.00 0.00 H new ATOM 0 HA2 GLY A 62 19.842 1.152 0.582 1.00 0.00 H new ATOM 0 HA3 GLY A 62 21.044 2.007 -0.363 1.00 0.00 H new ATOM 950 N ASP A 63 19.421 4.317 -0.438 1.00 0.00 N ATOM 951 CA ASP A 63 18.874 5.636 -0.084 1.00 0.00 C ATOM 952 C ASP A 63 17.430 5.503 0.399 1.00 0.00 C ATOM 953 O ASP A 63 17.087 5.989 1.475 1.00 0.00 O ATOM 954 CB ASP A 63 18.996 6.568 -1.308 1.00 0.00 C ATOM 955 CG ASP A 63 18.288 7.932 -1.221 1.00 0.00 C ATOM 956 OD1 ASP A 63 18.209 8.525 -0.123 1.00 0.00 O ATOM 957 OD2 ASP A 63 17.878 8.440 -2.294 1.00 0.00 O ATOM 0 H ASP A 63 19.775 4.276 -1.394 1.00 0.00 H new ATOM 0 HA ASP A 63 19.440 6.071 0.739 1.00 0.00 H new ATOM 0 HB2 ASP A 63 20.055 6.747 -1.493 1.00 0.00 H new ATOM 0 HB3 ASP A 63 18.606 6.039 -2.177 1.00 0.00 H new ATOM 962 N MET A 64 16.590 4.766 -0.325 1.00 0.00 N ATOM 963 CA MET A 64 15.202 4.570 0.066 1.00 0.00 C ATOM 964 C MET A 64 15.070 3.785 1.368 1.00 0.00 C ATOM 965 O MET A 64 14.276 4.168 2.223 1.00 0.00 O ATOM 966 CB MET A 64 14.439 3.883 -1.063 1.00 0.00 C ATOM 967 CG MET A 64 14.306 4.754 -2.323 1.00 0.00 C ATOM 968 SD MET A 64 13.527 6.370 -2.061 1.00 0.00 S ATOM 969 CE MET A 64 15.016 7.391 -1.924 1.00 0.00 C ATOM 0 H MET A 64 16.852 4.294 -1.190 1.00 0.00 H new ATOM 0 HA MET A 64 14.767 5.552 0.250 1.00 0.00 H new ATOM 0 HB2 MET A 64 14.947 2.954 -1.323 1.00 0.00 H new ATOM 0 HB3 MET A 64 13.444 3.614 -0.709 1.00 0.00 H new ATOM 0 HG2 MET A 64 15.299 4.911 -2.744 1.00 0.00 H new ATOM 0 HG3 MET A 64 13.727 4.205 -3.066 1.00 0.00 H new ATOM 0 HE1 MET A 64 15.149 7.704 -0.888 1.00 0.00 H new ATOM 0 HE2 MET A 64 15.884 6.813 -2.242 1.00 0.00 H new ATOM 0 HE3 MET A 64 14.913 8.271 -2.559 1.00 0.00 H new ATOM 979 N GLN A 65 15.845 2.726 1.587 1.00 0.00 N ATOM 980 CA GLN A 65 15.808 1.989 2.844 1.00 0.00 C ATOM 981 C GLN A 65 16.389 2.817 3.998 1.00 0.00 C ATOM 982 O GLN A 65 15.950 2.666 5.136 1.00 0.00 O ATOM 983 CB GLN A 65 16.576 0.674 2.674 1.00 0.00 C ATOM 984 CG GLN A 65 15.738 -0.401 1.970 1.00 0.00 C ATOM 985 CD GLN A 65 16.583 -1.622 1.610 1.00 0.00 C ATOM 986 OE1 GLN A 65 16.468 -2.688 2.211 1.00 0.00 O ATOM 987 NE2 GLN A 65 17.457 -1.485 0.627 1.00 0.00 N ATOM 0 H GLN A 65 16.509 2.359 0.905 1.00 0.00 H new ATOM 0 HA GLN A 65 14.770 1.775 3.098 1.00 0.00 H new ATOM 0 HB2 GLN A 65 17.484 0.858 2.100 1.00 0.00 H new ATOM 0 HB3 GLN A 65 16.886 0.307 3.653 1.00 0.00 H new ATOM 0 HG2 GLN A 65 14.915 -0.704 2.617 1.00 0.00 H new ATOM 0 HG3 GLN A 65 15.295 0.016 1.066 1.00 0.00 H new ATOM 0 HE21 GLN A 65 17.540 -0.593 0.139 1.00 0.00 H new ATOM 0 HE22 GLN A 65 18.048 -2.271 0.357 1.00 0.00 H new ATOM 996 N LYS A 66 17.328 3.728 3.721 1.00 0.00 N ATOM 997 CA LYS A 66 17.812 4.723 4.676 1.00 0.00 C ATOM 998 C LYS A 66 16.678 5.675 5.062 1.00 0.00 C ATOM 999 O LYS A 66 16.657 6.130 6.205 1.00 0.00 O ATOM 1000 CB LYS A 66 19.079 5.384 4.092 1.00 0.00 C ATOM 1001 CG LYS A 66 19.622 6.655 4.770 1.00 0.00 C ATOM 1002 CD LYS A 66 18.949 7.981 4.368 1.00 0.00 C ATOM 1003 CE LYS A 66 19.078 8.236 2.862 1.00 0.00 C ATOM 1004 NZ LYS A 66 18.460 9.507 2.429 1.00 0.00 N ATOM 0 H LYS A 66 17.780 3.793 2.809 1.00 0.00 H new ATOM 0 HA LYS A 66 18.117 4.275 5.621 1.00 0.00 H new ATOM 0 HB2 LYS A 66 19.875 4.639 4.098 1.00 0.00 H new ATOM 0 HB3 LYS A 66 18.876 5.625 3.049 1.00 0.00 H new ATOM 0 HG2 LYS A 66 19.526 6.535 5.849 1.00 0.00 H new ATOM 0 HG3 LYS A 66 20.687 6.731 4.552 1.00 0.00 H new ATOM 0 HD2 LYS A 66 17.895 7.956 4.646 1.00 0.00 H new ATOM 0 HD3 LYS A 66 19.404 8.804 4.919 1.00 0.00 H new ATOM 0 HE2 LYS A 66 20.134 8.242 2.591 1.00 0.00 H new ATOM 0 HE3 LYS A 66 18.615 7.412 2.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 18.337 9.499 1.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 17.533 9.616 2.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 19.075 10.301 2.698 1.00 0.00 H new ATOM 1018 N GLN A 67 15.722 5.968 4.171 1.00 0.00 N ATOM 1019 CA GLN A 67 14.498 6.680 4.553 1.00 0.00 C ATOM 1020 C GLN A 67 13.632 5.733 5.400 1.00 0.00 C ATOM 1021 O GLN A 67 13.140 6.105 6.467 1.00 0.00 O ATOM 1022 CB GLN A 67 13.720 7.193 3.324 1.00 0.00 C ATOM 1023 CG GLN A 67 14.535 8.144 2.430 1.00 0.00 C ATOM 1024 CD GLN A 67 14.745 9.520 3.054 1.00 0.00 C ATOM 1025 OE1 GLN A 67 15.846 9.852 3.484 1.00 0.00 O ATOM 1026 NE2 GLN A 67 13.711 10.344 3.114 1.00 0.00 N ATOM 0 H GLN A 67 15.773 5.723 3.182 1.00 0.00 H new ATOM 0 HA GLN A 67 14.766 7.562 5.134 1.00 0.00 H new ATOM 0 HB2 GLN A 67 13.394 6.340 2.729 1.00 0.00 H new ATOM 0 HB3 GLN A 67 12.821 7.708 3.663 1.00 0.00 H new ATOM 0 HG2 GLN A 67 15.506 7.694 2.222 1.00 0.00 H new ATOM 0 HG3 GLN A 67 14.025 8.260 1.473 1.00 0.00 H new ATOM 0 HE21 GLN A 67 12.804 10.051 2.752 1.00 0.00 H new ATOM 0 HE22 GLN A 67 13.821 11.272 3.523 1.00 0.00 H new ATOM 1035 N GLY A 68 13.486 4.490 4.938 1.00 0.00 N ATOM 1036 CA GLY A 68 12.787 3.377 5.588 1.00 0.00 C ATOM 1037 C GLY A 68 12.001 2.512 4.589 1.00 0.00 C ATOM 1038 O GLY A 68 11.445 1.480 4.965 1.00 0.00 O ATOM 0 H GLY A 68 13.880 4.214 4.038 1.00 0.00 H new ATOM 0 HA2 GLY A 68 13.511 2.754 6.112 1.00 0.00 H new ATOM 0 HA3 GLY A 68 12.103 3.771 6.339 1.00 0.00 H new ATOM 1042 N CYS A 69 11.934 2.943 3.326 1.00 0.00 N ATOM 1043 CA CYS A 69 11.082 2.401 2.278 1.00 0.00 C ATOM 1044 C CYS A 69 11.541 1.024 1.786 1.00 0.00 C ATOM 1045 O CYS A 69 12.643 0.566 2.085 1.00 0.00 O ATOM 1046 CB CYS A 69 11.090 3.402 1.120 1.00 0.00 C ATOM 1047 SG CYS A 69 10.182 4.900 1.587 1.00 0.00 S ATOM 0 H CYS A 69 12.505 3.721 2.996 1.00 0.00 H new ATOM 0 HA CYS A 69 10.079 2.257 2.681 1.00 0.00 H new ATOM 0 HB2 CYS A 69 12.116 3.657 0.856 1.00 0.00 H new ATOM 0 HB3 CYS A 69 10.636 2.952 0.237 1.00 0.00 H new ATOM 0 HG CYS A 69 8.909 4.709 1.408 1.00 0.00 H new ATOM 1053 N ASP A 70 10.696 0.410 0.959 1.00 0.00 N ATOM 1054 CA ASP A 70 10.975 -0.795 0.177 1.00 0.00 C ATOM 1055 C ASP A 70 10.700 -0.408 -1.276 1.00 0.00 C ATOM 1056 O ASP A 70 9.851 0.463 -1.516 1.00 0.00 O ATOM 1057 CB ASP A 70 10.098 -1.962 0.638 1.00 0.00 C ATOM 1058 CG ASP A 70 10.320 -3.207 -0.238 1.00 0.00 C ATOM 1059 OD1 ASP A 70 11.488 -3.605 -0.444 1.00 0.00 O ATOM 1060 OD2 ASP A 70 9.325 -3.803 -0.705 1.00 0.00 O ATOM 0 H ASP A 70 9.749 0.757 0.808 1.00 0.00 H new ATOM 0 HA ASP A 70 12.002 -1.137 0.302 1.00 0.00 H new ATOM 0 HB2 ASP A 70 10.323 -2.201 1.677 1.00 0.00 H new ATOM 0 HB3 ASP A 70 9.049 -1.669 0.599 1.00 0.00 H new ATOM 1065 N CYS A 71 11.426 -0.987 -2.239 1.00 0.00 N ATOM 1066 CA CYS A 71 11.416 -0.512 -3.622 1.00 0.00 C ATOM 1067 C CYS A 71 11.619 -1.615 -4.659 1.00 0.00 C ATOM 1068 O CYS A 71 12.102 -2.702 -4.338 1.00 0.00 O ATOM 1069 CB CYS A 71 12.557 0.498 -3.803 1.00 0.00 C ATOM 1070 SG CYS A 71 12.468 1.819 -2.575 1.00 0.00 S ATOM 0 H CYS A 71 12.032 -1.792 -2.081 1.00 0.00 H new ATOM 0 HA CYS A 71 10.430 -0.078 -3.788 1.00 0.00 H new ATOM 0 HB2 CYS A 71 13.515 -0.015 -3.720 1.00 0.00 H new ATOM 0 HB3 CYS A 71 12.511 0.926 -4.804 1.00 0.00 H new ATOM 0 HG CYS A 71 13.148 1.478 -1.521 1.00 0.00 H new ATOM 1076 N GLU A 72 11.326 -1.300 -5.925 1.00 0.00 N ATOM 1077 CA GLU A 72 11.476 -2.198 -7.059 1.00 0.00 C ATOM 1078 C GLU A 72 11.744 -1.348 -8.303 1.00 0.00 C ATOM 1079 O GLU A 72 11.014 -0.392 -8.562 1.00 0.00 O ATOM 1080 CB GLU A 72 10.183 -3.019 -7.197 1.00 0.00 C ATOM 1081 CG GLU A 72 10.199 -3.895 -8.451 1.00 0.00 C ATOM 1082 CD GLU A 72 9.035 -4.901 -8.461 1.00 0.00 C ATOM 1083 OE1 GLU A 72 7.917 -4.548 -8.901 1.00 0.00 O ATOM 1084 OE2 GLU A 72 9.230 -6.067 -8.047 1.00 0.00 O ATOM 0 H GLU A 72 10.967 -0.383 -6.190 1.00 0.00 H new ATOM 0 HA GLU A 72 12.308 -2.890 -6.926 1.00 0.00 H new ATOM 0 HB2 GLU A 72 10.056 -3.648 -6.316 1.00 0.00 H new ATOM 0 HB3 GLU A 72 9.327 -2.346 -7.235 1.00 0.00 H new ATOM 0 HG2 GLU A 72 10.140 -3.263 -9.337 1.00 0.00 H new ATOM 0 HG3 GLU A 72 11.145 -4.433 -8.506 1.00 0.00 H new ATOM 1091 N CYS A 73 12.785 -1.674 -9.072 1.00 0.00 N ATOM 1092 CA CYS A 73 13.020 -1.093 -10.387 1.00 0.00 C ATOM 1093 C CYS A 73 11.890 -1.565 -11.313 1.00 0.00 C ATOM 1094 O CYS A 73 11.768 -2.758 -11.600 1.00 0.00 O ATOM 1095 CB CYS A 73 14.416 -1.485 -10.914 1.00 0.00 C ATOM 1096 SG CYS A 73 14.820 -3.217 -10.515 1.00 0.00 S ATOM 0 H CYS A 73 13.492 -2.355 -8.793 1.00 0.00 H new ATOM 0 HA CYS A 73 13.011 -0.004 -10.339 1.00 0.00 H new ATOM 0 HB2 CYS A 73 14.452 -1.342 -11.994 1.00 0.00 H new ATOM 0 HB3 CYS A 73 15.168 -0.826 -10.480 1.00 0.00 H new ATOM 0 HG CYS A 73 15.647 -3.685 -11.402 1.00 0.00 H new ATOM 1102 N LEU A 74 11.050 -0.636 -11.777 1.00 0.00 N ATOM 1103 CA LEU A 74 10.016 -0.934 -12.766 1.00 0.00 C ATOM 1104 C LEU A 74 10.655 -1.211 -14.130 1.00 0.00 C ATOM 1105 O LEU A 74 10.099 -1.960 -14.933 1.00 0.00 O ATOM 1106 CB LEU A 74 9.026 0.238 -12.880 1.00 0.00 C ATOM 1107 CG LEU A 74 8.213 0.543 -11.606 1.00 0.00 C ATOM 1108 CD1 LEU A 74 7.191 1.639 -11.920 1.00 0.00 C ATOM 1109 CD2 LEU A 74 7.474 -0.683 -11.053 1.00 0.00 C ATOM 0 H LEU A 74 11.069 0.339 -11.478 1.00 0.00 H new ATOM 0 HA LEU A 74 9.472 -1.821 -12.441 1.00 0.00 H new ATOM 0 HB2 LEU A 74 9.580 1.134 -13.160 1.00 0.00 H new ATOM 0 HB3 LEU A 74 8.331 0.026 -13.692 1.00 0.00 H new ATOM 0 HG LEU A 74 8.921 0.863 -10.842 1.00 0.00 H new ATOM 0 HD11 LEU A 74 6.610 1.862 -11.025 1.00 0.00 H new ATOM 0 HD12 LEU A 74 7.712 2.539 -12.249 1.00 0.00 H new ATOM 0 HD13 LEU A 74 6.522 1.297 -12.710 1.00 0.00 H new ATOM 0 HD21 LEU A 74 6.921 -0.401 -10.157 1.00 0.00 H new ATOM 0 HD22 LEU A 74 6.780 -1.059 -11.804 1.00 0.00 H new ATOM 0 HD23 LEU A 74 8.196 -1.461 -10.804 1.00 0.00 H new ATOM 1121 N GLY A 75 11.822 -0.617 -14.388 1.00 0.00 N ATOM 1122 CA GLY A 75 12.609 -0.784 -15.594 1.00 0.00 C ATOM 1123 C GLY A 75 13.704 0.273 -15.598 1.00 0.00 C ATOM 1124 O GLY A 75 13.920 0.959 -14.594 1.00 0.00 O ATOM 0 H GLY A 75 12.258 0.023 -13.724 1.00 0.00 H new ATOM 0 HA2 GLY A 75 13.045 -1.783 -15.628 1.00 0.00 H new ATOM 0 HA3 GLY A 75 11.978 -0.681 -16.477 1.00 0.00 H new ATOM 1128 N GLY A 76 14.362 0.456 -16.736 1.00 0.00 N ATOM 1129 CA GLY A 76 15.299 1.551 -16.938 1.00 0.00 C ATOM 1130 C GLY A 76 15.544 1.762 -18.424 1.00 0.00 C ATOM 1131 O GLY A 76 14.815 1.220 -19.260 1.00 0.00 O ATOM 0 H GLY A 76 14.259 -0.154 -17.547 1.00 0.00 H new ATOM 0 HA2 GLY A 76 14.904 2.464 -16.493 1.00 0.00 H new ATOM 0 HA3 GLY A 76 16.240 1.332 -16.434 1.00 0.00 H new ATOM 1135 N GLY A 77 16.574 2.542 -18.738 1.00 0.00 N ATOM 1136 CA GLY A 77 16.896 2.967 -20.088 1.00 0.00 C ATOM 1137 C GLY A 77 18.145 3.838 -20.065 1.00 0.00 C ATOM 1138 O GLY A 77 18.902 3.828 -19.088 1.00 0.00 O ATOM 0 H GLY A 77 17.223 2.903 -18.039 1.00 0.00 H new ATOM 0 HA2 GLY A 77 17.058 2.097 -20.725 1.00 0.00 H new ATOM 0 HA3 GLY A 77 16.061 3.523 -20.514 1.00 0.00 H new ATOM 1142 N ARG A 78 18.358 4.613 -21.123 1.00 0.00 N ATOM 1143 CA ARG A 78 19.529 5.461 -21.306 1.00 0.00 C ATOM 1144 C ARG A 78 19.056 6.876 -21.609 1.00 0.00 C ATOM 1145 O ARG A 78 17.963 7.076 -22.147 1.00 0.00 O ATOM 1146 CB ARG A 78 20.407 4.848 -22.410 1.00 0.00 C ATOM 1147 CG ARG A 78 21.789 5.506 -22.555 1.00 0.00 C ATOM 1148 CD ARG A 78 22.645 4.690 -23.529 1.00 0.00 C ATOM 1149 NE ARG A 78 24.022 5.209 -23.629 1.00 0.00 N ATOM 1150 CZ ARG A 78 24.622 5.703 -24.724 1.00 0.00 C ATOM 1151 NH1 ARG A 78 23.949 5.908 -25.852 1.00 0.00 N ATOM 1152 NH2 ARG A 78 25.921 5.988 -24.682 1.00 0.00 N ATOM 0 H ARG A 78 17.700 4.670 -21.900 1.00 0.00 H new ATOM 0 HA ARG A 78 20.145 5.519 -20.409 1.00 0.00 H new ATOM 0 HB2 ARG A 78 20.542 3.786 -22.203 1.00 0.00 H new ATOM 0 HB3 ARG A 78 19.880 4.923 -23.361 1.00 0.00 H new ATOM 0 HG2 ARG A 78 21.680 6.528 -22.918 1.00 0.00 H new ATOM 0 HG3 ARG A 78 22.280 5.563 -21.583 1.00 0.00 H new ATOM 0 HD2 ARG A 78 22.673 3.650 -23.202 1.00 0.00 H new ATOM 0 HD3 ARG A 78 22.181 4.702 -24.515 1.00 0.00 H new ATOM 0 HE ARG A 78 24.578 5.191 -22.774 1.00 0.00 H new ATOM 0 HH11 ARG A 78 22.954 5.689 -25.899 1.00 0.00 H new ATOM 0 HH12 ARG A 78 24.428 6.284 -26.670 1.00 0.00 H new ATOM 0 HH21 ARG A 78 26.450 5.831 -23.824 1.00 0.00 H new ATOM 0 HH22 ARG A 78 26.388 6.364 -25.508 1.00 0.00 H new ATOM 1166 N ILE A 79 19.869 7.855 -21.231 1.00 0.00 N ATOM 1167 CA ILE A 79 19.541 9.267 -21.259 1.00 0.00 C ATOM 1168 C ILE A 79 20.732 9.963 -21.914 1.00 0.00 C ATOM 1169 O ILE A 79 21.879 9.660 -21.573 1.00 0.00 O ATOM 1170 CB ILE A 79 19.242 9.757 -19.820 1.00 0.00 C ATOM 1171 CG1 ILE A 79 17.956 9.067 -19.305 1.00 0.00 C ATOM 1172 CG2 ILE A 79 19.101 11.289 -19.778 1.00 0.00 C ATOM 1173 CD1 ILE A 79 17.338 9.640 -18.021 1.00 0.00 C ATOM 0 H ILE A 79 20.811 7.675 -20.884 1.00 0.00 H new ATOM 0 HA ILE A 79 18.642 9.490 -21.833 1.00 0.00 H new ATOM 0 HB ILE A 79 20.076 9.490 -19.170 1.00 0.00 H new ATOM 0 HG12 ILE A 79 17.205 9.112 -20.094 1.00 0.00 H new ATOM 0 HG13 ILE A 79 18.178 8.013 -19.136 1.00 0.00 H new ATOM 0 HG21 ILE A 79 18.891 11.607 -18.757 1.00 0.00 H new ATOM 0 HG22 ILE A 79 20.029 11.749 -20.118 1.00 0.00 H new ATOM 0 HG23 ILE A 79 18.283 11.597 -20.429 1.00 0.00 H new ATOM 0 HD11 ILE A 79 16.444 9.073 -17.763 1.00 0.00 H new ATOM 0 HD12 ILE A 79 18.060 9.570 -17.207 1.00 0.00 H new ATOM 0 HD13 ILE A 79 17.071 10.685 -18.180 1.00 0.00 H new ATOM 1185 N SER A 80 20.462 10.886 -22.841 1.00 0.00 N ATOM 1186 CA SER A 80 21.484 11.475 -23.696 1.00 0.00 C ATOM 1187 C SER A 80 21.171 12.935 -24.020 1.00 0.00 C ATOM 1188 O SER A 80 20.012 13.296 -24.231 1.00 0.00 O ATOM 1189 CB SER A 80 21.556 10.691 -25.018 1.00 0.00 C ATOM 1190 OG SER A 80 21.687 9.293 -24.822 1.00 0.00 O ATOM 0 H SER A 80 19.523 11.244 -23.017 1.00 0.00 H new ATOM 0 HA SER A 80 22.433 11.429 -23.161 1.00 0.00 H new ATOM 0 HB2 SER A 80 20.657 10.889 -25.602 1.00 0.00 H new ATOM 0 HB3 SER A 80 22.402 11.052 -25.603 1.00 0.00 H new ATOM 0 HG SER A 80 21.727 8.843 -25.692 1.00 0.00 H new ATOM 1196 N HIS A 81 22.214 13.755 -24.126 1.00 0.00 N ATOM 1197 CA HIS A 81 22.192 15.119 -24.633 1.00 0.00 C ATOM 1198 C HIS A 81 23.530 15.334 -25.345 1.00 0.00 C ATOM 1199 O HIS A 81 24.569 14.866 -24.870 1.00 0.00 O ATOM 1200 CB HIS A 81 22.006 16.127 -23.482 1.00 0.00 C ATOM 1201 CG HIS A 81 22.475 17.529 -23.802 1.00 0.00 C ATOM 1202 ND1 HIS A 81 21.988 18.370 -24.781 1.00 0.00 N ATOM 1203 CD2 HIS A 81 23.571 18.148 -23.258 1.00 0.00 C ATOM 1204 CE1 HIS A 81 22.785 19.449 -24.836 1.00 0.00 C ATOM 1205 NE2 HIS A 81 23.757 19.371 -23.911 1.00 0.00 N ATOM 0 H HIS A 81 23.150 13.465 -23.843 1.00 0.00 H new ATOM 0 HA HIS A 81 21.358 15.274 -25.317 1.00 0.00 H new ATOM 0 HB2 HIS A 81 20.951 16.162 -23.212 1.00 0.00 H new ATOM 0 HB3 HIS A 81 22.547 15.766 -22.607 1.00 0.00 H new ATOM 0 HD1 HIS A 81 21.166 18.202 -25.361 1.00 0.00 H new ATOM 0 HD2 HIS A 81 24.186 17.758 -22.461 1.00 0.00 H new ATOM 0 HE1 HIS A 81 22.662 20.268 -25.529 1.00 0.00 H new ATOM 1213 N GLN A 82 23.498 16.055 -26.465 1.00 0.00 N ATOM 1214 CA GLN A 82 24.653 16.559 -27.194 1.00 0.00 C ATOM 1215 C GLN A 82 24.257 17.937 -27.740 1.00 0.00 C ATOM 1216 O GLN A 82 23.066 18.257 -27.805 1.00 0.00 O ATOM 1217 CB GLN A 82 25.039 15.612 -28.346 1.00 0.00 C ATOM 1218 CG GLN A 82 25.460 14.204 -27.895 1.00 0.00 C ATOM 1219 CD GLN A 82 25.954 13.370 -29.079 1.00 0.00 C ATOM 1220 OE1 GLN A 82 27.150 13.292 -29.351 1.00 0.00 O ATOM 1221 NE2 GLN A 82 25.055 12.733 -29.814 1.00 0.00 N ATOM 0 H GLN A 82 22.617 16.315 -26.909 1.00 0.00 H new ATOM 0 HA GLN A 82 25.522 16.627 -26.540 1.00 0.00 H new ATOM 0 HB2 GLN A 82 24.193 15.524 -29.027 1.00 0.00 H new ATOM 0 HB3 GLN A 82 25.857 16.060 -28.910 1.00 0.00 H new ATOM 0 HG2 GLN A 82 26.248 14.279 -27.146 1.00 0.00 H new ATOM 0 HG3 GLN A 82 24.616 13.703 -27.421 1.00 0.00 H new ATOM 0 HE21 GLN A 82 24.064 12.803 -29.582 1.00 0.00 H new ATOM 0 HE22 GLN A 82 25.353 12.173 -30.612 1.00 0.00 H new ATOM 1230 N SER A 83 25.231 18.746 -28.155 1.00 0.00 N ATOM 1231 CA SER A 83 25.042 20.145 -28.540 1.00 0.00 C ATOM 1232 C SER A 83 23.994 20.361 -29.647 1.00 0.00 C ATOM 1233 O SER A 83 23.446 21.458 -29.767 1.00 0.00 O ATOM 1234 CB SER A 83 26.401 20.713 -28.970 1.00 0.00 C ATOM 1235 OG SER A 83 27.421 20.342 -28.049 1.00 0.00 O ATOM 0 H SER A 83 26.200 18.438 -28.235 1.00 0.00 H new ATOM 0 HA SER A 83 24.647 20.671 -27.671 1.00 0.00 H new ATOM 0 HB2 SER A 83 26.654 20.348 -29.965 1.00 0.00 H new ATOM 0 HB3 SER A 83 26.342 21.799 -29.035 1.00 0.00 H new ATOM 0 HG SER A 83 28.279 20.713 -28.344 1.00 0.00 H new ATOM 1241 N GLN A 84 23.702 19.329 -30.447 1.00 0.00 N ATOM 1242 CA GLN A 84 22.709 19.362 -31.514 1.00 0.00 C ATOM 1243 C GLN A 84 21.287 19.592 -30.976 1.00 0.00 C ATOM 1244 O GLN A 84 20.451 20.113 -31.718 1.00 0.00 O ATOM 1245 CB GLN A 84 22.761 18.052 -32.324 1.00 0.00 C ATOM 1246 CG GLN A 84 24.032 17.877 -33.180 1.00 0.00 C ATOM 1247 CD GLN A 84 25.319 17.612 -32.390 1.00 0.00 C ATOM 1248 OE1 GLN A 84 25.302 17.095 -31.277 1.00 0.00 O ATOM 1249 NE2 GLN A 84 26.469 17.979 -32.933 1.00 0.00 N ATOM 0 H GLN A 84 24.166 18.425 -30.363 1.00 0.00 H new ATOM 0 HA GLN A 84 22.953 20.204 -32.162 1.00 0.00 H new ATOM 0 HB2 GLN A 84 22.684 17.211 -31.635 1.00 0.00 H new ATOM 0 HB3 GLN A 84 21.890 18.009 -32.978 1.00 0.00 H new ATOM 0 HG2 GLN A 84 23.873 17.051 -33.873 1.00 0.00 H new ATOM 0 HG3 GLN A 84 24.172 18.775 -33.782 1.00 0.00 H new ATOM 0 HE21 GLN A 84 26.482 18.409 -33.858 1.00 0.00 H new ATOM 0 HE22 GLN A 84 27.342 17.832 -32.426 1.00 0.00 H new ATOM 1258 N ASP A 85 20.986 19.230 -29.722 1.00 0.00 N ATOM 1259 CA ASP A 85 19.658 19.409 -29.131 1.00 0.00 C ATOM 1260 C ASP A 85 19.773 19.565 -27.616 1.00 0.00 C ATOM 1261 O ASP A 85 20.169 18.634 -26.910 1.00 0.00 O ATOM 1262 CB ASP A 85 18.743 18.220 -29.470 1.00 0.00 C ATOM 1263 CG ASP A 85 17.318 18.387 -28.904 1.00 0.00 C ATOM 1264 OD1 ASP A 85 16.992 19.453 -28.335 1.00 0.00 O ATOM 1265 OD2 ASP A 85 16.506 17.450 -29.083 1.00 0.00 O ATOM 0 H ASP A 85 21.661 18.803 -29.088 1.00 0.00 H new ATOM 0 HA ASP A 85 19.217 20.313 -29.550 1.00 0.00 H new ATOM 0 HB2 ASP A 85 18.689 18.105 -30.553 1.00 0.00 H new ATOM 0 HB3 ASP A 85 19.182 17.304 -29.074 1.00 0.00 H new ATOM 1270 N LYS A 86 19.434 20.754 -27.105 1.00 0.00 N ATOM 1271 CA LYS A 86 19.478 21.047 -25.676 1.00 0.00 C ATOM 1272 C LYS A 86 18.475 20.206 -24.878 1.00 0.00 C ATOM 1273 O LYS A 86 18.729 19.974 -23.692 1.00 0.00 O ATOM 1274 CB LYS A 86 19.280 22.562 -25.452 1.00 0.00 C ATOM 1275 CG LYS A 86 19.418 23.016 -23.986 1.00 0.00 C ATOM 1276 CD LYS A 86 20.825 22.843 -23.381 1.00 0.00 C ATOM 1277 CE LYS A 86 20.760 22.448 -21.897 1.00 0.00 C ATOM 1278 NZ LYS A 86 20.478 21.004 -21.704 1.00 0.00 N ATOM 0 H LYS A 86 19.121 21.539 -27.676 1.00 0.00 H new ATOM 0 HA LYS A 86 20.461 20.767 -25.297 1.00 0.00 H new ATOM 0 HB2 LYS A 86 20.007 23.104 -26.057 1.00 0.00 H new ATOM 0 HB3 LYS A 86 18.291 22.844 -25.815 1.00 0.00 H new ATOM 0 HG2 LYS A 86 19.137 24.067 -23.919 1.00 0.00 H new ATOM 0 HG3 LYS A 86 18.706 22.456 -23.379 1.00 0.00 H new ATOM 0 HD2 LYS A 86 21.369 22.080 -23.937 1.00 0.00 H new ATOM 0 HD3 LYS A 86 21.383 23.773 -23.486 1.00 0.00 H new ATOM 0 HE2 LYS A 86 21.706 22.697 -21.416 1.00 0.00 H new ATOM 0 HE3 LYS A 86 19.987 23.035 -21.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 20.035 20.858 -20.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 19.834 20.673 -22.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 21.367 20.467 -21.752 1.00 0.00 H new ATOM 1292 N LYS A 87 17.362 19.749 -25.464 1.00 0.00 N ATOM 1293 CA LYS A 87 16.451 18.868 -24.740 1.00 0.00 C ATOM 1294 C LYS A 87 17.177 17.539 -24.549 1.00 0.00 C ATOM 1295 O LYS A 87 17.604 16.927 -25.530 1.00 0.00 O ATOM 1296 CB LYS A 87 15.098 18.666 -25.454 1.00 0.00 C ATOM 1297 CG LYS A 87 14.186 19.910 -25.532 1.00 0.00 C ATOM 1298 CD LYS A 87 14.493 20.820 -26.734 1.00 0.00 C ATOM 1299 CE LYS A 87 13.579 22.050 -26.863 1.00 0.00 C ATOM 1300 NZ LYS A 87 12.155 21.717 -27.109 1.00 0.00 N ATOM 0 H LYS A 87 17.078 19.971 -26.418 1.00 0.00 H new ATOM 0 HA LYS A 87 16.195 19.324 -23.784 1.00 0.00 H new ATOM 0 HB2 LYS A 87 15.293 18.317 -26.468 1.00 0.00 H new ATOM 0 HB3 LYS A 87 14.554 17.872 -24.943 1.00 0.00 H new ATOM 0 HG2 LYS A 87 13.147 19.586 -25.587 1.00 0.00 H new ATOM 0 HG3 LYS A 87 14.292 20.487 -24.613 1.00 0.00 H new ATOM 0 HD2 LYS A 87 15.526 21.159 -26.660 1.00 0.00 H new ATOM 0 HD3 LYS A 87 14.415 20.230 -27.647 1.00 0.00 H new ATOM 0 HE2 LYS A 87 13.651 22.642 -25.950 1.00 0.00 H new ATOM 0 HE3 LYS A 87 13.942 22.676 -27.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 11.644 22.574 -27.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 12.091 21.002 -27.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 11.731 21.341 -26.237 1.00 0.00 H new ATOM 1314 N ILE A 88 17.333 17.099 -23.298 1.00 0.00 N ATOM 1315 CA ILE A 88 17.846 15.759 -23.015 1.00 0.00 C ATOM 1316 C ILE A 88 16.780 14.775 -23.526 1.00 0.00 C ATOM 1317 O ILE A 88 15.587 15.091 -23.522 1.00 0.00 O ATOM 1318 CB ILE A 88 18.184 15.560 -21.509 1.00 0.00 C ATOM 1319 CG1 ILE A 88 18.766 16.833 -20.837 1.00 0.00 C ATOM 1320 CG2 ILE A 88 19.147 14.376 -21.318 1.00 0.00 C ATOM 1321 CD1 ILE A 88 19.107 16.677 -19.349 1.00 0.00 C ATOM 0 H ILE A 88 17.112 17.650 -22.468 1.00 0.00 H new ATOM 0 HA ILE A 88 18.795 15.588 -23.523 1.00 0.00 H new ATOM 0 HB ILE A 88 17.237 15.345 -21.013 1.00 0.00 H new ATOM 0 HG12 ILE A 88 19.668 17.129 -21.373 1.00 0.00 H new ATOM 0 HG13 ILE A 88 18.048 17.646 -20.947 1.00 0.00 H new ATOM 0 HG21 ILE A 88 19.370 14.255 -20.258 1.00 0.00 H new ATOM 0 HG22 ILE A 88 18.684 13.465 -21.697 1.00 0.00 H new ATOM 0 HG23 ILE A 88 20.071 14.567 -21.863 1.00 0.00 H new ATOM 0 HD11 ILE A 88 19.507 17.616 -18.967 1.00 0.00 H new ATOM 0 HD12 ILE A 88 18.206 16.414 -18.795 1.00 0.00 H new ATOM 0 HD13 ILE A 88 19.851 15.890 -19.227 1.00 0.00 H new ATOM 1333 N HIS A 89 17.187 13.584 -23.951 1.00 0.00 N ATOM 1334 CA HIS A 89 16.299 12.577 -24.505 1.00 0.00 C ATOM 1335 C HIS A 89 16.442 11.294 -23.690 1.00 0.00 C ATOM 1336 O HIS A 89 17.520 11.025 -23.157 1.00 0.00 O ATOM 1337 CB HIS A 89 16.646 12.362 -25.982 1.00 0.00 C ATOM 1338 CG HIS A 89 15.556 11.654 -26.744 1.00 0.00 C ATOM 1339 ND1 HIS A 89 14.385 12.225 -27.188 1.00 0.00 N ATOM 1340 CD2 HIS A 89 15.552 10.347 -27.150 1.00 0.00 C ATOM 1341 CE1 HIS A 89 13.698 11.289 -27.861 1.00 0.00 C ATOM 1342 NE2 HIS A 89 14.365 10.121 -27.860 1.00 0.00 N ATOM 0 H HIS A 89 18.163 13.289 -23.918 1.00 0.00 H new ATOM 0 HA HIS A 89 15.259 12.898 -24.451 1.00 0.00 H new ATOM 0 HB2 HIS A 89 16.840 13.328 -26.449 1.00 0.00 H new ATOM 0 HB3 HIS A 89 17.567 11.783 -26.053 1.00 0.00 H new ATOM 0 HD2 HIS A 89 16.326 9.619 -26.957 1.00 0.00 H new ATOM 0 HE1 HIS A 89 12.742 11.451 -28.337 1.00 0.00 H new ATOM 0 HE2 HIS A 89 14.067 9.246 -28.290 1.00 0.00 H new ATOM 1350 N VAL A 90 15.374 10.501 -23.616 1.00 0.00 N ATOM 1351 CA VAL A 90 15.286 9.276 -22.827 1.00 0.00 C ATOM 1352 C VAL A 90 14.815 8.174 -23.781 1.00 0.00 C ATOM 1353 O VAL A 90 13.854 8.371 -24.528 1.00 0.00 O ATOM 1354 CB VAL A 90 14.305 9.485 -21.648 1.00 0.00 C ATOM 1355 CG1 VAL A 90 14.266 8.257 -20.727 1.00 0.00 C ATOM 1356 CG2 VAL A 90 14.625 10.737 -20.810 1.00 0.00 C ATOM 0 H VAL A 90 14.513 10.703 -24.125 1.00 0.00 H new ATOM 0 HA VAL A 90 16.245 8.999 -22.390 1.00 0.00 H new ATOM 0 HB VAL A 90 13.327 9.631 -22.106 1.00 0.00 H new ATOM 0 HG11 VAL A 90 13.568 8.437 -19.910 1.00 0.00 H new ATOM 0 HG12 VAL A 90 13.942 7.386 -21.296 1.00 0.00 H new ATOM 0 HG13 VAL A 90 15.261 8.075 -20.321 1.00 0.00 H new ATOM 0 HG21 VAL A 90 13.901 10.827 -20.000 1.00 0.00 H new ATOM 0 HG22 VAL A 90 15.628 10.649 -20.393 1.00 0.00 H new ATOM 0 HG23 VAL A 90 14.572 11.622 -21.444 1.00 0.00 H new ATOM 1366 N TYR A 91 15.494 7.029 -23.804 1.00 0.00 N ATOM 1367 CA TYR A 91 15.195 5.940 -24.729 1.00 0.00 C ATOM 1368 C TYR A 91 15.769 4.625 -24.183 1.00 0.00 C ATOM 1369 O TYR A 91 16.284 4.590 -23.062 1.00 0.00 O ATOM 1370 CB TYR A 91 15.755 6.279 -26.125 1.00 0.00 C ATOM 1371 CG TYR A 91 17.243 6.034 -26.324 1.00 0.00 C ATOM 1372 CD1 TYR A 91 18.213 6.758 -25.602 1.00 0.00 C ATOM 1373 CD2 TYR A 91 17.654 5.048 -27.239 1.00 0.00 C ATOM 1374 CE1 TYR A 91 19.580 6.481 -25.784 1.00 0.00 C ATOM 1375 CE2 TYR A 91 19.014 4.777 -27.442 1.00 0.00 C ATOM 1376 CZ TYR A 91 19.988 5.488 -26.705 1.00 0.00 C ATOM 1377 OH TYR A 91 21.315 5.223 -26.872 1.00 0.00 O ATOM 0 H TYR A 91 16.273 6.830 -23.176 1.00 0.00 H new ATOM 0 HA TYR A 91 14.116 5.815 -24.825 1.00 0.00 H new ATOM 0 HB2 TYR A 91 15.209 5.695 -26.865 1.00 0.00 H new ATOM 0 HB3 TYR A 91 15.549 7.329 -26.332 1.00 0.00 H new ATOM 0 HD1 TYR A 91 17.906 7.527 -24.908 1.00 0.00 H new ATOM 0 HD2 TYR A 91 16.912 4.492 -27.793 1.00 0.00 H new ATOM 0 HE1 TYR A 91 20.320 7.028 -25.219 1.00 0.00 H new ATOM 0 HE2 TYR A 91 19.316 4.028 -28.159 1.00 0.00 H new ATOM 0 HH TYR A 91 21.426 4.514 -27.540 1.00 0.00 H new ATOM 1387 N GLY A 92 15.731 3.551 -24.972 1.00 0.00 N ATOM 1388 CA GLY A 92 16.414 2.315 -24.634 1.00 0.00 C ATOM 1389 C GLY A 92 15.581 1.450 -23.696 1.00 0.00 C ATOM 1390 O GLY A 92 14.372 1.640 -23.543 1.00 0.00 O ATOM 0 H GLY A 92 15.227 3.519 -25.858 1.00 0.00 H new ATOM 0 HA2 GLY A 92 16.632 1.758 -25.546 1.00 0.00 H new ATOM 0 HA3 GLY A 92 17.371 2.544 -24.164 1.00 0.00 H new ATOM 1394 N TYR A 93 16.244 0.470 -23.085 1.00 0.00 N ATOM 1395 CA TYR A 93 15.675 -0.444 -22.110 1.00 0.00 C ATOM 1396 C TYR A 93 16.785 -0.817 -21.127 1.00 0.00 C ATOM 1397 O TYR A 93 17.964 -0.777 -21.496 1.00 0.00 O ATOM 1398 CB TYR A 93 15.106 -1.690 -22.815 1.00 0.00 C ATOM 1399 CG TYR A 93 16.123 -2.583 -23.513 1.00 0.00 C ATOM 1400 CD1 TYR A 93 16.645 -2.226 -24.771 1.00 0.00 C ATOM 1401 CD2 TYR A 93 16.546 -3.780 -22.901 1.00 0.00 C ATOM 1402 CE1 TYR A 93 17.601 -3.042 -25.404 1.00 0.00 C ATOM 1403 CE2 TYR A 93 17.502 -4.601 -23.525 1.00 0.00 C ATOM 1404 CZ TYR A 93 18.038 -4.233 -24.780 1.00 0.00 C ATOM 1405 OH TYR A 93 18.963 -5.037 -25.378 1.00 0.00 O ATOM 0 H TYR A 93 17.231 0.288 -23.266 1.00 0.00 H new ATOM 0 HA TYR A 93 14.849 0.023 -21.574 1.00 0.00 H new ATOM 0 HB2 TYR A 93 14.572 -2.289 -22.077 1.00 0.00 H new ATOM 0 HB3 TYR A 93 14.372 -1.363 -23.552 1.00 0.00 H new ATOM 0 HD1 TYR A 93 16.309 -1.320 -25.253 1.00 0.00 H new ATOM 0 HD2 TYR A 93 16.133 -4.069 -21.946 1.00 0.00 H new ATOM 0 HE1 TYR A 93 18.001 -2.758 -26.366 1.00 0.00 H new ATOM 0 HE2 TYR A 93 17.827 -5.513 -23.045 1.00 0.00 H new ATOM 0 HH TYR A 93 19.144 -5.810 -24.804 1.00 0.00 H new ATOM 1415 N SER A 94 16.437 -1.174 -19.889 1.00 0.00 N ATOM 1416 CA SER A 94 17.423 -1.681 -18.954 1.00 0.00 C ATOM 1417 C SER A 94 17.863 -3.055 -19.432 1.00 0.00 C ATOM 1418 O SER A 94 17.029 -3.943 -19.629 1.00 0.00 O ATOM 1419 CB SER A 94 16.889 -1.717 -17.521 1.00 0.00 C ATOM 1420 OG SER A 94 17.763 -2.460 -16.688 1.00 0.00 O ATOM 0 H SER A 94 15.487 -1.120 -19.520 1.00 0.00 H new ATOM 0 HA SER A 94 18.282 -1.010 -18.928 1.00 0.00 H new ATOM 0 HB2 SER A 94 16.787 -0.702 -17.138 1.00 0.00 H new ATOM 0 HB3 SER A 94 15.895 -2.164 -17.507 1.00 0.00 H new ATOM 0 HG SER A 94 17.364 -2.556 -15.798 1.00 0.00 H new ATOM 1426 N MET A 95 19.177 -3.250 -19.541 1.00 0.00 N ATOM 1427 CA MET A 95 19.770 -4.550 -19.828 1.00 0.00 C ATOM 1428 C MET A 95 19.398 -5.594 -18.756 1.00 0.00 C ATOM 1429 O MET A 95 19.460 -6.793 -19.032 1.00 0.00 O ATOM 1430 CB MET A 95 21.294 -4.373 -19.961 1.00 0.00 C ATOM 1431 CG MET A 95 22.019 -5.599 -20.530 1.00 0.00 C ATOM 1432 SD MET A 95 21.497 -6.095 -22.198 1.00 0.00 S ATOM 1433 CE MET A 95 22.574 -7.536 -22.433 1.00 0.00 C ATOM 0 H MET A 95 19.862 -2.503 -19.431 1.00 0.00 H new ATOM 0 HA MET A 95 19.372 -4.934 -20.767 1.00 0.00 H new ATOM 0 HB2 MET A 95 21.495 -3.515 -20.603 1.00 0.00 H new ATOM 0 HB3 MET A 95 21.709 -4.141 -18.980 1.00 0.00 H new ATOM 0 HG2 MET A 95 23.089 -5.394 -20.547 1.00 0.00 H new ATOM 0 HG3 MET A 95 21.866 -6.439 -19.853 1.00 0.00 H new ATOM 0 HE1 MET A 95 22.388 -7.973 -23.414 1.00 0.00 H new ATOM 0 HE2 MET A 95 23.617 -7.226 -22.365 1.00 0.00 H new ATOM 0 HE3 MET A 95 22.365 -8.276 -21.661 1.00 0.00 H new ATOM 1443 N ALA A 96 18.990 -5.163 -17.552 1.00 0.00 N ATOM 1444 CA ALA A 96 18.683 -6.046 -16.433 1.00 0.00 C ATOM 1445 C ALA A 96 17.184 -6.101 -16.109 1.00 0.00 C ATOM 1446 O ALA A 96 16.724 -7.132 -15.614 1.00 0.00 O ATOM 1447 CB ALA A 96 19.465 -5.571 -15.201 1.00 0.00 C ATOM 0 H ALA A 96 18.865 -4.175 -17.333 1.00 0.00 H new ATOM 0 HA ALA A 96 18.978 -7.056 -16.716 1.00 0.00 H new ATOM 0 HB1 ALA A 96 19.244 -6.223 -14.356 1.00 0.00 H new ATOM 0 HB2 ALA A 96 20.534 -5.602 -15.414 1.00 0.00 H new ATOM 0 HB3 ALA A 96 19.173 -4.550 -14.957 1.00 0.00 H new ATOM 1453 N TYR A 97 16.419 -5.041 -16.407 1.00 0.00 N ATOM 1454 CA TYR A 97 15.036 -4.886 -15.939 1.00 0.00 C ATOM 1455 C TYR A 97 14.044 -4.471 -17.036 1.00 0.00 C ATOM 1456 O TYR A 97 12.868 -4.260 -16.735 1.00 0.00 O ATOM 1457 CB TYR A 97 15.016 -3.891 -14.758 1.00 0.00 C ATOM 1458 CG TYR A 97 16.008 -4.193 -13.642 1.00 0.00 C ATOM 1459 CD1 TYR A 97 15.999 -5.453 -13.015 1.00 0.00 C ATOM 1460 CD2 TYR A 97 16.947 -3.221 -13.238 1.00 0.00 C ATOM 1461 CE1 TYR A 97 16.943 -5.760 -12.020 1.00 0.00 C ATOM 1462 CE2 TYR A 97 17.890 -3.517 -12.236 1.00 0.00 C ATOM 1463 CZ TYR A 97 17.900 -4.797 -11.631 1.00 0.00 C ATOM 1464 OH TYR A 97 18.811 -5.121 -10.670 1.00 0.00 O ATOM 0 H TYR A 97 16.745 -4.264 -16.982 1.00 0.00 H new ATOM 0 HA TYR A 97 14.692 -5.868 -15.613 1.00 0.00 H new ATOM 0 HB2 TYR A 97 15.218 -2.891 -15.142 1.00 0.00 H new ATOM 0 HB3 TYR A 97 14.012 -3.873 -14.335 1.00 0.00 H new ATOM 0 HD1 TYR A 97 15.262 -6.189 -13.300 1.00 0.00 H new ATOM 0 HD2 TYR A 97 16.942 -2.245 -13.700 1.00 0.00 H new ATOM 0 HE1 TYR A 97 16.937 -6.733 -11.552 1.00 0.00 H new ATOM 0 HE2 TYR A 97 18.605 -2.768 -11.929 1.00 0.00 H new ATOM 0 HH TYR A 97 19.712 -4.896 -10.984 1.00 0.00 H new ATOM 1474 N GLY A 98 14.470 -4.376 -18.299 1.00 0.00 N ATOM 1475 CA GLY A 98 13.587 -4.049 -19.416 1.00 0.00 C ATOM 1476 C GLY A 98 13.239 -2.557 -19.479 1.00 0.00 C ATOM 1477 O GLY A 98 13.767 -1.757 -18.698 1.00 0.00 O ATOM 0 H GLY A 98 15.441 -4.525 -18.574 1.00 0.00 H new ATOM 0 HA2 GLY A 98 14.064 -4.346 -20.350 1.00 0.00 H new ATOM 0 HA3 GLY A 98 12.668 -4.629 -19.329 1.00 0.00 H new ATOM 1481 N PRO A 99 12.410 -2.142 -20.453 1.00 0.00 N ATOM 1482 CA PRO A 99 12.081 -0.740 -20.663 1.00 0.00 C ATOM 1483 C PRO A 99 11.192 -0.224 -19.531 1.00 0.00 C ATOM 1484 O PRO A 99 10.168 -0.824 -19.197 1.00 0.00 O ATOM 1485 CB PRO A 99 11.389 -0.677 -22.028 1.00 0.00 C ATOM 1486 CG PRO A 99 10.779 -2.068 -22.193 1.00 0.00 C ATOM 1487 CD PRO A 99 11.752 -2.982 -21.447 1.00 0.00 C ATOM 0 HA PRO A 99 12.964 -0.101 -20.656 1.00 0.00 H new ATOM 0 HB2 PRO A 99 10.625 0.100 -22.054 1.00 0.00 H new ATOM 0 HB3 PRO A 99 12.098 -0.454 -22.826 1.00 0.00 H new ATOM 0 HG2 PRO A 99 9.777 -2.118 -21.768 1.00 0.00 H new ATOM 0 HG3 PRO A 99 10.694 -2.346 -23.244 1.00 0.00 H new ATOM 0 HD2 PRO A 99 11.224 -3.809 -20.972 1.00 0.00 H new ATOM 0 HD3 PRO A 99 12.479 -3.419 -22.131 1.00 0.00 H new ATOM 1495 N ALA A 100 11.589 0.907 -18.949 1.00 0.00 N ATOM 1496 CA ALA A 100 10.764 1.653 -18.011 1.00 0.00 C ATOM 1497 C ALA A 100 9.619 2.371 -18.734 1.00 0.00 C ATOM 1498 O ALA A 100 9.607 2.496 -19.962 1.00 0.00 O ATOM 1499 CB ALA A 100 11.645 2.704 -17.341 1.00 0.00 C ATOM 0 H ALA A 100 12.501 1.331 -19.119 1.00 0.00 H new ATOM 0 HA ALA A 100 10.338 0.962 -17.284 1.00 0.00 H new ATOM 0 HB1 ALA A 100 11.050 3.279 -16.631 1.00 0.00 H new ATOM 0 HB2 ALA A 100 12.462 2.211 -16.814 1.00 0.00 H new ATOM 0 HB3 ALA A 100 12.053 3.373 -18.098 1.00 0.00 H new ATOM 1505 N GLN A 101 8.676 2.897 -17.948 1.00 0.00 N ATOM 1506 CA GLN A 101 7.643 3.811 -18.418 1.00 0.00 C ATOM 1507 C GLN A 101 8.314 5.182 -18.552 1.00 0.00 C ATOM 1508 O GLN A 101 8.144 6.042 -17.692 1.00 0.00 O ATOM 1509 CB GLN A 101 6.456 3.849 -17.437 1.00 0.00 C ATOM 1510 CG GLN A 101 5.588 2.589 -17.522 1.00 0.00 C ATOM 1511 CD GLN A 101 4.488 2.600 -16.459 1.00 0.00 C ATOM 1512 OE1 GLN A 101 4.622 2.005 -15.393 1.00 0.00 O ATOM 1513 NE2 GLN A 101 3.380 3.281 -16.712 1.00 0.00 N ATOM 0 H GLN A 101 8.612 2.693 -16.951 1.00 0.00 H new ATOM 0 HA GLN A 101 7.230 3.490 -19.375 1.00 0.00 H new ATOM 0 HB2 GLN A 101 6.832 3.960 -16.420 1.00 0.00 H new ATOM 0 HB3 GLN A 101 5.842 4.725 -17.647 1.00 0.00 H new ATOM 0 HG2 GLN A 101 5.139 2.520 -18.513 1.00 0.00 H new ATOM 0 HG3 GLN A 101 6.213 1.705 -17.393 1.00 0.00 H new ATOM 0 HE21 GLN A 101 3.275 3.773 -17.599 1.00 0.00 H new ATOM 0 HE22 GLN A 101 2.632 3.313 -16.019 1.00 0.00 H new ATOM 1522 N HIS A 102 9.122 5.381 -19.595 1.00 0.00 N ATOM 1523 CA HIS A 102 9.911 6.600 -19.794 1.00 0.00 C ATOM 1524 C HIS A 102 9.065 7.882 -19.824 1.00 0.00 C ATOM 1525 O HIS A 102 9.593 8.960 -19.554 1.00 0.00 O ATOM 1526 CB HIS A 102 10.732 6.466 -21.080 1.00 0.00 C ATOM 1527 CG HIS A 102 11.693 5.307 -21.037 1.00 0.00 C ATOM 1528 ND1 HIS A 102 11.633 4.147 -21.779 1.00 0.00 N ATOM 1529 CD2 HIS A 102 12.727 5.169 -20.156 1.00 0.00 C ATOM 1530 CE1 HIS A 102 12.612 3.334 -21.344 1.00 0.00 C ATOM 1531 NE2 HIS A 102 13.320 3.921 -20.368 1.00 0.00 N ATOM 0 H HIS A 102 9.249 4.691 -20.336 1.00 0.00 H new ATOM 0 HA HIS A 102 10.570 6.701 -18.932 1.00 0.00 H new ATOM 0 HB2 HIS A 102 10.056 6.342 -21.926 1.00 0.00 H new ATOM 0 HB3 HIS A 102 11.288 7.388 -21.249 1.00 0.00 H new ATOM 0 HD1 HIS A 102 10.967 3.942 -22.523 1.00 0.00 H new ATOM 0 HD2 HIS A 102 13.034 5.899 -19.421 1.00 0.00 H new ATOM 0 HE1 HIS A 102 12.802 2.343 -21.729 1.00 0.00 H new ATOM 1539 N ALA A 103 7.758 7.768 -20.092 1.00 0.00 N ATOM 1540 CA ALA A 103 6.805 8.860 -19.942 1.00 0.00 C ATOM 1541 C ALA A 103 6.857 9.467 -18.530 1.00 0.00 C ATOM 1542 O ALA A 103 6.764 10.685 -18.378 1.00 0.00 O ATOM 1543 CB ALA A 103 5.397 8.328 -20.240 1.00 0.00 C ATOM 0 H ALA A 103 7.334 6.901 -20.423 1.00 0.00 H new ATOM 0 HA ALA A 103 7.065 9.653 -20.644 1.00 0.00 H new ATOM 0 HB1 ALA A 103 4.673 9.135 -20.132 1.00 0.00 H new ATOM 0 HB2 ALA A 103 5.362 7.943 -21.259 1.00 0.00 H new ATOM 0 HB3 ALA A 103 5.155 7.527 -19.541 1.00 0.00 H new ATOM 1549 N ILE A 104 7.024 8.633 -17.496 1.00 0.00 N ATOM 1550 CA ILE A 104 7.143 9.068 -16.107 1.00 0.00 C ATOM 1551 C ILE A 104 8.384 9.940 -15.963 1.00 0.00 C ATOM 1552 O ILE A 104 8.314 11.004 -15.347 1.00 0.00 O ATOM 1553 CB ILE A 104 7.213 7.843 -15.160 1.00 0.00 C ATOM 1554 CG1 ILE A 104 5.972 6.933 -15.263 1.00 0.00 C ATOM 1555 CG2 ILE A 104 7.428 8.273 -13.698 1.00 0.00 C ATOM 1556 CD1 ILE A 104 4.705 7.563 -14.682 1.00 0.00 C ATOM 0 H ILE A 104 7.081 7.621 -17.608 1.00 0.00 H new ATOM 0 HA ILE A 104 6.264 9.650 -15.830 1.00 0.00 H new ATOM 0 HB ILE A 104 8.074 7.261 -15.490 1.00 0.00 H new ATOM 0 HG12 ILE A 104 5.798 6.686 -16.310 1.00 0.00 H new ATOM 0 HG13 ILE A 104 6.174 5.996 -14.744 1.00 0.00 H new ATOM 0 HG21 ILE A 104 7.472 7.389 -13.062 1.00 0.00 H new ATOM 0 HG22 ILE A 104 8.363 8.827 -13.615 1.00 0.00 H new ATOM 0 HG23 ILE A 104 6.601 8.908 -13.380 1.00 0.00 H new ATOM 0 HD11 ILE A 104 3.872 6.868 -14.788 1.00 0.00 H new ATOM 0 HD12 ILE A 104 4.860 7.785 -13.626 1.00 0.00 H new ATOM 0 HD13 ILE A 104 4.479 8.485 -15.217 1.00 0.00 H new ATOM 1568 N SER A 105 9.506 9.507 -16.536 1.00 0.00 N ATOM 1569 CA SER A 105 10.758 10.230 -16.483 1.00 0.00 C ATOM 1570 C SER A 105 10.588 11.618 -17.073 1.00 0.00 C ATOM 1571 O SER A 105 10.902 12.599 -16.404 1.00 0.00 O ATOM 1572 CB SER A 105 11.827 9.443 -17.233 1.00 0.00 C ATOM 1573 OG SER A 105 11.795 8.100 -16.795 1.00 0.00 O ATOM 0 H SER A 105 9.563 8.631 -17.055 1.00 0.00 H new ATOM 0 HA SER A 105 11.071 10.345 -15.445 1.00 0.00 H new ATOM 0 HB2 SER A 105 11.649 9.494 -18.307 1.00 0.00 H new ATOM 0 HB3 SER A 105 12.811 9.876 -17.052 1.00 0.00 H new ATOM 0 HG SER A 105 12.258 8.025 -15.935 1.00 0.00 H new ATOM 1579 N THR A 106 10.057 11.719 -18.292 1.00 0.00 N ATOM 1580 CA THR A 106 9.862 13.011 -18.930 1.00 0.00 C ATOM 1581 C THR A 106 8.884 13.880 -18.136 1.00 0.00 C ATOM 1582 O THR A 106 9.164 15.063 -17.949 1.00 0.00 O ATOM 1583 CB THR A 106 9.459 12.837 -20.404 1.00 0.00 C ATOM 1584 OG1 THR A 106 8.461 11.852 -20.583 1.00 0.00 O ATOM 1585 CG2 THR A 106 10.668 12.387 -21.226 1.00 0.00 C ATOM 0 H THR A 106 9.757 10.921 -18.852 1.00 0.00 H new ATOM 0 HA THR A 106 10.811 13.548 -18.929 1.00 0.00 H new ATOM 0 HB THR A 106 9.077 13.805 -20.729 1.00 0.00 H new ATOM 0 HG1 THR A 106 7.999 11.696 -19.733 1.00 0.00 H new ATOM 0 HG21 THR A 106 10.374 12.266 -22.269 1.00 0.00 H new ATOM 0 HG22 THR A 106 11.456 13.137 -21.156 1.00 0.00 H new ATOM 0 HG23 THR A 106 11.037 11.437 -20.840 1.00 0.00 H new ATOM 1593 N GLU A 107 7.784 13.321 -17.614 1.00 0.00 N ATOM 1594 CA GLU A 107 6.818 14.083 -16.832 1.00 0.00 C ATOM 1595 C GLU A 107 7.484 14.666 -15.581 1.00 0.00 C ATOM 1596 O GLU A 107 7.390 15.870 -15.330 1.00 0.00 O ATOM 1597 CB GLU A 107 5.599 13.206 -16.466 1.00 0.00 C ATOM 1598 CG GLU A 107 4.589 13.143 -17.622 1.00 0.00 C ATOM 1599 CD GLU A 107 3.348 12.308 -17.253 1.00 0.00 C ATOM 1600 OE1 GLU A 107 2.490 12.796 -16.481 1.00 0.00 O ATOM 1601 OE2 GLU A 107 3.190 11.173 -17.758 1.00 0.00 O ATOM 0 H GLU A 107 7.545 12.335 -17.724 1.00 0.00 H new ATOM 0 HA GLU A 107 6.457 14.914 -17.437 1.00 0.00 H new ATOM 0 HB2 GLU A 107 5.934 12.199 -16.218 1.00 0.00 H new ATOM 0 HB3 GLU A 107 5.113 13.608 -15.577 1.00 0.00 H new ATOM 0 HG2 GLU A 107 4.280 14.153 -17.890 1.00 0.00 H new ATOM 0 HG3 GLU A 107 5.069 12.712 -18.501 1.00 0.00 H new ATOM 1608 N LYS A 108 8.194 13.835 -14.813 1.00 0.00 N ATOM 1609 CA LYS A 108 8.834 14.266 -13.575 1.00 0.00 C ATOM 1610 C LYS A 108 9.973 15.235 -13.856 1.00 0.00 C ATOM 1611 O LYS A 108 10.053 16.271 -13.200 1.00 0.00 O ATOM 1612 CB LYS A 108 9.341 13.050 -12.792 1.00 0.00 C ATOM 1613 CG LYS A 108 8.196 12.273 -12.134 1.00 0.00 C ATOM 1614 CD LYS A 108 8.729 10.997 -11.471 1.00 0.00 C ATOM 1615 CE LYS A 108 7.622 10.332 -10.646 1.00 0.00 C ATOM 1616 NZ LYS A 108 7.546 10.898 -9.282 1.00 0.00 N ATOM 0 H LYS A 108 8.339 12.850 -15.034 1.00 0.00 H new ATOM 0 HA LYS A 108 8.093 14.789 -12.971 1.00 0.00 H new ATOM 0 HB2 LYS A 108 9.889 12.389 -13.464 1.00 0.00 H new ATOM 0 HB3 LYS A 108 10.043 13.379 -12.026 1.00 0.00 H new ATOM 0 HG2 LYS A 108 7.704 12.899 -11.390 1.00 0.00 H new ATOM 0 HG3 LYS A 108 7.445 12.016 -12.881 1.00 0.00 H new ATOM 0 HD2 LYS A 108 9.091 10.306 -12.232 1.00 0.00 H new ATOM 0 HD3 LYS A 108 9.577 11.238 -10.830 1.00 0.00 H new ATOM 0 HE2 LYS A 108 6.664 10.463 -11.149 1.00 0.00 H new ATOM 0 HE3 LYS A 108 7.806 9.259 -10.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 6.549 11.031 -9.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 7.999 10.246 -8.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 8.036 11.815 -9.259 1.00 0.00 H new ATOM 1630 N ILE A 109 10.844 14.940 -14.822 1.00 0.00 N ATOM 1631 CA ILE A 109 11.967 15.808 -15.151 1.00 0.00 C ATOM 1632 C ILE A 109 11.425 17.162 -15.618 1.00 0.00 C ATOM 1633 O ILE A 109 11.911 18.181 -15.137 1.00 0.00 O ATOM 1634 CB ILE A 109 12.910 15.124 -16.171 1.00 0.00 C ATOM 1635 CG1 ILE A 109 13.653 13.927 -15.525 1.00 0.00 C ATOM 1636 CG2 ILE A 109 13.966 16.102 -16.716 1.00 0.00 C ATOM 1637 CD1 ILE A 109 14.296 12.981 -16.553 1.00 0.00 C ATOM 0 H ILE A 109 10.789 14.097 -15.393 1.00 0.00 H new ATOM 0 HA ILE A 109 12.583 15.991 -14.270 1.00 0.00 H new ATOM 0 HB ILE A 109 12.279 14.778 -16.989 1.00 0.00 H new ATOM 0 HG12 ILE A 109 14.427 14.306 -14.858 1.00 0.00 H new ATOM 0 HG13 ILE A 109 12.952 13.362 -14.911 1.00 0.00 H new ATOM 0 HG21 ILE A 109 14.608 15.584 -17.428 1.00 0.00 H new ATOM 0 HG22 ILE A 109 13.469 16.934 -17.214 1.00 0.00 H new ATOM 0 HG23 ILE A 109 14.570 16.481 -15.892 1.00 0.00 H new ATOM 0 HD11 ILE A 109 14.799 12.166 -16.033 1.00 0.00 H new ATOM 0 HD12 ILE A 109 13.524 12.573 -17.205 1.00 0.00 H new ATOM 0 HD13 ILE A 109 15.022 13.532 -17.151 1.00 0.00 H new ATOM 1649 N LYS A 110 10.399 17.225 -16.478 1.00 0.00 N ATOM 1650 CA LYS A 110 9.846 18.518 -16.885 1.00 0.00 C ATOM 1651 C LYS A 110 9.258 19.270 -15.689 1.00 0.00 C ATOM 1652 O LYS A 110 9.455 20.481 -15.596 1.00 0.00 O ATOM 1653 CB LYS A 110 8.797 18.362 -17.996 1.00 0.00 C ATOM 1654 CG LYS A 110 9.447 18.063 -19.360 1.00 0.00 C ATOM 1655 CD LYS A 110 8.446 18.057 -20.525 1.00 0.00 C ATOM 1656 CE LYS A 110 7.755 19.426 -20.678 1.00 0.00 C ATOM 1657 NZ LYS A 110 7.098 19.606 -21.994 1.00 0.00 N ATOM 0 H LYS A 110 9.945 16.413 -16.896 1.00 0.00 H new ATOM 0 HA LYS A 110 10.670 19.108 -17.287 1.00 0.00 H new ATOM 0 HB2 LYS A 110 8.110 17.556 -17.737 1.00 0.00 H new ATOM 0 HB3 LYS A 110 8.205 19.275 -18.068 1.00 0.00 H new ATOM 0 HG2 LYS A 110 10.218 18.807 -19.557 1.00 0.00 H new ATOM 0 HG3 LYS A 110 9.944 17.094 -19.313 1.00 0.00 H new ATOM 0 HD2 LYS A 110 8.963 17.803 -21.450 1.00 0.00 H new ATOM 0 HD3 LYS A 110 7.695 17.285 -20.358 1.00 0.00 H new ATOM 0 HE2 LYS A 110 7.011 19.540 -19.889 1.00 0.00 H new ATOM 0 HE3 LYS A 110 8.493 20.216 -20.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 6.239 20.180 -21.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 7.751 20.088 -22.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 6.843 18.677 -22.385 1.00 0.00 H new ATOM 1671 N ALA A 111 8.571 18.582 -14.770 1.00 0.00 N ATOM 1672 CA ALA A 111 7.994 19.216 -13.590 1.00 0.00 C ATOM 1673 C ALA A 111 9.080 19.790 -12.671 1.00 0.00 C ATOM 1674 O ALA A 111 8.958 20.926 -12.210 1.00 0.00 O ATOM 1675 CB ALA A 111 7.116 18.210 -12.834 1.00 0.00 C ATOM 0 H ALA A 111 8.403 17.578 -14.827 1.00 0.00 H new ATOM 0 HA ALA A 111 7.375 20.050 -13.919 1.00 0.00 H new ATOM 0 HB1 ALA A 111 6.688 18.690 -11.954 1.00 0.00 H new ATOM 0 HB2 ALA A 111 6.313 17.866 -13.486 1.00 0.00 H new ATOM 0 HB3 ALA A 111 7.722 17.359 -12.524 1.00 0.00 H new ATOM 1681 N LYS A 112 10.140 19.019 -12.392 1.00 0.00 N ATOM 1682 CA LYS A 112 11.211 19.423 -11.472 1.00 0.00 C ATOM 1683 C LYS A 112 12.208 20.377 -12.144 1.00 0.00 C ATOM 1684 O LYS A 112 12.892 21.123 -11.446 1.00 0.00 O ATOM 1685 CB LYS A 112 11.919 18.175 -10.902 1.00 0.00 C ATOM 1686 CG LYS A 112 11.217 17.569 -9.668 1.00 0.00 C ATOM 1687 CD LYS A 112 9.766 17.103 -9.902 1.00 0.00 C ATOM 1688 CE LYS A 112 9.133 16.437 -8.672 1.00 0.00 C ATOM 1689 NZ LYS A 112 8.937 17.370 -7.532 1.00 0.00 N ATOM 0 H LYS A 112 10.279 18.094 -12.800 1.00 0.00 H new ATOM 0 HA LYS A 112 10.760 19.972 -10.645 1.00 0.00 H new ATOM 0 HB2 LYS A 112 11.981 17.416 -11.682 1.00 0.00 H new ATOM 0 HB3 LYS A 112 12.941 18.440 -10.633 1.00 0.00 H new ATOM 0 HG2 LYS A 112 11.803 16.719 -9.317 1.00 0.00 H new ATOM 0 HG3 LYS A 112 11.219 18.310 -8.868 1.00 0.00 H new ATOM 0 HD2 LYS A 112 9.160 17.960 -10.194 1.00 0.00 H new ATOM 0 HD3 LYS A 112 9.748 16.401 -10.736 1.00 0.00 H new ATOM 0 HE2 LYS A 112 8.170 16.012 -8.954 1.00 0.00 H new ATOM 0 HE3 LYS A 112 9.765 15.609 -8.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 8.507 16.859 -6.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 9.856 17.758 -7.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 8.310 18.147 -7.823 1.00 0.00 H new ATOM 1703 N TYR A 113 12.263 20.375 -13.478 1.00 0.00 N ATOM 1704 CA TYR A 113 13.166 21.139 -14.331 1.00 0.00 C ATOM 1705 C TYR A 113 14.620 21.132 -13.806 1.00 0.00 C ATOM 1706 O TYR A 113 15.174 22.192 -13.505 1.00 0.00 O ATOM 1707 CB TYR A 113 12.563 22.530 -14.609 1.00 0.00 C ATOM 1708 CG TYR A 113 12.910 23.086 -15.979 1.00 0.00 C ATOM 1709 CD1 TYR A 113 12.121 22.727 -17.089 1.00 0.00 C ATOM 1710 CD2 TYR A 113 14.000 23.961 -16.149 1.00 0.00 C ATOM 1711 CE1 TYR A 113 12.409 23.247 -18.362 1.00 0.00 C ATOM 1712 CE2 TYR A 113 14.295 24.485 -17.421 1.00 0.00 C ATOM 1713 CZ TYR A 113 13.496 24.132 -18.535 1.00 0.00 C ATOM 1714 OH TYR A 113 13.775 24.613 -19.779 1.00 0.00 O ATOM 0 H TYR A 113 11.629 19.795 -14.027 1.00 0.00 H new ATOM 0 HA TYR A 113 13.257 20.651 -15.301 1.00 0.00 H new ATOM 0 HB2 TYR A 113 11.479 22.471 -14.515 1.00 0.00 H new ATOM 0 HB3 TYR A 113 12.912 23.226 -13.846 1.00 0.00 H new ATOM 0 HD1 TYR A 113 11.290 22.049 -16.961 1.00 0.00 H new ATOM 0 HD2 TYR A 113 14.611 24.231 -15.301 1.00 0.00 H new ATOM 0 HE1 TYR A 113 11.799 22.970 -19.209 1.00 0.00 H new ATOM 0 HE2 TYR A 113 15.131 25.157 -17.548 1.00 0.00 H new ATOM 0 HH TYR A 113 14.694 24.375 -20.023 1.00 0.00 H new ATOM 1724 N PRO A 114 15.252 19.948 -13.653 1.00 0.00 N ATOM 1725 CA PRO A 114 16.578 19.819 -13.054 1.00 0.00 C ATOM 1726 C PRO A 114 17.695 20.388 -13.946 1.00 0.00 C ATOM 1727 O PRO A 114 18.784 20.669 -13.442 1.00 0.00 O ATOM 1728 CB PRO A 114 16.764 18.316 -12.805 1.00 0.00 C ATOM 1729 CG PRO A 114 15.940 17.676 -13.914 1.00 0.00 C ATOM 1730 CD PRO A 114 14.762 18.637 -14.056 1.00 0.00 C ATOM 0 HA PRO A 114 16.645 20.399 -12.133 1.00 0.00 H new ATOM 0 HB2 PRO A 114 17.813 18.025 -12.863 1.00 0.00 H new ATOM 0 HB3 PRO A 114 16.406 18.024 -11.818 1.00 0.00 H new ATOM 0 HG2 PRO A 114 16.507 17.591 -14.841 1.00 0.00 H new ATOM 0 HG3 PRO A 114 15.613 16.671 -13.647 1.00 0.00 H new ATOM 0 HD2 PRO A 114 14.398 18.657 -15.083 1.00 0.00 H new ATOM 0 HD3 PRO A 114 13.927 18.324 -13.428 1.00 0.00 H new ATOM 1738 N ASP A 115 17.447 20.573 -15.251 1.00 0.00 N ATOM 1739 CA ASP A 115 18.396 21.193 -16.179 1.00 0.00 C ATOM 1740 C ASP A 115 17.669 21.901 -17.321 1.00 0.00 C ATOM 1741 O ASP A 115 17.920 23.084 -17.558 1.00 0.00 O ATOM 1742 CB ASP A 115 19.348 20.139 -16.763 1.00 0.00 C ATOM 1743 CG ASP A 115 20.260 20.760 -17.834 1.00 0.00 C ATOM 1744 OD1 ASP A 115 21.161 21.550 -17.476 1.00 0.00 O ATOM 1745 OD2 ASP A 115 20.082 20.446 -19.032 1.00 0.00 O ATOM 0 H ASP A 115 16.572 20.292 -15.693 1.00 0.00 H new ATOM 0 HA ASP A 115 18.970 21.929 -15.616 1.00 0.00 H new ATOM 0 HB2 ASP A 115 19.955 19.710 -15.966 1.00 0.00 H new ATOM 0 HB3 ASP A 115 18.771 19.323 -17.199 1.00 0.00 H new ATOM 1750 N TYR A 116 16.757 21.206 -18.008 1.00 0.00 N ATOM 1751 CA TYR A 116 16.045 21.719 -19.175 1.00 0.00 C ATOM 1752 C TYR A 116 14.812 20.847 -19.444 1.00 0.00 C ATOM 1753 O TYR A 116 14.581 19.864 -18.732 1.00 0.00 O ATOM 1754 CB TYR A 116 16.991 21.705 -20.393 1.00 0.00 C ATOM 1755 CG TYR A 116 16.642 22.723 -21.459 1.00 0.00 C ATOM 1756 CD1 TYR A 116 16.952 24.080 -21.246 1.00 0.00 C ATOM 1757 CD2 TYR A 116 16.035 22.323 -22.664 1.00 0.00 C ATOM 1758 CE1 TYR A 116 16.656 25.037 -22.233 1.00 0.00 C ATOM 1759 CE2 TYR A 116 15.741 23.273 -23.658 1.00 0.00 C ATOM 1760 CZ TYR A 116 16.050 24.637 -23.446 1.00 0.00 C ATOM 1761 OH TYR A 116 15.777 25.574 -24.398 1.00 0.00 O ATOM 0 H TYR A 116 16.490 20.253 -17.761 1.00 0.00 H new ATOM 0 HA TYR A 116 15.718 22.742 -18.992 1.00 0.00 H new ATOM 0 HB2 TYR A 116 18.009 21.888 -20.051 1.00 0.00 H new ATOM 0 HB3 TYR A 116 16.978 20.710 -20.838 1.00 0.00 H new ATOM 0 HD1 TYR A 116 17.419 24.387 -20.322 1.00 0.00 H new ATOM 0 HD2 TYR A 116 15.794 21.283 -22.826 1.00 0.00 H new ATOM 0 HE1 TYR A 116 16.892 26.077 -22.064 1.00 0.00 H new ATOM 0 HE2 TYR A 116 15.279 22.961 -24.583 1.00 0.00 H new ATOM 0 HH TYR A 116 15.362 25.141 -25.173 1.00 0.00 H new ATOM 1771 N GLU A 117 14.021 21.196 -20.465 1.00 0.00 N ATOM 1772 CA GLU A 117 12.961 20.333 -20.977 1.00 0.00 C ATOM 1773 C GLU A 117 13.613 19.048 -21.517 1.00 0.00 C ATOM 1774 O GLU A 117 14.784 19.052 -21.914 1.00 0.00 O ATOM 1775 CB GLU A 117 12.152 21.080 -22.060 1.00 0.00 C ATOM 1776 CG GLU A 117 11.150 20.173 -22.798 1.00 0.00 C ATOM 1777 CD GLU A 117 10.227 20.929 -23.760 1.00 0.00 C ATOM 1778 OE1 GLU A 117 10.723 21.464 -24.776 1.00 0.00 O ATOM 1779 OE2 GLU A 117 8.996 20.925 -23.532 1.00 0.00 O ATOM 0 H GLU A 117 14.101 22.086 -20.957 1.00 0.00 H new ATOM 0 HA GLU A 117 12.258 20.064 -20.189 1.00 0.00 H new ATOM 0 HB2 GLU A 117 11.612 21.906 -21.597 1.00 0.00 H new ATOM 0 HB3 GLU A 117 12.841 21.515 -22.784 1.00 0.00 H new ATOM 0 HG2 GLU A 117 11.701 19.417 -23.357 1.00 0.00 H new ATOM 0 HG3 GLU A 117 10.541 19.646 -22.063 1.00 0.00 H new ATOM 1786 N VAL A 118 12.852 17.952 -21.570 1.00 0.00 N ATOM 1787 CA VAL A 118 13.318 16.665 -22.062 1.00 0.00 C ATOM 1788 C VAL A 118 12.250 16.005 -22.939 1.00 0.00 C ATOM 1789 O VAL A 118 11.092 16.432 -22.938 1.00 0.00 O ATOM 1790 CB VAL A 118 13.741 15.771 -20.877 1.00 0.00 C ATOM 1791 CG1 VAL A 118 14.937 16.376 -20.130 1.00 0.00 C ATOM 1792 CG2 VAL A 118 12.602 15.530 -19.874 1.00 0.00 C ATOM 0 H VAL A 118 11.879 17.940 -21.266 1.00 0.00 H new ATOM 0 HA VAL A 118 14.196 16.813 -22.691 1.00 0.00 H new ATOM 0 HB VAL A 118 14.018 14.812 -21.314 1.00 0.00 H new ATOM 0 HG11 VAL A 118 15.214 15.726 -19.300 1.00 0.00 H new ATOM 0 HG12 VAL A 118 15.781 16.473 -20.813 1.00 0.00 H new ATOM 0 HG13 VAL A 118 14.666 17.359 -19.746 1.00 0.00 H new ATOM 0 HG21 VAL A 118 12.959 14.895 -19.063 1.00 0.00 H new ATOM 0 HG22 VAL A 118 12.268 16.484 -19.467 1.00 0.00 H new ATOM 0 HG23 VAL A 118 11.770 15.040 -20.379 1.00 0.00 H new ATOM 1802 N THR A 119 12.633 14.955 -23.663 1.00 0.00 N ATOM 1803 CA THR A 119 11.774 14.194 -24.567 1.00 0.00 C ATOM 1804 C THR A 119 12.077 12.697 -24.417 1.00 0.00 C ATOM 1805 O THR A 119 13.048 12.318 -23.753 1.00 0.00 O ATOM 1806 CB THR A 119 11.990 14.677 -26.016 1.00 0.00 C ATOM 1807 OG1 THR A 119 13.371 14.776 -26.329 1.00 0.00 O ATOM 1808 CG2 THR A 119 11.327 16.028 -26.290 1.00 0.00 C ATOM 0 H THR A 119 13.588 14.597 -23.635 1.00 0.00 H new ATOM 0 HA THR A 119 10.726 14.354 -24.315 1.00 0.00 H new ATOM 0 HB THR A 119 11.521 13.925 -26.650 1.00 0.00 H new ATOM 0 HG1 THR A 119 13.701 13.905 -26.634 1.00 0.00 H new ATOM 0 HG21 THR A 119 11.510 16.320 -27.324 1.00 0.00 H new ATOM 0 HG22 THR A 119 10.253 15.947 -26.121 1.00 0.00 H new ATOM 0 HG23 THR A 119 11.744 16.780 -25.621 1.00 0.00 H new ATOM 1816 N TRP A 120 11.269 11.833 -25.035 1.00 0.00 N ATOM 1817 CA TRP A 120 11.555 10.405 -25.107 1.00 0.00 C ATOM 1818 C TRP A 120 11.042 9.822 -26.414 1.00 0.00 C ATOM 1819 O TRP A 120 10.203 10.432 -27.086 1.00 0.00 O ATOM 1820 CB TRP A 120 10.934 9.638 -23.924 1.00 0.00 C ATOM 1821 CG TRP A 120 9.445 9.443 -23.937 1.00 0.00 C ATOM 1822 CD1 TRP A 120 8.516 10.415 -23.820 1.00 0.00 C ATOM 1823 CD2 TRP A 120 8.689 8.197 -24.063 1.00 0.00 C ATOM 1824 NE1 TRP A 120 7.252 9.867 -23.827 1.00 0.00 N ATOM 1825 CE2 TRP A 120 7.297 8.496 -23.952 1.00 0.00 C ATOM 1826 CE3 TRP A 120 9.036 6.840 -24.249 1.00 0.00 C ATOM 1827 CZ2 TRP A 120 6.308 7.501 -23.987 1.00 0.00 C ATOM 1828 CZ3 TRP A 120 8.055 5.832 -24.252 1.00 0.00 C ATOM 1829 CH2 TRP A 120 6.693 6.158 -24.124 1.00 0.00 C ATOM 0 H TRP A 120 10.402 12.106 -25.497 1.00 0.00 H new ATOM 0 HA TRP A 120 12.638 10.292 -25.058 1.00 0.00 H new ATOM 0 HB2 TRP A 120 11.403 8.655 -23.876 1.00 0.00 H new ATOM 0 HB3 TRP A 120 11.198 10.163 -23.006 1.00 0.00 H new ATOM 0 HD1 TRP A 120 8.732 11.470 -23.733 1.00 0.00 H new ATOM 0 HE1 TRP A 120 6.391 10.408 -23.749 1.00 0.00 H new ATOM 0 HE3 TRP A 120 10.073 6.572 -24.391 1.00 0.00 H new ATOM 0 HZ2 TRP A 120 5.264 7.765 -23.910 1.00 0.00 H new ATOM 0 HZ3 TRP A 120 8.350 4.798 -24.354 1.00 0.00 H new ATOM 0 HH2 TRP A 120 5.946 5.378 -24.131 1.00 0.00 H new ATOM 1840 N ALA A 121 11.535 8.633 -26.755 1.00 0.00 N ATOM 1841 CA ALA A 121 11.015 7.816 -27.833 1.00 0.00 C ATOM 1842 C ALA A 121 11.250 6.357 -27.455 1.00 0.00 C ATOM 1843 O ALA A 121 12.343 5.997 -27.010 1.00 0.00 O ATOM 1844 CB ALA A 121 11.710 8.152 -29.159 1.00 0.00 C ATOM 0 H ALA A 121 12.327 8.207 -26.273 1.00 0.00 H new ATOM 0 HA ALA A 121 9.951 8.007 -27.973 1.00 0.00 H new ATOM 0 HB1 ALA A 121 11.302 7.526 -29.952 1.00 0.00 H new ATOM 0 HB2 ALA A 121 11.542 9.201 -29.402 1.00 0.00 H new ATOM 0 HB3 ALA A 121 12.780 7.968 -29.066 1.00 0.00 H new ATOM 1850 N ASN A 122 10.238 5.510 -27.652 1.00 0.00 N ATOM 1851 CA ASN A 122 10.358 4.068 -27.432 1.00 0.00 C ATOM 1852 C ASN A 122 11.094 3.374 -28.590 1.00 0.00 C ATOM 1853 O ASN A 122 11.589 2.260 -28.429 1.00 0.00 O ATOM 1854 CB ASN A 122 8.957 3.462 -27.266 1.00 0.00 C ATOM 1855 CG ASN A 122 9.018 1.953 -27.037 1.00 0.00 C ATOM 1856 OD1 ASN A 122 8.632 1.167 -27.897 1.00 0.00 O ATOM 1857 ND2 ASN A 122 9.500 1.517 -25.883 1.00 0.00 N ATOM 0 H ASN A 122 9.314 5.804 -27.968 1.00 0.00 H new ATOM 0 HA ASN A 122 10.945 3.910 -26.527 1.00 0.00 H new ATOM 0 HB2 ASN A 122 8.452 3.938 -26.425 1.00 0.00 H new ATOM 0 HB3 ASN A 122 8.362 3.671 -28.155 1.00 0.00 H new ATOM 0 HD21 ASN A 122 9.554 0.515 -25.699 1.00 0.00 H new ATOM 0 HD22 ASN A 122 9.817 2.183 -25.178 1.00 0.00 H new ATOM 1864 N ASP A 123 11.150 4.017 -29.763 1.00 0.00 N ATOM 1865 CA ASP A 123 11.650 3.420 -31.006 1.00 0.00 C ATOM 1866 C ASP A 123 13.111 2.969 -30.917 1.00 0.00 C ATOM 1867 O ASP A 123 13.483 1.962 -31.522 1.00 0.00 O ATOM 1868 CB ASP A 123 11.497 4.428 -32.151 1.00 0.00 C ATOM 1869 CG ASP A 123 12.036 3.860 -33.476 1.00 0.00 C ATOM 1870 OD1 ASP A 123 11.371 2.989 -34.081 1.00 0.00 O ATOM 1871 OD2 ASP A 123 13.108 4.309 -33.940 1.00 0.00 O ATOM 0 H ASP A 123 10.844 4.983 -29.876 1.00 0.00 H new ATOM 0 HA ASP A 123 11.054 2.526 -31.190 1.00 0.00 H new ATOM 0 HB2 ASP A 123 10.446 4.692 -32.267 1.00 0.00 H new ATOM 0 HB3 ASP A 123 12.030 5.346 -31.903 1.00 0.00 H new ATOM 1876 N GLY A 124 13.933 3.691 -30.152 1.00 0.00 N ATOM 1877 CA GLY A 124 15.339 3.362 -29.965 1.00 0.00 C ATOM 1878 C GLY A 124 15.486 2.321 -28.858 1.00 0.00 C ATOM 1879 O GLY A 124 15.086 2.573 -27.719 1.00 0.00 O ATOM 0 H GLY A 124 13.636 4.524 -29.644 1.00 0.00 H new ATOM 0 HA2 GLY A 124 15.759 2.978 -30.895 1.00 0.00 H new ATOM 0 HA3 GLY A 124 15.901 4.260 -29.709 1.00 0.00 H new ATOM 1883 N TYR A 125 16.120 1.195 -29.188 1.00 0.00 N ATOM 1884 CA TYR A 125 16.548 0.135 -28.286 1.00 0.00 C ATOM 1885 C TYR A 125 17.971 -0.227 -28.708 1.00 0.00 C ATOM 1886 O TYR A 125 18.221 -0.355 -29.927 1.00 0.00 O ATOM 1887 CB TYR A 125 15.637 -1.106 -28.381 1.00 0.00 C ATOM 1888 CG TYR A 125 14.242 -1.059 -27.767 1.00 0.00 C ATOM 1889 CD1 TYR A 125 13.934 -0.237 -26.663 1.00 0.00 C ATOM 1890 CD2 TYR A 125 13.259 -1.942 -28.258 1.00 0.00 C ATOM 1891 CE1 TYR A 125 12.666 -0.295 -26.057 1.00 0.00 C ATOM 1892 CE2 TYR A 125 11.988 -2.007 -27.659 1.00 0.00 C ATOM 1893 CZ TYR A 125 11.685 -1.184 -26.549 1.00 0.00 C ATOM 1894 OH TYR A 125 10.467 -1.254 -25.940 1.00 0.00 O ATOM 1895 OXT TYR A 125 18.843 -0.346 -27.826 1.00 0.00 O ATOM 0 H TYR A 125 16.362 0.990 -30.157 1.00 0.00 H new ATOM 0 HA TYR A 125 16.497 0.474 -27.251 1.00 0.00 H new ATOM 0 HB2 TYR A 125 15.521 -1.347 -29.438 1.00 0.00 H new ATOM 0 HB3 TYR A 125 16.169 -1.939 -27.921 1.00 0.00 H new ATOM 0 HD1 TYR A 125 14.679 0.444 -26.279 1.00 0.00 H new ATOM 0 HD2 TYR A 125 13.484 -2.575 -29.103 1.00 0.00 H new ATOM 0 HE1 TYR A 125 12.442 0.342 -25.214 1.00 0.00 H new ATOM 0 HE2 TYR A 125 11.243 -2.686 -28.047 1.00 0.00 H new ATOM 0 HH TYR A 125 9.908 -1.913 -26.402 1.00 0.00 H new TER 1905 TYR A 125