USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 592 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 NoAdj-H: A 143 HIS HD1 : A 143 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD Set 1.1: A 119 THR OG1 : rot 160:sc= -0.0012 USER MOD Set 1.2: A 132 MET CE :methyl 143:sc= -0.676 (180deg=-3.14!) USER MOD Single : A 109 SER OG : rot 34:sc= 0.0678 USER MOD Single : A 113 SER OG : rot -41:sc= 0.615 USER MOD Single : A 114 TYR OH : rot 102:sc= 1.07 USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 126 THR OG1 : rot 180:sc= 0 USER MOD Single : A 127 HIS : no HE2:sc= -1.71 K(o=-1.7,f=-4.6!) USER MOD Single : A 131 TYR OH : rot 180:sc= 0 USER MOD Single : A 134 CYS SG : rot 27:sc= 0.00818 USER MOD Single : A 137 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 139 SER OG : rot 180:sc= 0 USER MOD Single : A 142 GLN : amide:sc= -1.45 K(o=-1.4,f=-7!) USER MOD Single : A 147 MET CE :methyl -164:sc= -0.371 (180deg=-0.486) USER MOD Single : A 152 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 153 HIS : no HD1:sc= 0 X(o=0,f=-0.0038) USER MOD Single : A 157 THR OG1 : rot 180:sc= 0 USER MOD Single : A 158 TYR OH : rot -79:sc= 1.29 USER MOD Single : A 164 GLN : amide:sc= -1.38 K(o=-1.4,f=-0.23) USER MOD Single : A 167 ASN : amide:sc= -0.0107 X(o=-0.011,f=-0.0004) USER MOD Single : A 170 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 177 GLN : amide:sc= -3.25 K(o=-3.2,f=-6.7!) USER MOD Single : A 180 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 183 ASN : amide:sc= -2.02! C(o=-2!,f=-4.4!) USER MOD Single : A 184 MET CE :methyl 167:sc= -0.0143 (180deg=-0.213) USER MOD Single : A 185 SER OG : rot -40:sc= 0.442 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 109 -17.184 -3.143 4.763 1.00 0.00 N ATOM 2 CA SER A 109 -16.247 -4.069 4.086 1.00 0.00 C ATOM 3 C SER A 109 -14.929 -3.349 3.741 1.00 0.00 C ATOM 4 O SER A 109 -13.854 -3.773 4.170 1.00 0.00 O ATOM 5 CB SER A 109 -16.907 -4.662 2.820 1.00 0.00 C ATOM 6 OG SER A 109 -18.117 -5.330 3.146 1.00 0.00 O ATOM 0 HA SER A 109 -16.011 -4.889 4.764 1.00 0.00 H new ATOM 0 HB2 SER A 109 -17.108 -3.866 2.103 1.00 0.00 H new ATOM 0 HB3 SER A 109 -16.220 -5.359 2.339 1.00 0.00 H new ATOM 0 HG SER A 109 -18.557 -4.866 3.889 1.00 0.00 H new ATOM 12 N GLU A 110 -15.035 -2.215 3.020 1.00 0.00 N ATOM 13 CA GLU A 110 -13.872 -1.418 2.529 1.00 0.00 C ATOM 14 C GLU A 110 -13.230 -0.546 3.648 1.00 0.00 C ATOM 15 O GLU A 110 -12.575 0.458 3.358 1.00 0.00 O ATOM 16 CB GLU A 110 -14.338 -0.494 1.351 1.00 0.00 C ATOM 17 CG GLU A 110 -14.643 -1.200 0.007 1.00 0.00 C ATOM 18 CD GLU A 110 -15.800 -2.212 0.073 1.00 0.00 C ATOM 19 OE1 GLU A 110 -16.933 -1.801 0.383 1.00 0.00 O ATOM 20 OE2 GLU A 110 -15.575 -3.421 -0.143 1.00 0.00 O ATOM 0 H GLU A 110 -15.935 -1.815 2.755 1.00 0.00 H new ATOM 0 HA GLU A 110 -13.112 -2.122 2.190 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -15.234 0.040 1.668 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -13.565 0.255 1.177 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -14.879 -0.444 -0.742 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -13.744 -1.715 -0.332 1.00 0.00 H new ATOM 27 N ASP A 111 -13.378 -0.969 4.908 1.00 0.00 N ATOM 28 CA ASP A 111 -12.953 -0.202 6.094 1.00 0.00 C ATOM 29 C ASP A 111 -11.598 -0.705 6.625 1.00 0.00 C ATOM 30 O ASP A 111 -11.084 -0.197 7.632 1.00 0.00 O ATOM 31 CB ASP A 111 -14.048 -0.344 7.186 1.00 0.00 C ATOM 32 CG ASP A 111 -15.445 0.073 6.682 1.00 0.00 C ATOM 33 OD1 ASP A 111 -16.158 -0.777 6.097 1.00 0.00 O ATOM 34 OD2 ASP A 111 -15.821 1.255 6.829 1.00 0.00 O ATOM 0 H ASP A 111 -13.802 -1.867 5.141 1.00 0.00 H new ATOM 0 HA ASP A 111 -12.826 0.846 5.822 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -14.083 -1.378 7.528 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -13.779 0.268 8.047 1.00 0.00 H new ATOM 39 N GLY A 112 -11.015 -1.687 5.922 1.00 0.00 N ATOM 40 CA GLY A 112 -9.821 -2.385 6.389 1.00 0.00 C ATOM 41 C GLY A 112 -10.193 -3.640 7.166 1.00 0.00 C ATOM 42 O GLY A 112 -11.145 -4.335 6.781 1.00 0.00 O ATOM 0 H GLY A 112 -11.360 -2.014 5.019 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -9.195 -2.652 5.538 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -9.232 -1.722 7.022 1.00 0.00 H new ATOM 46 N SER A 113 -9.427 -3.939 8.239 1.00 0.00 N ATOM 47 CA SER A 113 -9.690 -5.070 9.159 1.00 0.00 C ATOM 48 C SER A 113 -9.594 -6.448 8.439 1.00 0.00 C ATOM 49 O SER A 113 -10.195 -7.438 8.871 1.00 0.00 O ATOM 50 CB SER A 113 -11.065 -4.875 9.871 1.00 0.00 C ATOM 51 OG SER A 113 -11.306 -5.873 10.851 1.00 0.00 O ATOM 0 H SER A 113 -8.601 -3.397 8.494 1.00 0.00 H new ATOM 0 HA SER A 113 -8.910 -5.075 9.921 1.00 0.00 H new ATOM 0 HB2 SER A 113 -11.093 -3.892 10.341 1.00 0.00 H new ATOM 0 HB3 SER A 113 -11.863 -4.896 9.129 1.00 0.00 H new ATOM 0 HG SER A 113 -11.012 -6.744 10.511 1.00 0.00 H new ATOM 57 N TYR A 114 -8.794 -6.505 7.361 1.00 0.00 N ATOM 58 CA TYR A 114 -8.530 -7.751 6.608 1.00 0.00 C ATOM 59 C TYR A 114 -7.372 -8.537 7.249 1.00 0.00 C ATOM 60 O TYR A 114 -6.562 -7.986 8.008 1.00 0.00 O ATOM 61 CB TYR A 114 -8.182 -7.433 5.129 1.00 0.00 C ATOM 62 CG TYR A 114 -9.300 -6.737 4.340 1.00 0.00 C ATOM 63 CD1 TYR A 114 -10.380 -7.465 3.837 1.00 0.00 C ATOM 64 CD2 TYR A 114 -9.270 -5.362 4.094 1.00 0.00 C ATOM 65 CE1 TYR A 114 -11.381 -6.848 3.115 1.00 0.00 C ATOM 66 CE2 TYR A 114 -10.274 -4.744 3.378 1.00 0.00 C ATOM 67 CZ TYR A 114 -11.320 -5.490 2.891 1.00 0.00 C ATOM 68 OH TYR A 114 -12.304 -4.876 2.161 1.00 0.00 O ATOM 0 H TYR A 114 -8.310 -5.690 6.984 1.00 0.00 H new ATOM 0 HA TYR A 114 -9.434 -8.359 6.639 1.00 0.00 H new ATOM 0 HB2 TYR A 114 -7.294 -6.802 5.107 1.00 0.00 H new ATOM 0 HB3 TYR A 114 -7.924 -8.363 4.623 1.00 0.00 H new ATOM 0 HD1 TYR A 114 -10.433 -8.529 4.016 1.00 0.00 H new ATOM 0 HD2 TYR A 114 -8.447 -4.773 4.471 1.00 0.00 H new ATOM 0 HE1 TYR A 114 -12.207 -7.426 2.728 1.00 0.00 H new ATOM 0 HE2 TYR A 114 -10.238 -3.679 3.201 1.00 0.00 H new ATOM 0 HH TYR A 114 -12.918 -4.410 2.766 1.00 0.00 H new ATOM 78 N GLY A 115 -7.313 -9.833 6.918 1.00 0.00 N ATOM 79 CA GLY A 115 -6.240 -10.725 7.351 1.00 0.00 C ATOM 80 C GLY A 115 -6.184 -11.966 6.481 1.00 0.00 C ATOM 81 O GLY A 115 -6.744 -11.969 5.369 1.00 0.00 O ATOM 0 H GLY A 115 -8.016 -10.291 6.338 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -5.285 -10.201 7.306 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -6.397 -11.012 8.391 1.00 0.00 H new ATOM 85 N THR A 116 -5.520 -13.030 6.972 1.00 0.00 N ATOM 86 CA THR A 116 -5.460 -14.332 6.274 1.00 0.00 C ATOM 87 C THR A 116 -6.863 -14.976 6.220 1.00 0.00 C ATOM 88 O THR A 116 -7.187 -15.747 5.308 1.00 0.00 O ATOM 89 CB THR A 116 -4.453 -15.305 6.968 1.00 0.00 C ATOM 90 OG1 THR A 116 -4.868 -15.561 8.320 1.00 0.00 O ATOM 91 CG2 THR A 116 -3.020 -14.742 6.979 1.00 0.00 C ATOM 0 H THR A 116 -5.013 -13.014 7.857 1.00 0.00 H new ATOM 0 HA THR A 116 -5.109 -14.149 5.258 1.00 0.00 H new ATOM 0 HB THR A 116 -4.450 -16.231 6.392 1.00 0.00 H new ATOM 0 HG1 THR A 116 -4.233 -16.173 8.747 1.00 0.00 H new ATOM 0 HG21 THR A 116 -2.354 -15.451 7.471 1.00 0.00 H new ATOM 0 HG22 THR A 116 -2.685 -14.580 5.955 1.00 0.00 H new ATOM 0 HG23 THR A 116 -3.005 -13.796 7.519 1.00 0.00 H new ATOM 99 N ASP A 117 -7.687 -14.618 7.216 1.00 0.00 N ATOM 100 CA ASP A 117 -9.093 -15.034 7.320 1.00 0.00 C ATOM 101 C ASP A 117 -9.981 -13.810 7.073 1.00 0.00 C ATOM 102 O ASP A 117 -9.898 -12.822 7.811 1.00 0.00 O ATOM 103 CB ASP A 117 -9.378 -15.625 8.726 1.00 0.00 C ATOM 104 CG ASP A 117 -8.443 -16.793 9.066 1.00 0.00 C ATOM 105 OD1 ASP A 117 -8.751 -17.945 8.694 1.00 0.00 O ATOM 106 OD2 ASP A 117 -7.377 -16.558 9.681 1.00 0.00 O ATOM 0 H ASP A 117 -7.389 -14.020 7.986 1.00 0.00 H new ATOM 0 HA ASP A 117 -9.305 -15.804 6.579 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -9.266 -14.842 9.476 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -10.413 -15.965 8.772 1.00 0.00 H new ATOM 111 N VAL A 118 -10.793 -13.862 6.009 1.00 0.00 N ATOM 112 CA VAL A 118 -11.782 -12.817 5.687 1.00 0.00 C ATOM 113 C VAL A 118 -13.101 -13.486 5.281 1.00 0.00 C ATOM 114 O VAL A 118 -13.101 -14.430 4.482 1.00 0.00 O ATOM 115 CB VAL A 118 -11.269 -11.838 4.547 1.00 0.00 C ATOM 116 CG1 VAL A 118 -10.858 -12.606 3.257 1.00 0.00 C ATOM 117 CG2 VAL A 118 -12.315 -10.729 4.234 1.00 0.00 C ATOM 0 H VAL A 118 -10.785 -14.633 5.342 1.00 0.00 H new ATOM 0 HA VAL A 118 -11.937 -12.203 6.574 1.00 0.00 H new ATOM 0 HB VAL A 118 -10.372 -11.351 4.930 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -10.514 -11.896 2.505 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -10.055 -13.305 3.490 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -11.717 -13.155 2.871 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -11.931 -10.077 3.449 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -13.245 -11.190 3.900 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -12.503 -10.142 5.133 1.00 0.00 H new ATOM 127 N THR A 119 -14.224 -13.017 5.852 1.00 0.00 N ATOM 128 CA THR A 119 -15.553 -13.525 5.511 1.00 0.00 C ATOM 129 C THR A 119 -16.081 -12.789 4.269 1.00 0.00 C ATOM 130 O THR A 119 -16.698 -11.715 4.370 1.00 0.00 O ATOM 131 CB THR A 119 -16.556 -13.392 6.708 1.00 0.00 C ATOM 132 OG1 THR A 119 -16.019 -14.074 7.856 1.00 0.00 O ATOM 133 CG2 THR A 119 -17.950 -13.971 6.376 1.00 0.00 C ATOM 0 H THR A 119 -14.231 -12.280 6.557 1.00 0.00 H new ATOM 0 HA THR A 119 -15.465 -14.589 5.290 1.00 0.00 H new ATOM 0 HB THR A 119 -16.683 -12.329 6.914 1.00 0.00 H new ATOM 0 HG1 THR A 119 -16.454 -13.740 8.668 1.00 0.00 H new ATOM 0 HG21 THR A 119 -18.607 -13.854 7.238 1.00 0.00 H new ATOM 0 HG22 THR A 119 -18.372 -13.439 5.523 1.00 0.00 H new ATOM 0 HG23 THR A 119 -17.856 -15.029 6.132 1.00 0.00 H new ATOM 141 N ARG A 120 -15.770 -13.350 3.090 1.00 0.00 N ATOM 142 CA ARG A 120 -16.339 -12.889 1.816 1.00 0.00 C ATOM 143 C ARG A 120 -17.441 -13.879 1.423 1.00 0.00 C ATOM 144 O ARG A 120 -17.265 -14.762 0.574 1.00 0.00 O ATOM 145 CB ARG A 120 -15.241 -12.774 0.717 1.00 0.00 C ATOM 146 CG ARG A 120 -15.726 -12.125 -0.610 1.00 0.00 C ATOM 147 CD ARG A 120 -14.621 -12.035 -1.678 1.00 0.00 C ATOM 148 NE ARG A 120 -15.066 -11.266 -2.866 1.00 0.00 N ATOM 149 CZ ARG A 120 -14.467 -10.163 -3.352 1.00 0.00 C ATOM 150 NH1 ARG A 120 -13.433 -9.616 -2.723 1.00 0.00 N ATOM 151 NH2 ARG A 120 -14.942 -9.586 -4.448 1.00 0.00 N ATOM 0 H ARG A 120 -15.121 -14.131 2.994 1.00 0.00 H new ATOM 0 HA ARG A 120 -16.760 -11.889 1.923 1.00 0.00 H new ATOM 0 HB2 ARG A 120 -14.410 -12.189 1.111 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -14.855 -13.770 0.500 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -16.560 -12.704 -1.007 1.00 0.00 H new ATOM 0 HG3 ARG A 120 -16.103 -11.124 -0.401 1.00 0.00 H new ATOM 0 HD2 ARG A 120 -13.738 -11.562 -1.249 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -14.328 -13.039 -1.984 1.00 0.00 H new ATOM 0 HE ARG A 120 -15.896 -11.601 -3.356 1.00 0.00 H new ATOM 0 HH11 ARG A 120 -13.083 -10.032 -1.860 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -12.989 -8.780 -3.103 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -15.758 -9.978 -4.918 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -14.492 -8.750 -4.820 1.00 0.00 H new ATOM 165 N CYS A 121 -18.543 -13.783 2.169 1.00 0.00 N ATOM 166 CA CYS A 121 -19.764 -14.542 1.906 1.00 0.00 C ATOM 167 C CYS A 121 -20.673 -13.764 0.944 1.00 0.00 C ATOM 168 O CYS A 121 -20.740 -12.533 1.018 1.00 0.00 O ATOM 169 CB CYS A 121 -20.485 -14.862 3.224 1.00 0.00 C ATOM 170 SG CYS A 121 -21.862 -16.047 3.059 1.00 0.00 S ATOM 0 H CYS A 121 -18.612 -13.169 2.981 1.00 0.00 H new ATOM 0 HA CYS A 121 -19.503 -15.487 1.430 1.00 0.00 H new ATOM 0 HB2 CYS A 121 -19.760 -15.262 3.933 1.00 0.00 H new ATOM 0 HB3 CYS A 121 -20.868 -13.934 3.649 1.00 0.00 H new ATOM 175 N ILE A 122 -21.401 -14.505 0.091 1.00 0.00 N ATOM 176 CA ILE A 122 -22.300 -13.937 -0.947 1.00 0.00 C ATOM 177 C ILE A 122 -23.399 -13.007 -0.376 1.00 0.00 C ATOM 178 O ILE A 122 -23.905 -12.146 -1.096 1.00 0.00 O ATOM 179 CB ILE A 122 -22.970 -15.065 -1.841 1.00 0.00 C ATOM 180 CG1 ILE A 122 -23.953 -15.996 -1.035 1.00 0.00 C ATOM 181 CG2 ILE A 122 -21.891 -15.905 -2.567 1.00 0.00 C ATOM 182 CD1 ILE A 122 -23.303 -17.005 -0.089 1.00 0.00 C ATOM 0 H ILE A 122 -21.387 -15.525 0.097 1.00 0.00 H new ATOM 0 HA ILE A 122 -21.647 -13.327 -1.572 1.00 0.00 H new ATOM 0 HB ILE A 122 -23.577 -14.547 -2.583 1.00 0.00 H new ATOM 0 HG12 ILE A 122 -24.624 -15.364 -0.453 1.00 0.00 H new ATOM 0 HG13 ILE A 122 -24.569 -16.543 -1.749 1.00 0.00 H new ATOM 0 HG21 ILE A 122 -22.374 -16.671 -3.173 1.00 0.00 H new ATOM 0 HG22 ILE A 122 -21.296 -15.256 -3.209 1.00 0.00 H new ATOM 0 HG23 ILE A 122 -21.243 -16.380 -1.830 1.00 0.00 H new ATOM 0 HD11 ILE A 122 -24.078 -17.588 0.409 1.00 0.00 H new ATOM 0 HD12 ILE A 122 -22.656 -17.672 -0.658 1.00 0.00 H new ATOM 0 HD13 ILE A 122 -22.711 -16.475 0.657 1.00 0.00 H new ATOM 194 N CYS A 123 -23.764 -13.182 0.917 1.00 0.00 N ATOM 195 CA CYS A 123 -24.847 -12.384 1.558 1.00 0.00 C ATOM 196 C CYS A 123 -24.369 -10.992 2.011 1.00 0.00 C ATOM 197 O CYS A 123 -25.200 -10.127 2.314 1.00 0.00 O ATOM 198 CB CYS A 123 -25.459 -13.146 2.754 1.00 0.00 C ATOM 199 SG CYS A 123 -24.321 -13.409 4.150 1.00 0.00 S ATOM 0 H CYS A 123 -23.329 -13.865 1.538 1.00 0.00 H new ATOM 0 HA CYS A 123 -25.612 -12.235 0.796 1.00 0.00 H new ATOM 0 HB2 CYS A 123 -26.329 -12.596 3.111 1.00 0.00 H new ATOM 0 HB3 CYS A 123 -25.816 -14.115 2.406 1.00 0.00 H new ATOM 204 N GLY A 124 -23.034 -10.789 2.062 1.00 0.00 N ATOM 205 CA GLY A 124 -22.443 -9.510 2.483 1.00 0.00 C ATOM 206 C GLY A 124 -22.652 -9.196 3.971 1.00 0.00 C ATOM 207 O GLY A 124 -22.559 -8.040 4.392 1.00 0.00 O ATOM 0 H GLY A 124 -22.347 -11.501 1.815 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -21.374 -9.526 2.270 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -22.875 -8.706 1.887 1.00 0.00 H new ATOM 211 N PHE A 125 -22.927 -10.247 4.752 1.00 0.00 N ATOM 212 CA PHE A 125 -23.210 -10.168 6.198 1.00 0.00 C ATOM 213 C PHE A 125 -22.205 -11.075 6.927 1.00 0.00 C ATOM 214 O PHE A 125 -21.702 -12.026 6.326 1.00 0.00 O ATOM 215 CB PHE A 125 -24.680 -10.625 6.440 1.00 0.00 C ATOM 216 CG PHE A 125 -25.172 -10.581 7.895 1.00 0.00 C ATOM 217 CD1 PHE A 125 -25.079 -9.412 8.652 1.00 0.00 C ATOM 218 CD2 PHE A 125 -25.738 -11.706 8.501 1.00 0.00 C ATOM 219 CE1 PHE A 125 -25.535 -9.372 9.960 1.00 0.00 C ATOM 220 CE2 PHE A 125 -26.197 -11.663 9.805 1.00 0.00 C ATOM 221 CZ PHE A 125 -26.093 -10.496 10.536 1.00 0.00 C ATOM 0 H PHE A 125 -22.961 -11.201 4.392 1.00 0.00 H new ATOM 0 HA PHE A 125 -23.104 -9.152 6.578 1.00 0.00 H new ATOM 0 HB2 PHE A 125 -25.337 -9.999 5.837 1.00 0.00 H new ATOM 0 HB3 PHE A 125 -24.787 -11.646 6.073 1.00 0.00 H new ATOM 0 HD1 PHE A 125 -24.645 -8.526 8.212 1.00 0.00 H new ATOM 0 HD2 PHE A 125 -25.818 -12.626 7.941 1.00 0.00 H new ATOM 0 HE1 PHE A 125 -25.454 -8.459 10.531 1.00 0.00 H new ATOM 0 HE2 PHE A 125 -26.637 -12.542 10.252 1.00 0.00 H new ATOM 0 HZ PHE A 125 -26.447 -10.463 11.556 1.00 0.00 H new ATOM 231 N THR A 126 -21.846 -10.719 8.170 1.00 0.00 N ATOM 232 CA THR A 126 -21.062 -11.588 9.071 1.00 0.00 C ATOM 233 C THR A 126 -22.009 -12.296 10.059 1.00 0.00 C ATOM 234 O THR A 126 -22.985 -11.697 10.517 1.00 0.00 O ATOM 235 CB THR A 126 -19.981 -10.768 9.857 1.00 0.00 C ATOM 236 OG1 THR A 126 -20.612 -9.710 10.603 1.00 0.00 O ATOM 237 CG2 THR A 126 -18.917 -10.163 8.914 1.00 0.00 C ATOM 0 H THR A 126 -22.090 -9.819 8.583 1.00 0.00 H new ATOM 0 HA THR A 126 -20.543 -12.330 8.465 1.00 0.00 H new ATOM 0 HB THR A 126 -19.479 -11.458 10.536 1.00 0.00 H new ATOM 0 HG1 THR A 126 -19.931 -9.204 11.093 1.00 0.00 H new ATOM 0 HG21 THR A 126 -18.188 -9.603 9.500 1.00 0.00 H new ATOM 0 HG22 THR A 126 -18.411 -10.964 8.375 1.00 0.00 H new ATOM 0 HG23 THR A 126 -19.400 -9.494 8.202 1.00 0.00 H new ATOM 245 N HIS A 127 -21.702 -13.555 10.404 1.00 0.00 N ATOM 246 CA HIS A 127 -22.524 -14.349 11.341 1.00 0.00 C ATOM 247 C HIS A 127 -21.989 -14.171 12.770 1.00 0.00 C ATOM 248 O HIS A 127 -20.773 -14.161 12.981 1.00 0.00 O ATOM 249 CB HIS A 127 -22.493 -15.832 10.912 1.00 0.00 C ATOM 250 CG HIS A 127 -23.535 -16.714 11.528 1.00 0.00 C ATOM 251 ND1 HIS A 127 -24.885 -16.529 11.342 1.00 0.00 N ATOM 252 CD2 HIS A 127 -23.408 -17.841 12.270 1.00 0.00 C ATOM 253 CE1 HIS A 127 -25.525 -17.521 11.960 1.00 0.00 C ATOM 254 NE2 HIS A 127 -24.672 -18.344 12.540 1.00 0.00 N ATOM 0 H HIS A 127 -20.886 -14.052 10.048 1.00 0.00 H new ATOM 0 HA HIS A 127 -23.558 -14.005 11.320 1.00 0.00 H new ATOM 0 HB2 HIS A 127 -22.600 -15.879 9.828 1.00 0.00 H new ATOM 0 HB3 HIS A 127 -21.511 -16.239 11.153 1.00 0.00 H new ATOM 0 HD1 HIS A 127 -25.320 -15.767 10.822 1.00 0.00 H new ATOM 0 HD2 HIS A 127 -22.475 -18.276 12.597 1.00 0.00 H new ATOM 0 HE1 HIS A 127 -26.599 -17.636 11.983 1.00 0.00 H new ATOM 262 N ASP A 128 -22.901 -14.037 13.746 1.00 0.00 N ATOM 263 CA ASP A 128 -22.546 -13.728 15.148 1.00 0.00 C ATOM 264 C ASP A 128 -22.324 -15.007 15.988 1.00 0.00 C ATOM 265 O ASP A 128 -21.493 -15.011 16.904 1.00 0.00 O ATOM 266 CB ASP A 128 -23.657 -12.846 15.779 1.00 0.00 C ATOM 267 CG ASP A 128 -23.383 -12.482 17.253 1.00 0.00 C ATOM 268 OD1 ASP A 128 -22.579 -11.561 17.512 1.00 0.00 O ATOM 269 OD2 ASP A 128 -23.951 -13.129 18.161 1.00 0.00 O ATOM 0 H ASP A 128 -23.904 -14.139 13.590 1.00 0.00 H new ATOM 0 HA ASP A 128 -21.602 -13.184 15.146 1.00 0.00 H new ATOM 0 HB2 ASP A 128 -23.757 -11.929 15.198 1.00 0.00 H new ATOM 0 HB3 ASP A 128 -24.610 -13.371 15.713 1.00 0.00 H new ATOM 274 N ASP A 129 -23.062 -16.081 15.651 1.00 0.00 N ATOM 275 CA ASP A 129 -23.128 -17.321 16.466 1.00 0.00 C ATOM 276 C ASP A 129 -21.748 -17.983 16.628 1.00 0.00 C ATOM 277 O ASP A 129 -21.358 -18.386 17.730 1.00 0.00 O ATOM 278 CB ASP A 129 -24.093 -18.351 15.819 1.00 0.00 C ATOM 279 CG ASP A 129 -25.555 -17.905 15.736 1.00 0.00 C ATOM 280 OD1 ASP A 129 -25.823 -16.764 15.288 1.00 0.00 O ATOM 281 OD2 ASP A 129 -26.455 -18.709 16.073 1.00 0.00 O ATOM 0 H ASP A 129 -23.632 -16.119 14.806 1.00 0.00 H new ATOM 0 HA ASP A 129 -23.493 -17.025 17.449 1.00 0.00 H new ATOM 0 HB2 ASP A 129 -23.740 -18.575 14.813 1.00 0.00 H new ATOM 0 HB3 ASP A 129 -24.044 -19.279 16.388 1.00 0.00 H new ATOM 286 N GLY A 130 -21.041 -18.106 15.502 1.00 0.00 N ATOM 287 CA GLY A 130 -19.774 -18.840 15.437 1.00 0.00 C ATOM 288 C GLY A 130 -19.877 -20.034 14.509 1.00 0.00 C ATOM 289 O GLY A 130 -18.862 -20.658 14.184 1.00 0.00 O ATOM 0 H GLY A 130 -21.329 -17.701 14.611 1.00 0.00 H new ATOM 0 HA2 GLY A 130 -18.983 -18.175 15.091 1.00 0.00 H new ATOM 0 HA3 GLY A 130 -19.494 -19.176 16.435 1.00 0.00 H new ATOM 293 N TYR A 131 -21.123 -20.346 14.076 1.00 0.00 N ATOM 294 CA TYR A 131 -21.418 -21.508 13.226 1.00 0.00 C ATOM 295 C TYR A 131 -21.080 -21.134 11.780 1.00 0.00 C ATOM 296 O TYR A 131 -21.941 -20.678 11.009 1.00 0.00 O ATOM 297 CB TYR A 131 -22.906 -21.949 13.372 1.00 0.00 C ATOM 298 CG TYR A 131 -23.271 -22.543 14.749 1.00 0.00 C ATOM 299 CD1 TYR A 131 -23.235 -21.756 15.901 1.00 0.00 C ATOM 300 CD2 TYR A 131 -23.658 -23.880 14.890 1.00 0.00 C ATOM 301 CE1 TYR A 131 -23.576 -22.274 17.132 1.00 0.00 C ATOM 302 CE2 TYR A 131 -23.994 -24.399 16.126 1.00 0.00 C ATOM 303 CZ TYR A 131 -23.950 -23.588 17.240 1.00 0.00 C ATOM 304 OH TYR A 131 -24.292 -24.097 18.473 1.00 0.00 O ATOM 0 H TYR A 131 -21.947 -19.793 14.311 1.00 0.00 H new ATOM 0 HA TYR A 131 -20.813 -22.361 13.535 1.00 0.00 H new ATOM 0 HB2 TYR A 131 -23.546 -21.088 13.182 1.00 0.00 H new ATOM 0 HB3 TYR A 131 -23.129 -22.688 12.602 1.00 0.00 H new ATOM 0 HD1 TYR A 131 -22.934 -20.721 15.827 1.00 0.00 H new ATOM 0 HD2 TYR A 131 -23.695 -24.517 14.019 1.00 0.00 H new ATOM 0 HE1 TYR A 131 -23.548 -21.645 18.010 1.00 0.00 H new ATOM 0 HE2 TYR A 131 -24.289 -25.434 16.219 1.00 0.00 H new ATOM 0 HH TYR A 131 -24.534 -25.042 18.381 1.00 0.00 H new ATOM 314 N MET A 132 -19.794 -21.294 11.450 1.00 0.00 N ATOM 315 CA MET A 132 -19.208 -20.807 10.198 1.00 0.00 C ATOM 316 C MET A 132 -18.136 -21.783 9.703 1.00 0.00 C ATOM 317 O MET A 132 -17.567 -22.552 10.476 1.00 0.00 O ATOM 318 CB MET A 132 -18.565 -19.404 10.398 1.00 0.00 C ATOM 319 CG MET A 132 -19.532 -18.281 10.820 1.00 0.00 C ATOM 320 SD MET A 132 -18.760 -16.651 10.765 1.00 0.00 S ATOM 321 CE MET A 132 -18.192 -16.619 9.068 1.00 0.00 C ATOM 0 H MET A 132 -19.123 -21.771 12.052 1.00 0.00 H new ATOM 0 HA MET A 132 -20.006 -20.731 9.460 1.00 0.00 H new ATOM 0 HB2 MET A 132 -17.782 -19.487 11.152 1.00 0.00 H new ATOM 0 HB3 MET A 132 -18.080 -19.110 9.467 1.00 0.00 H new ATOM 0 HG2 MET A 132 -20.403 -18.290 10.164 1.00 0.00 H new ATOM 0 HG3 MET A 132 -19.892 -18.476 11.830 1.00 0.00 H new ATOM 0 HE1 MET A 132 -18.306 -15.613 8.665 1.00 0.00 H new ATOM 0 HE2 MET A 132 -17.142 -16.909 9.030 1.00 0.00 H new ATOM 0 HE3 MET A 132 -18.782 -17.316 8.474 1.00 0.00 H new ATOM 331 N ILE A 133 -17.866 -21.703 8.403 1.00 0.00 N ATOM 332 CA ILE A 133 -16.875 -22.533 7.697 1.00 0.00 C ATOM 333 C ILE A 133 -16.124 -21.648 6.700 1.00 0.00 C ATOM 334 O ILE A 133 -16.583 -20.556 6.374 1.00 0.00 O ATOM 335 CB ILE A 133 -17.544 -23.742 6.913 1.00 0.00 C ATOM 336 CG1 ILE A 133 -18.627 -23.255 5.887 1.00 0.00 C ATOM 337 CG2 ILE A 133 -18.128 -24.795 7.875 1.00 0.00 C ATOM 338 CD1 ILE A 133 -19.961 -22.824 6.453 1.00 0.00 C ATOM 0 H ILE A 133 -18.340 -21.042 7.788 1.00 0.00 H new ATOM 0 HA ILE A 133 -16.201 -22.959 8.441 1.00 0.00 H new ATOM 0 HB ILE A 133 -16.747 -24.219 6.343 1.00 0.00 H new ATOM 0 HG12 ILE A 133 -18.211 -22.419 5.326 1.00 0.00 H new ATOM 0 HG13 ILE A 133 -18.805 -24.060 5.174 1.00 0.00 H new ATOM 0 HG21 ILE A 133 -18.576 -25.605 7.299 1.00 0.00 H new ATOM 0 HG22 ILE A 133 -17.332 -25.194 8.504 1.00 0.00 H new ATOM 0 HG23 ILE A 133 -18.889 -24.332 8.503 1.00 0.00 H new ATOM 0 HD11 ILE A 133 -20.617 -22.511 5.641 1.00 0.00 H new ATOM 0 HD12 ILE A 133 -20.416 -23.658 6.987 1.00 0.00 H new ATOM 0 HD13 ILE A 133 -19.813 -21.991 7.140 1.00 0.00 H new ATOM 350 N CYS A 134 -14.970 -22.110 6.227 1.00 0.00 N ATOM 351 CA CYS A 134 -14.221 -21.441 5.154 1.00 0.00 C ATOM 352 C CYS A 134 -14.157 -22.360 3.935 1.00 0.00 C ATOM 353 O CYS A 134 -13.974 -23.576 4.087 1.00 0.00 O ATOM 354 CB CYS A 134 -12.803 -21.069 5.640 1.00 0.00 C ATOM 355 SG CYS A 134 -11.856 -22.467 6.290 1.00 0.00 S ATOM 0 H CYS A 134 -14.523 -22.959 6.573 1.00 0.00 H new ATOM 0 HA CYS A 134 -14.730 -20.519 4.875 1.00 0.00 H new ATOM 0 HB2 CYS A 134 -12.252 -20.624 4.812 1.00 0.00 H new ATOM 0 HB3 CYS A 134 -12.884 -20.307 6.415 1.00 0.00 H new ATOM 0 HG CYS A 134 -12.271 -23.567 5.735 1.00 0.00 H new ATOM 361 N CYS A 135 -14.370 -21.796 2.724 1.00 0.00 N ATOM 362 CA CYS A 135 -14.209 -22.547 1.471 1.00 0.00 C ATOM 363 C CYS A 135 -12.763 -22.987 1.350 1.00 0.00 C ATOM 364 O CYS A 135 -11.904 -22.143 1.194 1.00 0.00 O ATOM 365 CB CYS A 135 -14.621 -21.730 0.222 1.00 0.00 C ATOM 366 SG CYS A 135 -14.620 -22.743 -1.301 1.00 0.00 S ATOM 0 H CYS A 135 -14.653 -20.825 2.595 1.00 0.00 H new ATOM 0 HA CYS A 135 -14.875 -23.409 1.510 1.00 0.00 H new ATOM 0 HB2 CYS A 135 -15.615 -21.311 0.376 1.00 0.00 H new ATOM 0 HB3 CYS A 135 -13.937 -20.890 0.098 1.00 0.00 H new ATOM 371 N ASP A 136 -12.518 -24.302 1.460 1.00 0.00 N ATOM 372 CA ASP A 136 -11.166 -24.888 1.478 1.00 0.00 C ATOM 373 C ASP A 136 -10.315 -24.411 0.277 1.00 0.00 C ATOM 374 O ASP A 136 -9.138 -24.069 0.427 1.00 0.00 O ATOM 375 CB ASP A 136 -11.277 -26.437 1.506 1.00 0.00 C ATOM 376 CG ASP A 136 -9.911 -27.146 1.580 1.00 0.00 C ATOM 377 OD1 ASP A 136 -9.153 -26.885 2.539 1.00 0.00 O ATOM 378 OD2 ASP A 136 -9.588 -27.962 0.688 1.00 0.00 O ATOM 0 H ASP A 136 -13.260 -24.997 1.540 1.00 0.00 H new ATOM 0 HA ASP A 136 -10.653 -24.548 2.378 1.00 0.00 H new ATOM 0 HB2 ASP A 136 -11.880 -26.735 2.364 1.00 0.00 H new ATOM 0 HB3 ASP A 136 -11.805 -26.772 0.613 1.00 0.00 H new ATOM 383 N LYS A 137 -10.960 -24.328 -0.897 1.00 0.00 N ATOM 384 CA LYS A 137 -10.297 -23.998 -2.172 1.00 0.00 C ATOM 385 C LYS A 137 -10.104 -22.463 -2.367 1.00 0.00 C ATOM 386 O LYS A 137 -9.320 -22.036 -3.215 1.00 0.00 O ATOM 387 CB LYS A 137 -11.135 -24.602 -3.332 1.00 0.00 C ATOM 388 CG LYS A 137 -10.348 -24.861 -4.634 1.00 0.00 C ATOM 389 CD LYS A 137 -11.211 -25.557 -5.711 1.00 0.00 C ATOM 390 CE LYS A 137 -10.380 -26.188 -6.844 1.00 0.00 C ATOM 391 NZ LYS A 137 -9.603 -25.186 -7.612 1.00 0.00 N ATOM 0 H LYS A 137 -11.963 -24.489 -0.991 1.00 0.00 H new ATOM 0 HA LYS A 137 -9.296 -24.428 -2.164 1.00 0.00 H new ATOM 0 HB2 LYS A 137 -11.571 -25.542 -2.995 1.00 0.00 H new ATOM 0 HB3 LYS A 137 -11.963 -23.928 -3.553 1.00 0.00 H new ATOM 0 HG2 LYS A 137 -9.976 -23.914 -5.026 1.00 0.00 H new ATOM 0 HG3 LYS A 137 -9.478 -25.479 -4.413 1.00 0.00 H new ATOM 0 HD2 LYS A 137 -11.815 -26.332 -5.238 1.00 0.00 H new ATOM 0 HD3 LYS A 137 -11.902 -24.830 -6.138 1.00 0.00 H new ATOM 0 HE2 LYS A 137 -9.697 -26.924 -6.421 1.00 0.00 H new ATOM 0 HE3 LYS A 137 -11.045 -26.723 -7.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 -9.063 -25.665 -8.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 -10.253 -24.497 -8.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 -8.947 -24.692 -6.974 1.00 0.00 H new ATOM 405 N CYS A 138 -10.834 -21.644 -1.583 1.00 0.00 N ATOM 406 CA CYS A 138 -10.780 -20.150 -1.685 1.00 0.00 C ATOM 407 C CYS A 138 -10.086 -19.499 -0.466 1.00 0.00 C ATOM 408 O CYS A 138 -9.607 -18.368 -0.568 1.00 0.00 O ATOM 409 CB CYS A 138 -12.207 -19.561 -1.824 1.00 0.00 C ATOM 410 SG CYS A 138 -13.034 -19.927 -3.395 1.00 0.00 S ATOM 0 H CYS A 138 -11.474 -21.983 -0.865 1.00 0.00 H new ATOM 0 HA CYS A 138 -10.191 -19.923 -2.574 1.00 0.00 H new ATOM 0 HB2 CYS A 138 -12.822 -19.942 -1.009 1.00 0.00 H new ATOM 0 HB3 CYS A 138 -12.151 -18.479 -1.703 1.00 0.00 H new ATOM 415 N SER A 139 -10.095 -20.216 0.673 1.00 0.00 N ATOM 416 CA SER A 139 -9.577 -19.758 1.985 1.00 0.00 C ATOM 417 C SER A 139 -10.384 -18.570 2.590 1.00 0.00 C ATOM 418 O SER A 139 -9.953 -17.969 3.584 1.00 0.00 O ATOM 419 CB SER A 139 -8.063 -19.436 1.892 1.00 0.00 C ATOM 420 OG SER A 139 -7.339 -20.547 1.385 1.00 0.00 O ATOM 0 H SER A 139 -10.475 -21.162 0.711 1.00 0.00 H new ATOM 0 HA SER A 139 -9.714 -20.585 2.681 1.00 0.00 H new ATOM 0 HB2 SER A 139 -7.910 -18.572 1.246 1.00 0.00 H new ATOM 0 HB3 SER A 139 -7.683 -19.168 2.878 1.00 0.00 H new ATOM 0 HG SER A 139 -6.387 -20.321 1.333 1.00 0.00 H new ATOM 426 N VAL A 140 -11.570 -18.254 2.016 1.00 0.00 N ATOM 427 CA VAL A 140 -12.476 -17.209 2.559 1.00 0.00 C ATOM 428 C VAL A 140 -13.651 -17.870 3.302 1.00 0.00 C ATOM 429 O VAL A 140 -14.103 -18.956 2.920 1.00 0.00 O ATOM 430 CB VAL A 140 -13.027 -16.237 1.441 1.00 0.00 C ATOM 431 CG1 VAL A 140 -11.872 -15.502 0.718 1.00 0.00 C ATOM 432 CG2 VAL A 140 -13.935 -16.977 0.423 1.00 0.00 C ATOM 0 H VAL A 140 -11.924 -18.709 1.174 1.00 0.00 H new ATOM 0 HA VAL A 140 -11.889 -16.603 3.249 1.00 0.00 H new ATOM 0 HB VAL A 140 -13.643 -15.491 1.943 1.00 0.00 H new ATOM 0 HG11 VAL A 140 -12.283 -14.841 -0.045 1.00 0.00 H new ATOM 0 HG12 VAL A 140 -11.306 -14.914 1.441 1.00 0.00 H new ATOM 0 HG13 VAL A 140 -11.213 -16.233 0.249 1.00 0.00 H new ATOM 0 HG21 VAL A 140 -14.291 -16.271 -0.327 1.00 0.00 H new ATOM 0 HG22 VAL A 140 -13.365 -17.768 -0.065 1.00 0.00 H new ATOM 0 HG23 VAL A 140 -14.787 -17.413 0.945 1.00 0.00 H new ATOM 442 N TRP A 141 -14.137 -17.199 4.357 1.00 0.00 N ATOM 443 CA TRP A 141 -15.214 -17.710 5.223 1.00 0.00 C ATOM 444 C TRP A 141 -16.611 -17.381 4.654 1.00 0.00 C ATOM 445 O TRP A 141 -16.855 -16.279 4.150 1.00 0.00 O ATOM 446 CB TRP A 141 -15.061 -17.153 6.665 1.00 0.00 C ATOM 447 CG TRP A 141 -13.848 -17.684 7.395 1.00 0.00 C ATOM 448 CD1 TRP A 141 -12.539 -17.367 7.163 1.00 0.00 C ATOM 449 CD2 TRP A 141 -13.844 -18.635 8.471 1.00 0.00 C ATOM 450 NE1 TRP A 141 -11.731 -18.070 8.014 1.00 0.00 N ATOM 451 CE2 TRP A 141 -12.504 -18.854 8.828 1.00 0.00 C ATOM 452 CE3 TRP A 141 -14.847 -19.330 9.162 1.00 0.00 C ATOM 453 CZ2 TRP A 141 -12.134 -19.732 9.844 1.00 0.00 C ATOM 454 CZ3 TRP A 141 -14.483 -20.202 10.171 1.00 0.00 C ATOM 455 CH2 TRP A 141 -13.134 -20.394 10.507 1.00 0.00 C ATOM 0 H TRP A 141 -13.793 -16.280 4.636 1.00 0.00 H new ATOM 0 HA TRP A 141 -15.125 -18.796 5.256 1.00 0.00 H new ATOM 0 HB2 TRP A 141 -15.000 -16.066 6.621 1.00 0.00 H new ATOM 0 HB3 TRP A 141 -15.955 -17.399 7.237 1.00 0.00 H new ATOM 0 HD1 TRP A 141 -12.194 -16.665 6.418 1.00 0.00 H new ATOM 0 HE1 TRP A 141 -10.713 -18.018 8.038 1.00 0.00 H new ATOM 0 HE3 TRP A 141 -15.887 -19.186 8.910 1.00 0.00 H new ATOM 0 HZ2 TRP A 141 -11.096 -19.886 10.100 1.00 0.00 H new ATOM 0 HZ3 TRP A 141 -15.248 -20.743 10.708 1.00 0.00 H new ATOM 0 HH2 TRP A 141 -12.879 -21.077 11.304 1.00 0.00 H new ATOM 466 N GLN A 142 -17.503 -18.381 4.714 1.00 0.00 N ATOM 467 CA GLN A 142 -18.922 -18.276 4.350 1.00 0.00 C ATOM 468 C GLN A 142 -19.775 -18.951 5.440 1.00 0.00 C ATOM 469 O GLN A 142 -19.247 -19.429 6.455 1.00 0.00 O ATOM 470 CB GLN A 142 -19.178 -18.920 2.960 1.00 0.00 C ATOM 471 CG GLN A 142 -18.520 -18.182 1.774 1.00 0.00 C ATOM 472 CD GLN A 142 -18.593 -18.965 0.466 1.00 0.00 C ATOM 473 OE1 GLN A 142 -17.685 -19.738 0.146 1.00 0.00 O ATOM 474 NE2 GLN A 142 -19.680 -18.794 -0.281 1.00 0.00 N ATOM 0 H GLN A 142 -17.246 -19.317 5.028 1.00 0.00 H new ATOM 0 HA GLN A 142 -19.203 -17.225 4.281 1.00 0.00 H new ATOM 0 HB2 GLN A 142 -18.813 -19.947 2.978 1.00 0.00 H new ATOM 0 HB3 GLN A 142 -20.254 -18.967 2.789 1.00 0.00 H new ATOM 0 HG2 GLN A 142 -19.007 -17.216 1.640 1.00 0.00 H new ATOM 0 HG3 GLN A 142 -17.475 -17.982 2.013 1.00 0.00 H new ATOM 0 HE21 GLN A 142 -20.408 -18.145 0.019 1.00 0.00 H new ATOM 0 HE22 GLN A 142 -19.786 -19.311 -1.154 1.00 0.00 H new ATOM 483 N HIS A 143 -21.106 -18.975 5.242 1.00 0.00 N ATOM 484 CA HIS A 143 -22.053 -19.421 6.281 1.00 0.00 C ATOM 485 C HIS A 143 -22.746 -20.727 5.895 1.00 0.00 C ATOM 486 O HIS A 143 -23.020 -20.980 4.701 1.00 0.00 O ATOM 487 CB HIS A 143 -23.090 -18.320 6.548 1.00 0.00 C ATOM 488 CG HIS A 143 -22.463 -17.018 6.959 1.00 0.00 C ATOM 489 ND1 HIS A 143 -22.865 -15.827 6.413 1.00 0.00 N ATOM 490 CD2 HIS A 143 -21.478 -16.790 7.851 1.00 0.00 C ATOM 491 CE1 HIS A 143 -22.137 -14.915 7.008 1.00 0.00 C ATOM 492 NE2 HIS A 143 -21.275 -15.444 7.880 1.00 0.00 N ATOM 0 H HIS A 143 -21.551 -18.690 4.370 1.00 0.00 H new ATOM 0 HA HIS A 143 -21.487 -19.613 7.192 1.00 0.00 H new ATOM 0 HB2 HIS A 143 -23.686 -18.163 5.649 1.00 0.00 H new ATOM 0 HB3 HIS A 143 -23.773 -18.652 7.330 1.00 0.00 H new ATOM 0 HD2 HIS A 143 -20.951 -17.533 8.431 1.00 0.00 H new ATOM 0 HE1 HIS A 143 -22.224 -13.856 6.815 1.00 0.00 H new ATOM 0 HE2 HIS A 143 -20.599 -14.940 8.454 1.00 0.00 H new ATOM 499 N ILE A 144 -23.013 -21.528 6.940 1.00 0.00 N ATOM 500 CA ILE A 144 -23.669 -22.850 6.839 1.00 0.00 C ATOM 501 C ILE A 144 -25.044 -22.741 6.144 1.00 0.00 C ATOM 502 O ILE A 144 -25.247 -23.295 5.052 1.00 0.00 O ATOM 503 CB ILE A 144 -23.828 -23.478 8.280 1.00 0.00 C ATOM 504 CG1 ILE A 144 -22.433 -23.670 8.957 1.00 0.00 C ATOM 505 CG2 ILE A 144 -24.609 -24.807 8.232 1.00 0.00 C ATOM 506 CD1 ILE A 144 -22.479 -24.232 10.366 1.00 0.00 C ATOM 0 H ILE A 144 -22.776 -21.273 7.899 1.00 0.00 H new ATOM 0 HA ILE A 144 -23.041 -23.500 6.230 1.00 0.00 H new ATOM 0 HB ILE A 144 -24.407 -22.781 8.886 1.00 0.00 H new ATOM 0 HG12 ILE A 144 -21.832 -24.334 8.336 1.00 0.00 H new ATOM 0 HG13 ILE A 144 -21.922 -22.708 8.982 1.00 0.00 H new ATOM 0 HG21 ILE A 144 -24.700 -25.212 9.240 1.00 0.00 H new ATOM 0 HG22 ILE A 144 -25.603 -24.630 7.821 1.00 0.00 H new ATOM 0 HG23 ILE A 144 -24.077 -25.519 7.602 1.00 0.00 H new ATOM 0 HD11 ILE A 144 -21.464 -24.329 10.752 1.00 0.00 H new ATOM 0 HD12 ILE A 144 -23.048 -23.559 11.008 1.00 0.00 H new ATOM 0 HD13 ILE A 144 -22.957 -25.211 10.352 1.00 0.00 H new ATOM 518 N ASP A 145 -25.946 -21.970 6.773 1.00 0.00 N ATOM 519 CA ASP A 145 -27.328 -21.737 6.305 1.00 0.00 C ATOM 520 C ASP A 145 -27.358 -21.183 4.867 1.00 0.00 C ATOM 521 O ASP A 145 -28.243 -21.533 4.073 1.00 0.00 O ATOM 522 CB ASP A 145 -28.033 -20.741 7.266 1.00 0.00 C ATOM 523 CG ASP A 145 -27.326 -19.366 7.318 1.00 0.00 C ATOM 524 OD1 ASP A 145 -26.234 -19.266 7.935 1.00 0.00 O ATOM 525 OD2 ASP A 145 -27.818 -18.402 6.700 1.00 0.00 O ATOM 0 H ASP A 145 -25.733 -21.479 7.641 1.00 0.00 H new ATOM 0 HA ASP A 145 -27.852 -22.693 6.302 1.00 0.00 H new ATOM 0 HB2 ASP A 145 -29.066 -20.603 6.947 1.00 0.00 H new ATOM 0 HB3 ASP A 145 -28.064 -21.168 8.268 1.00 0.00 H new ATOM 530 N CYS A 146 -26.367 -20.319 4.564 1.00 0.00 N ATOM 531 CA CYS A 146 -26.246 -19.645 3.267 1.00 0.00 C ATOM 532 C CYS A 146 -26.119 -20.642 2.108 1.00 0.00 C ATOM 533 O CYS A 146 -26.910 -20.598 1.170 1.00 0.00 O ATOM 534 CB CYS A 146 -25.055 -18.657 3.274 1.00 0.00 C ATOM 535 SG CYS A 146 -25.395 -17.146 4.216 1.00 0.00 S ATOM 0 H CYS A 146 -25.627 -20.072 5.221 1.00 0.00 H new ATOM 0 HA CYS A 146 -27.166 -19.082 3.108 1.00 0.00 H new ATOM 0 HB2 CYS A 146 -24.181 -19.153 3.696 1.00 0.00 H new ATOM 0 HB3 CYS A 146 -24.805 -18.390 2.247 1.00 0.00 H new ATOM 540 N MET A 147 -25.151 -21.565 2.203 1.00 0.00 N ATOM 541 CA MET A 147 -24.857 -22.506 1.096 1.00 0.00 C ATOM 542 C MET A 147 -25.898 -23.660 1.004 1.00 0.00 C ATOM 543 O MET A 147 -25.814 -24.505 0.105 1.00 0.00 O ATOM 544 CB MET A 147 -23.414 -23.064 1.263 1.00 0.00 C ATOM 545 CG MET A 147 -22.760 -23.626 -0.027 1.00 0.00 C ATOM 546 SD MET A 147 -21.694 -22.438 -0.912 1.00 0.00 S ATOM 547 CE MET A 147 -22.786 -21.074 -1.340 1.00 0.00 C ATOM 0 H MET A 147 -24.559 -21.685 3.025 1.00 0.00 H new ATOM 0 HA MET A 147 -24.928 -21.957 0.157 1.00 0.00 H new ATOM 0 HB2 MET A 147 -22.779 -22.269 1.654 1.00 0.00 H new ATOM 0 HB3 MET A 147 -23.434 -23.855 2.013 1.00 0.00 H new ATOM 0 HG2 MET A 147 -22.167 -24.503 0.233 1.00 0.00 H new ATOM 0 HG3 MET A 147 -23.547 -23.962 -0.702 1.00 0.00 H new ATOM 0 HE1 MET A 147 -22.315 -20.457 -2.105 1.00 0.00 H new ATOM 0 HE2 MET A 147 -23.728 -21.468 -1.721 1.00 0.00 H new ATOM 0 HE3 MET A 147 -22.977 -20.469 -0.454 1.00 0.00 H new ATOM 557 N GLY A 148 -26.880 -23.670 1.935 1.00 0.00 N ATOM 558 CA GLY A 148 -27.926 -24.699 1.966 1.00 0.00 C ATOM 559 C GLY A 148 -27.484 -25.927 2.749 1.00 0.00 C ATOM 560 O GLY A 148 -27.899 -27.054 2.461 1.00 0.00 O ATOM 0 H GLY A 148 -26.963 -22.971 2.674 1.00 0.00 H new ATOM 0 HA2 GLY A 148 -28.829 -24.286 2.415 1.00 0.00 H new ATOM 0 HA3 GLY A 148 -28.181 -24.990 0.947 1.00 0.00 H new ATOM 564 N ILE A 149 -26.601 -25.694 3.731 1.00 0.00 N ATOM 565 CA ILE A 149 -26.046 -26.737 4.612 1.00 0.00 C ATOM 566 C ILE A 149 -26.787 -26.732 5.969 1.00 0.00 C ATOM 567 O ILE A 149 -27.263 -25.679 6.414 1.00 0.00 O ATOM 568 CB ILE A 149 -24.502 -26.480 4.818 1.00 0.00 C ATOM 569 CG1 ILE A 149 -23.762 -26.444 3.445 1.00 0.00 C ATOM 570 CG2 ILE A 149 -23.863 -27.523 5.762 1.00 0.00 C ATOM 571 CD1 ILE A 149 -22.273 -26.168 3.542 1.00 0.00 C ATOM 0 H ILE A 149 -26.245 -24.761 3.940 1.00 0.00 H new ATOM 0 HA ILE A 149 -26.183 -27.716 4.152 1.00 0.00 H new ATOM 0 HB ILE A 149 -24.394 -25.506 5.296 1.00 0.00 H new ATOM 0 HG12 ILE A 149 -23.910 -27.399 2.941 1.00 0.00 H new ATOM 0 HG13 ILE A 149 -24.221 -25.679 2.819 1.00 0.00 H new ATOM 0 HG21 ILE A 149 -22.800 -27.308 5.875 1.00 0.00 H new ATOM 0 HG22 ILE A 149 -24.349 -27.477 6.737 1.00 0.00 H new ATOM 0 HG23 ILE A 149 -23.989 -28.520 5.341 1.00 0.00 H new ATOM 0 HD11 ILE A 149 -21.838 -26.161 2.542 1.00 0.00 H new ATOM 0 HD12 ILE A 149 -22.113 -25.199 4.015 1.00 0.00 H new ATOM 0 HD13 ILE A 149 -21.797 -26.946 4.139 1.00 0.00 H new ATOM 583 N ASP A 150 -26.891 -27.914 6.606 1.00 0.00 N ATOM 584 CA ASP A 150 -27.432 -28.069 7.973 1.00 0.00 C ATOM 585 C ASP A 150 -26.331 -27.806 9.020 1.00 0.00 C ATOM 586 O ASP A 150 -25.171 -28.159 8.792 1.00 0.00 O ATOM 587 CB ASP A 150 -27.979 -29.507 8.175 1.00 0.00 C ATOM 588 CG ASP A 150 -29.201 -29.824 7.301 1.00 0.00 C ATOM 589 OD1 ASP A 150 -29.023 -30.241 6.131 1.00 0.00 O ATOM 590 OD2 ASP A 150 -30.348 -29.656 7.777 1.00 0.00 O ATOM 0 H ASP A 150 -26.600 -28.796 6.184 1.00 0.00 H new ATOM 0 HA ASP A 150 -28.238 -27.347 8.101 1.00 0.00 H new ATOM 0 HB2 ASP A 150 -27.188 -30.223 7.953 1.00 0.00 H new ATOM 0 HB3 ASP A 150 -28.247 -29.642 9.223 1.00 0.00 H new ATOM 595 N ARG A 151 -26.697 -27.212 10.176 1.00 0.00 N ATOM 596 CA ARG A 151 -25.765 -27.057 11.322 1.00 0.00 C ATOM 597 C ARG A 151 -25.413 -28.435 11.926 1.00 0.00 C ATOM 598 O ARG A 151 -24.365 -28.598 12.558 1.00 0.00 O ATOM 599 CB ARG A 151 -26.366 -26.136 12.419 1.00 0.00 C ATOM 600 CG ARG A 151 -26.443 -24.634 12.044 1.00 0.00 C ATOM 601 CD ARG A 151 -26.942 -23.758 13.218 1.00 0.00 C ATOM 602 NE ARG A 151 -26.864 -22.315 12.915 1.00 0.00 N ATOM 603 CZ ARG A 151 -26.716 -21.335 13.821 1.00 0.00 C ATOM 604 NH1 ARG A 151 -26.549 -21.596 15.106 1.00 0.00 N ATOM 605 NH2 ARG A 151 -26.720 -20.083 13.431 1.00 0.00 N ATOM 0 H ARG A 151 -27.628 -26.832 10.344 1.00 0.00 H new ATOM 0 HA ARG A 151 -24.855 -26.590 10.945 1.00 0.00 H new ATOM 0 HB2 ARG A 151 -27.370 -26.487 12.657 1.00 0.00 H new ATOM 0 HB3 ARG A 151 -25.769 -26.239 13.325 1.00 0.00 H new ATOM 0 HG2 ARG A 151 -25.458 -24.290 11.730 1.00 0.00 H new ATOM 0 HG3 ARG A 151 -27.111 -24.509 11.191 1.00 0.00 H new ATOM 0 HD2 ARG A 151 -27.973 -24.022 13.452 1.00 0.00 H new ATOM 0 HD3 ARG A 151 -26.348 -23.973 14.106 1.00 0.00 H new ATOM 0 HE ARG A 151 -26.928 -22.039 11.935 1.00 0.00 H new ATOM 0 HH11 ARG A 151 -26.530 -22.562 15.432 1.00 0.00 H new ATOM 0 HH12 ARG A 151 -26.439 -20.831 15.772 1.00 0.00 H new ATOM 0 HH21 ARG A 151 -26.835 -19.857 12.443 1.00 0.00 H new ATOM 0 HH22 ARG A 151 -26.608 -19.335 14.116 1.00 0.00 H new ATOM 619 N GLN A 152 -26.317 -29.415 11.732 1.00 0.00 N ATOM 620 CA GLN A 152 -26.131 -30.802 12.199 1.00 0.00 C ATOM 621 C GLN A 152 -25.297 -31.633 11.208 1.00 0.00 C ATOM 622 O GLN A 152 -24.731 -32.653 11.593 1.00 0.00 O ATOM 623 CB GLN A 152 -27.504 -31.476 12.444 1.00 0.00 C ATOM 624 CG GLN A 152 -28.341 -30.793 13.535 1.00 0.00 C ATOM 625 CD GLN A 152 -29.647 -31.535 13.849 1.00 0.00 C ATOM 626 OE1 GLN A 152 -29.693 -32.406 14.712 1.00 0.00 O ATOM 627 NE2 GLN A 152 -30.712 -31.205 13.134 1.00 0.00 N ATOM 0 H GLN A 152 -27.201 -29.266 11.245 1.00 0.00 H new ATOM 0 HA GLN A 152 -25.580 -30.761 13.139 1.00 0.00 H new ATOM 0 HB2 GLN A 152 -28.070 -31.477 11.512 1.00 0.00 H new ATOM 0 HB3 GLN A 152 -27.343 -32.518 12.721 1.00 0.00 H new ATOM 0 HG2 GLN A 152 -27.746 -30.716 14.445 1.00 0.00 H new ATOM 0 HG3 GLN A 152 -28.575 -29.776 13.221 1.00 0.00 H new ATOM 0 HE21 GLN A 152 -30.643 -30.477 12.423 1.00 0.00 H new ATOM 0 HE22 GLN A 152 -31.601 -31.679 13.294 1.00 0.00 H new ATOM 636 N HIS A 153 -25.261 -31.204 9.931 1.00 0.00 N ATOM 637 CA HIS A 153 -24.534 -31.910 8.843 1.00 0.00 C ATOM 638 C HIS A 153 -23.616 -30.929 8.099 1.00 0.00 C ATOM 639 O HIS A 153 -24.031 -30.303 7.124 1.00 0.00 O ATOM 640 CB HIS A 153 -25.527 -32.563 7.836 1.00 0.00 C ATOM 641 CG HIS A 153 -26.481 -33.549 8.437 1.00 0.00 C ATOM 642 ND1 HIS A 153 -27.848 -33.502 8.263 1.00 0.00 N ATOM 643 CD2 HIS A 153 -26.245 -34.647 9.207 1.00 0.00 C ATOM 644 CE1 HIS A 153 -28.380 -34.540 8.913 1.00 0.00 C ATOM 645 NE2 HIS A 153 -27.453 -35.265 9.500 1.00 0.00 N ATOM 0 H HIS A 153 -25.735 -30.357 9.618 1.00 0.00 H new ATOM 0 HA HIS A 153 -23.934 -32.699 9.296 1.00 0.00 H new ATOM 0 HB2 HIS A 153 -26.101 -31.773 7.352 1.00 0.00 H new ATOM 0 HB3 HIS A 153 -24.953 -33.064 7.056 1.00 0.00 H new ATOM 0 HD2 HIS A 153 -25.273 -34.983 9.537 1.00 0.00 H new ATOM 0 HE1 HIS A 153 -29.437 -34.757 8.952 1.00 0.00 H new ATOM 0 HE2 HIS A 153 -27.593 -36.108 10.056 1.00 0.00 H new ATOM 653 N ILE A 154 -22.373 -30.787 8.582 1.00 0.00 N ATOM 654 CA ILE A 154 -21.375 -29.868 8.003 1.00 0.00 C ATOM 655 C ILE A 154 -20.302 -30.681 7.231 1.00 0.00 C ATOM 656 O ILE A 154 -19.714 -31.602 7.816 1.00 0.00 O ATOM 657 CB ILE A 154 -20.691 -29.016 9.139 1.00 0.00 C ATOM 658 CG1 ILE A 154 -21.767 -28.299 10.026 1.00 0.00 C ATOM 659 CG2 ILE A 154 -19.693 -27.991 8.541 1.00 0.00 C ATOM 660 CD1 ILE A 154 -21.201 -27.561 11.231 1.00 0.00 C ATOM 0 H ILE A 154 -22.028 -31.307 9.388 1.00 0.00 H new ATOM 0 HA ILE A 154 -21.877 -29.189 7.314 1.00 0.00 H new ATOM 0 HB ILE A 154 -20.129 -29.698 9.777 1.00 0.00 H new ATOM 0 HG12 ILE A 154 -22.316 -27.590 9.407 1.00 0.00 H new ATOM 0 HG13 ILE A 154 -22.485 -29.041 10.375 1.00 0.00 H new ATOM 0 HG21 ILE A 154 -19.235 -27.416 9.346 1.00 0.00 H new ATOM 0 HG22 ILE A 154 -18.918 -28.519 7.986 1.00 0.00 H new ATOM 0 HG23 ILE A 154 -20.224 -27.316 7.870 1.00 0.00 H new ATOM 0 HD11 ILE A 154 -22.014 -27.095 11.787 1.00 0.00 H new ATOM 0 HD12 ILE A 154 -20.677 -28.266 11.876 1.00 0.00 H new ATOM 0 HD13 ILE A 154 -20.506 -26.793 10.893 1.00 0.00 H new ATOM 672 N PRO A 155 -20.038 -30.376 5.913 1.00 0.00 N ATOM 673 CA PRO A 155 -18.967 -31.044 5.139 1.00 0.00 C ATOM 674 C PRO A 155 -17.573 -30.499 5.518 1.00 0.00 C ATOM 675 O PRO A 155 -17.435 -29.312 5.856 1.00 0.00 O ATOM 676 CB PRO A 155 -19.336 -30.703 3.674 1.00 0.00 C ATOM 677 CG PRO A 155 -19.968 -29.353 3.771 1.00 0.00 C ATOM 678 CD PRO A 155 -20.753 -29.369 5.077 1.00 0.00 C ATOM 0 HA PRO A 155 -18.906 -32.116 5.325 1.00 0.00 H new ATOM 0 HB2 PRO A 155 -18.455 -30.687 3.033 1.00 0.00 H new ATOM 0 HB3 PRO A 155 -20.023 -31.437 3.253 1.00 0.00 H new ATOM 0 HG2 PRO A 155 -19.215 -28.565 3.775 1.00 0.00 H new ATOM 0 HG3 PRO A 155 -20.623 -29.163 2.921 1.00 0.00 H new ATOM 0 HD2 PRO A 155 -20.759 -28.388 5.552 1.00 0.00 H new ATOM 0 HD3 PRO A 155 -21.793 -29.651 4.914 1.00 0.00 H new ATOM 686 N ASP A 156 -16.558 -31.379 5.476 1.00 0.00 N ATOM 687 CA ASP A 156 -15.159 -31.018 5.790 1.00 0.00 C ATOM 688 C ASP A 156 -14.632 -29.995 4.775 1.00 0.00 C ATOM 689 O ASP A 156 -14.335 -28.842 5.119 1.00 0.00 O ATOM 690 CB ASP A 156 -14.269 -32.290 5.786 1.00 0.00 C ATOM 691 CG ASP A 156 -12.776 -32.010 6.073 1.00 0.00 C ATOM 692 OD1 ASP A 156 -12.000 -31.755 5.120 1.00 0.00 O ATOM 693 OD2 ASP A 156 -12.378 -32.032 7.252 1.00 0.00 O ATOM 0 H ASP A 156 -16.681 -32.360 5.224 1.00 0.00 H new ATOM 0 HA ASP A 156 -15.126 -30.569 6.783 1.00 0.00 H new ATOM 0 HB2 ASP A 156 -14.648 -32.989 6.532 1.00 0.00 H new ATOM 0 HB3 ASP A 156 -14.357 -32.780 4.816 1.00 0.00 H new ATOM 698 N THR A 157 -14.557 -30.439 3.519 1.00 0.00 N ATOM 699 CA THR A 157 -14.049 -29.657 2.412 1.00 0.00 C ATOM 700 C THR A 157 -15.208 -28.830 1.847 1.00 0.00 C ATOM 701 O THR A 157 -15.868 -29.217 0.867 1.00 0.00 O ATOM 702 CB THR A 157 -13.423 -30.603 1.334 1.00 0.00 C ATOM 703 OG1 THR A 157 -12.470 -31.489 1.957 1.00 0.00 O ATOM 704 CG2 THR A 157 -12.731 -29.823 0.208 1.00 0.00 C ATOM 0 H THR A 157 -14.857 -31.375 3.247 1.00 0.00 H new ATOM 0 HA THR A 157 -13.259 -28.981 2.739 1.00 0.00 H new ATOM 0 HB THR A 157 -14.238 -31.174 0.891 1.00 0.00 H new ATOM 0 HG1 THR A 157 -12.082 -32.081 1.279 1.00 0.00 H new ATOM 0 HG21 THR A 157 -12.312 -30.523 -0.515 1.00 0.00 H new ATOM 0 HG22 THR A 157 -13.457 -29.179 -0.288 1.00 0.00 H new ATOM 0 HG23 THR A 157 -11.931 -29.212 0.627 1.00 0.00 H new ATOM 712 N TYR A 158 -15.523 -27.740 2.565 1.00 0.00 N ATOM 713 CA TYR A 158 -16.557 -26.799 2.160 1.00 0.00 C ATOM 714 C TYR A 158 -16.160 -26.133 0.840 1.00 0.00 C ATOM 715 O TYR A 158 -15.072 -25.555 0.719 1.00 0.00 O ATOM 716 CB TYR A 158 -16.791 -25.730 3.251 1.00 0.00 C ATOM 717 CG TYR A 158 -17.772 -24.621 2.824 1.00 0.00 C ATOM 718 CD1 TYR A 158 -19.113 -24.899 2.597 1.00 0.00 C ATOM 719 CD2 TYR A 158 -17.351 -23.304 2.650 1.00 0.00 C ATOM 720 CE1 TYR A 158 -19.990 -23.904 2.220 1.00 0.00 C ATOM 721 CE2 TYR A 158 -18.225 -22.314 2.272 1.00 0.00 C ATOM 722 CZ TYR A 158 -19.540 -22.616 2.059 1.00 0.00 C ATOM 723 OH TYR A 158 -20.420 -21.620 1.696 1.00 0.00 O ATOM 0 H TYR A 158 -15.063 -27.494 3.441 1.00 0.00 H new ATOM 0 HA TYR A 158 -17.489 -27.346 2.021 1.00 0.00 H new ATOM 0 HB2 TYR A 158 -17.173 -26.216 4.149 1.00 0.00 H new ATOM 0 HB3 TYR A 158 -15.836 -25.277 3.516 1.00 0.00 H new ATOM 0 HD1 TYR A 158 -19.475 -25.909 2.717 1.00 0.00 H new ATOM 0 HD2 TYR A 158 -16.313 -23.056 2.816 1.00 0.00 H new ATOM 0 HE1 TYR A 158 -21.031 -24.137 2.051 1.00 0.00 H new ATOM 0 HE2 TYR A 158 -17.874 -21.301 2.144 1.00 0.00 H new ATOM 0 HH TYR A 158 -20.595 -21.673 0.733 1.00 0.00 H new ATOM 733 N LEU A 159 -17.044 -26.239 -0.149 1.00 0.00 N ATOM 734 CA LEU A 159 -16.843 -25.646 -1.463 1.00 0.00 C ATOM 735 C LEU A 159 -18.017 -24.726 -1.779 1.00 0.00 C ATOM 736 O LEU A 159 -19.182 -25.103 -1.593 1.00 0.00 O ATOM 737 CB LEU A 159 -16.706 -26.749 -2.536 1.00 0.00 C ATOM 738 CG LEU A 159 -15.518 -27.739 -2.348 1.00 0.00 C ATOM 739 CD1 LEU A 159 -15.540 -28.836 -3.434 1.00 0.00 C ATOM 740 CD2 LEU A 159 -14.160 -26.987 -2.324 1.00 0.00 C ATOM 0 H LEU A 159 -17.926 -26.743 -0.058 1.00 0.00 H new ATOM 0 HA LEU A 159 -15.922 -25.064 -1.464 1.00 0.00 H new ATOM 0 HB2 LEU A 159 -17.632 -27.324 -2.559 1.00 0.00 H new ATOM 0 HB3 LEU A 159 -16.604 -26.270 -3.510 1.00 0.00 H new ATOM 0 HG LEU A 159 -15.635 -28.228 -1.381 1.00 0.00 H new ATOM 0 HD11 LEU A 159 -14.701 -29.515 -3.282 1.00 0.00 H new ATOM 0 HD12 LEU A 159 -16.475 -29.393 -3.369 1.00 0.00 H new ATOM 0 HD13 LEU A 159 -15.460 -28.375 -4.418 1.00 0.00 H new ATOM 0 HD21 LEU A 159 -13.350 -27.704 -2.192 1.00 0.00 H new ATOM 0 HD22 LEU A 159 -14.023 -26.454 -3.265 1.00 0.00 H new ATOM 0 HD23 LEU A 159 -14.153 -26.275 -1.499 1.00 0.00 H new ATOM 752 N CYS A 160 -17.691 -23.523 -2.253 1.00 0.00 N ATOM 753 CA CYS A 160 -18.688 -22.519 -2.659 1.00 0.00 C ATOM 754 C CYS A 160 -19.238 -22.855 -4.056 1.00 0.00 C ATOM 755 O CYS A 160 -18.801 -23.847 -4.673 1.00 0.00 O ATOM 756 CB CYS A 160 -18.062 -21.112 -2.638 1.00 0.00 C ATOM 757 SG CYS A 160 -16.771 -20.843 -3.882 1.00 0.00 S ATOM 0 H CYS A 160 -16.726 -23.212 -2.368 1.00 0.00 H new ATOM 0 HA CYS A 160 -19.518 -22.534 -1.952 1.00 0.00 H new ATOM 0 HB2 CYS A 160 -18.851 -20.375 -2.787 1.00 0.00 H new ATOM 0 HB3 CYS A 160 -17.639 -20.931 -1.650 1.00 0.00 H new ATOM 762 N GLU A 161 -20.164 -22.007 -4.544 1.00 0.00 N ATOM 763 CA GLU A 161 -20.900 -22.192 -5.814 1.00 0.00 C ATOM 764 C GLU A 161 -19.996 -22.605 -7.006 1.00 0.00 C ATOM 765 O GLU A 161 -20.346 -23.509 -7.765 1.00 0.00 O ATOM 766 CB GLU A 161 -21.645 -20.880 -6.160 1.00 0.00 C ATOM 767 CG GLU A 161 -22.483 -20.932 -7.460 1.00 0.00 C ATOM 768 CD GLU A 161 -22.890 -19.545 -7.967 1.00 0.00 C ATOM 769 OE1 GLU A 161 -22.039 -18.872 -8.588 1.00 0.00 O ATOM 770 OE2 GLU A 161 -24.042 -19.128 -7.754 1.00 0.00 O ATOM 0 H GLU A 161 -20.429 -21.152 -4.055 1.00 0.00 H new ATOM 0 HA GLU A 161 -21.597 -23.015 -5.659 1.00 0.00 H new ATOM 0 HB2 GLU A 161 -22.303 -20.623 -5.330 1.00 0.00 H new ATOM 0 HB3 GLU A 161 -20.914 -20.076 -6.248 1.00 0.00 H new ATOM 0 HG2 GLU A 161 -21.910 -21.442 -8.235 1.00 0.00 H new ATOM 0 HG3 GLU A 161 -23.380 -21.526 -7.284 1.00 0.00 H new ATOM 777 N ARG A 162 -18.828 -21.952 -7.136 1.00 0.00 N ATOM 778 CA ARG A 162 -17.942 -22.107 -8.314 1.00 0.00 C ATOM 779 C ARG A 162 -17.030 -23.346 -8.182 1.00 0.00 C ATOM 780 O ARG A 162 -16.666 -23.957 -9.192 1.00 0.00 O ATOM 781 CB ARG A 162 -17.065 -20.836 -8.532 1.00 0.00 C ATOM 782 CG ARG A 162 -17.827 -19.529 -8.895 1.00 0.00 C ATOM 783 CD ARG A 162 -18.582 -18.900 -7.711 1.00 0.00 C ATOM 784 NE ARG A 162 -19.225 -17.622 -8.068 1.00 0.00 N ATOM 785 CZ ARG A 162 -18.682 -16.406 -7.885 1.00 0.00 C ATOM 786 NH1 ARG A 162 -17.461 -16.273 -7.372 1.00 0.00 N ATOM 787 NH2 ARG A 162 -19.363 -15.322 -8.228 1.00 0.00 N ATOM 0 H ARG A 162 -18.469 -21.304 -6.435 1.00 0.00 H new ATOM 0 HA ARG A 162 -18.591 -22.244 -9.179 1.00 0.00 H new ATOM 0 HB2 ARG A 162 -16.490 -20.656 -7.623 1.00 0.00 H new ATOM 0 HB3 ARG A 162 -16.348 -21.046 -9.326 1.00 0.00 H new ATOM 0 HG2 ARG A 162 -17.116 -18.802 -9.287 1.00 0.00 H new ATOM 0 HG3 ARG A 162 -18.537 -19.744 -9.694 1.00 0.00 H new ATOM 0 HD2 ARG A 162 -19.340 -19.598 -7.355 1.00 0.00 H new ATOM 0 HD3 ARG A 162 -17.888 -18.736 -6.887 1.00 0.00 H new ATOM 0 HE ARG A 162 -20.154 -17.664 -8.486 1.00 0.00 H new ATOM 0 HH11 ARG A 162 -16.924 -17.100 -7.112 1.00 0.00 H new ATOM 0 HH12 ARG A 162 -17.062 -15.344 -7.239 1.00 0.00 H new ATOM 0 HH21 ARG A 162 -20.296 -15.412 -8.630 1.00 0.00 H new ATOM 0 HH22 ARG A 162 -18.954 -14.398 -8.090 1.00 0.00 H new ATOM 801 N CYS A 163 -16.666 -23.697 -6.934 1.00 0.00 N ATOM 802 CA CYS A 163 -15.719 -24.804 -6.664 1.00 0.00 C ATOM 803 C CYS A 163 -16.402 -26.179 -6.805 1.00 0.00 C ATOM 804 O CYS A 163 -15.821 -27.109 -7.365 1.00 0.00 O ATOM 805 CB CYS A 163 -15.091 -24.663 -5.256 1.00 0.00 C ATOM 806 SG CYS A 163 -14.000 -23.234 -5.054 1.00 0.00 S ATOM 0 H CYS A 163 -17.012 -23.232 -6.094 1.00 0.00 H new ATOM 0 HA CYS A 163 -14.926 -24.741 -7.409 1.00 0.00 H new ATOM 0 HB2 CYS A 163 -15.893 -24.598 -4.520 1.00 0.00 H new ATOM 0 HB3 CYS A 163 -14.527 -25.568 -5.033 1.00 0.00 H new ATOM 811 N GLN A 164 -17.633 -26.288 -6.284 1.00 0.00 N ATOM 812 CA GLN A 164 -18.407 -27.527 -6.246 1.00 0.00 C ATOM 813 C GLN A 164 -19.248 -27.653 -7.540 1.00 0.00 C ATOM 814 O GLN A 164 -19.865 -26.666 -7.929 1.00 0.00 O ATOM 815 CB GLN A 164 -19.278 -27.466 -4.971 1.00 0.00 C ATOM 816 CG GLN A 164 -20.264 -28.616 -4.788 1.00 0.00 C ATOM 817 CD GLN A 164 -20.903 -28.698 -3.386 1.00 0.00 C ATOM 818 OE1 GLN A 164 -21.297 -29.773 -2.944 1.00 0.00 O ATOM 819 NE2 GLN A 164 -20.991 -27.583 -2.665 1.00 0.00 N ATOM 0 H GLN A 164 -18.125 -25.496 -5.869 1.00 0.00 H new ATOM 0 HA GLN A 164 -17.773 -28.413 -6.206 1.00 0.00 H new ATOM 0 HB2 GLN A 164 -18.618 -27.436 -4.104 1.00 0.00 H new ATOM 0 HB3 GLN A 164 -19.837 -26.530 -4.979 1.00 0.00 H new ATOM 0 HG2 GLN A 164 -21.057 -28.518 -5.529 1.00 0.00 H new ATOM 0 HG3 GLN A 164 -19.749 -29.555 -4.994 1.00 0.00 H new ATOM 0 HE21 GLN A 164 -20.658 -26.699 -3.050 1.00 0.00 H new ATOM 0 HE22 GLN A 164 -21.391 -27.612 -1.727 1.00 0.00 H new ATOM 828 N PRO A 165 -19.267 -28.859 -8.226 1.00 0.00 N ATOM 829 CA PRO A 165 -19.894 -29.039 -9.577 1.00 0.00 C ATOM 830 C PRO A 165 -21.383 -28.625 -9.662 1.00 0.00 C ATOM 831 O PRO A 165 -21.839 -28.123 -10.701 1.00 0.00 O ATOM 832 CB PRO A 165 -19.726 -30.557 -9.854 1.00 0.00 C ATOM 833 CG PRO A 165 -18.554 -30.958 -9.014 1.00 0.00 C ATOM 834 CD PRO A 165 -18.665 -30.138 -7.749 1.00 0.00 C ATOM 0 HA PRO A 165 -19.415 -28.390 -10.310 1.00 0.00 H new ATOM 0 HB2 PRO A 165 -20.622 -31.113 -9.578 1.00 0.00 H new ATOM 0 HB3 PRO A 165 -19.543 -30.751 -10.911 1.00 0.00 H new ATOM 0 HG2 PRO A 165 -18.576 -32.025 -8.793 1.00 0.00 H new ATOM 0 HG3 PRO A 165 -17.615 -30.759 -9.530 1.00 0.00 H new ATOM 0 HD2 PRO A 165 -19.294 -30.627 -7.006 1.00 0.00 H new ATOM 0 HD3 PRO A 165 -17.691 -29.977 -7.286 1.00 0.00 H new ATOM 842 N ARG A 166 -22.134 -28.867 -8.576 1.00 0.00 N ATOM 843 CA ARG A 166 -23.554 -28.455 -8.474 1.00 0.00 C ATOM 844 C ARG A 166 -23.666 -26.943 -8.202 1.00 0.00 C ATOM 845 O ARG A 166 -22.696 -26.307 -7.770 1.00 0.00 O ATOM 846 CB ARG A 166 -24.276 -29.255 -7.352 1.00 0.00 C ATOM 847 CG ARG A 166 -23.693 -29.040 -5.937 1.00 0.00 C ATOM 848 CD ARG A 166 -24.391 -29.874 -4.848 1.00 0.00 C ATOM 849 NE ARG A 166 -25.806 -29.493 -4.668 1.00 0.00 N ATOM 850 CZ ARG A 166 -26.404 -29.241 -3.493 1.00 0.00 C ATOM 851 NH1 ARG A 166 -25.745 -29.370 -2.348 1.00 0.00 N ATOM 852 NH2 ARG A 166 -27.673 -28.870 -3.478 1.00 0.00 N ATOM 0 H ARG A 166 -21.784 -29.349 -7.748 1.00 0.00 H new ATOM 0 HA ARG A 166 -24.038 -28.673 -9.426 1.00 0.00 H new ATOM 0 HB2 ARG A 166 -25.329 -28.975 -7.344 1.00 0.00 H new ATOM 0 HB3 ARG A 166 -24.230 -30.317 -7.593 1.00 0.00 H new ATOM 0 HG2 ARG A 166 -22.632 -29.289 -5.949 1.00 0.00 H new ATOM 0 HG3 ARG A 166 -23.770 -27.984 -5.679 1.00 0.00 H new ATOM 0 HD2 ARG A 166 -24.332 -30.930 -5.110 1.00 0.00 H new ATOM 0 HD3 ARG A 166 -23.861 -29.750 -3.904 1.00 0.00 H new ATOM 0 HE ARG A 166 -26.378 -29.415 -5.509 1.00 0.00 H new ATOM 0 HH11 ARG A 166 -24.769 -29.665 -2.352 1.00 0.00 H new ATOM 0 HH12 ARG A 166 -26.215 -29.174 -1.464 1.00 0.00 H new ATOM 0 HH21 ARG A 166 -28.188 -28.778 -4.354 1.00 0.00 H new ATOM 0 HH22 ARG A 166 -28.137 -28.676 -2.591 1.00 0.00 H new ATOM 866 N ASN A 167 -24.847 -26.366 -8.473 1.00 0.00 N ATOM 867 CA ASN A 167 -25.157 -24.986 -8.058 1.00 0.00 C ATOM 868 C ASN A 167 -25.538 -24.986 -6.575 1.00 0.00 C ATOM 869 O ASN A 167 -26.207 -25.911 -6.094 1.00 0.00 O ATOM 870 CB ASN A 167 -26.292 -24.356 -8.910 1.00 0.00 C ATOM 871 CG ASN A 167 -27.646 -25.058 -8.763 1.00 0.00 C ATOM 872 OD1 ASN A 167 -28.450 -24.719 -7.894 1.00 0.00 O ATOM 873 ND2 ASN A 167 -27.904 -26.043 -9.609 1.00 0.00 N ATOM 0 H ASN A 167 -25.602 -26.831 -8.976 1.00 0.00 H new ATOM 0 HA ASN A 167 -24.269 -24.374 -8.218 1.00 0.00 H new ATOM 0 HB2 ASN A 167 -26.405 -23.309 -8.629 1.00 0.00 H new ATOM 0 HB3 ASN A 167 -25.997 -24.374 -9.959 1.00 0.00 H new ATOM 0 HD21 ASN A 167 -28.790 -26.545 -9.552 1.00 0.00 H new ATOM 0 HD22 ASN A 167 -27.217 -26.300 -10.318 1.00 0.00 H new ATOM 880 N LEU A 168 -25.063 -23.981 -5.845 1.00 0.00 N ATOM 881 CA LEU A 168 -25.383 -23.800 -4.422 1.00 0.00 C ATOM 882 C LEU A 168 -26.245 -22.551 -4.249 1.00 0.00 C ATOM 883 O LEU A 168 -26.292 -21.691 -5.148 1.00 0.00 O ATOM 884 CB LEU A 168 -24.089 -23.716 -3.559 1.00 0.00 C ATOM 885 CG LEU A 168 -23.255 -25.032 -3.392 1.00 0.00 C ATOM 886 CD1 LEU A 168 -24.132 -26.201 -2.900 1.00 0.00 C ATOM 887 CD2 LEU A 168 -22.480 -25.396 -4.670 1.00 0.00 C ATOM 0 H LEU A 168 -24.443 -23.264 -6.220 1.00 0.00 H new ATOM 0 HA LEU A 168 -25.944 -24.667 -4.073 1.00 0.00 H new ATOM 0 HB2 LEU A 168 -23.440 -22.957 -3.996 1.00 0.00 H new ATOM 0 HB3 LEU A 168 -24.367 -23.364 -2.566 1.00 0.00 H new ATOM 0 HG LEU A 168 -22.510 -24.839 -2.620 1.00 0.00 H new ATOM 0 HD11 LEU A 168 -23.520 -27.097 -2.796 1.00 0.00 H new ATOM 0 HD12 LEU A 168 -24.570 -25.946 -1.935 1.00 0.00 H new ATOM 0 HD13 LEU A 168 -24.928 -26.387 -3.621 1.00 0.00 H new ATOM 0 HD21 LEU A 168 -21.917 -26.315 -4.505 1.00 0.00 H new ATOM 0 HD22 LEU A 168 -23.181 -25.542 -5.492 1.00 0.00 H new ATOM 0 HD23 LEU A 168 -21.791 -24.589 -4.920 1.00 0.00 H new ATOM 899 N ASP A 169 -26.930 -22.469 -3.098 1.00 0.00 N ATOM 900 CA ASP A 169 -27.825 -21.352 -2.771 1.00 0.00 C ATOM 901 C ASP A 169 -27.015 -20.054 -2.628 1.00 0.00 C ATOM 902 O ASP A 169 -26.378 -19.819 -1.595 1.00 0.00 O ATOM 903 CB ASP A 169 -28.626 -21.642 -1.473 1.00 0.00 C ATOM 904 CG ASP A 169 -29.503 -22.902 -1.590 1.00 0.00 C ATOM 905 OD1 ASP A 169 -28.955 -24.032 -1.544 1.00 0.00 O ATOM 906 OD2 ASP A 169 -30.738 -22.778 -1.764 1.00 0.00 O ATOM 0 H ASP A 169 -26.878 -23.178 -2.367 1.00 0.00 H new ATOM 0 HA ASP A 169 -28.540 -21.233 -3.585 1.00 0.00 H new ATOM 0 HB2 ASP A 169 -27.932 -21.762 -0.641 1.00 0.00 H new ATOM 0 HB3 ASP A 169 -29.257 -20.784 -1.240 1.00 0.00 H new ATOM 911 N LYS A 170 -26.952 -19.287 -3.725 1.00 0.00 N ATOM 912 CA LYS A 170 -26.371 -17.942 -3.734 1.00 0.00 C ATOM 913 C LYS A 170 -27.466 -16.925 -3.397 1.00 0.00 C ATOM 914 O LYS A 170 -27.364 -16.210 -2.403 1.00 0.00 O ATOM 915 CB LYS A 170 -25.737 -17.617 -5.112 1.00 0.00 C ATOM 916 CG LYS A 170 -25.119 -16.203 -5.205 1.00 0.00 C ATOM 917 CD LYS A 170 -24.654 -15.846 -6.630 1.00 0.00 C ATOM 918 CE LYS A 170 -24.143 -14.401 -6.731 1.00 0.00 C ATOM 919 NZ LYS A 170 -23.836 -14.009 -8.124 1.00 0.00 N ATOM 0 H LYS A 170 -27.305 -19.586 -4.634 1.00 0.00 H new ATOM 0 HA LYS A 170 -25.579 -17.892 -2.987 1.00 0.00 H new ATOM 0 HB2 LYS A 170 -24.964 -18.355 -5.327 1.00 0.00 H new ATOM 0 HB3 LYS A 170 -26.499 -17.720 -5.884 1.00 0.00 H new ATOM 0 HG2 LYS A 170 -25.853 -15.468 -4.873 1.00 0.00 H new ATOM 0 HG3 LYS A 170 -24.271 -16.137 -4.524 1.00 0.00 H new ATOM 0 HD2 LYS A 170 -23.863 -16.531 -6.934 1.00 0.00 H new ATOM 0 HD3 LYS A 170 -25.481 -15.986 -7.326 1.00 0.00 H new ATOM 0 HE2 LYS A 170 -24.893 -13.724 -6.322 1.00 0.00 H new ATOM 0 HE3 LYS A 170 -23.247 -14.291 -6.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 170 -23.495 -13.027 -8.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 170 -23.101 -14.637 -8.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 170 -24.696 -14.087 -8.704 1.00 0.00 H new ATOM 933 N GLU A 171 -28.531 -16.910 -4.225 1.00 0.00 N ATOM 934 CA GLU A 171 -29.635 -15.941 -4.111 1.00 0.00 C ATOM 935 C GLU A 171 -30.402 -16.133 -2.798 1.00 0.00 C ATOM 936 O GLU A 171 -30.631 -15.168 -2.057 1.00 0.00 O ATOM 937 CB GLU A 171 -30.603 -16.056 -5.320 1.00 0.00 C ATOM 938 CG GLU A 171 -31.778 -15.045 -5.318 1.00 0.00 C ATOM 939 CD GLU A 171 -31.326 -13.571 -5.420 1.00 0.00 C ATOM 940 OE1 GLU A 171 -31.024 -12.939 -4.383 1.00 0.00 O ATOM 941 OE2 GLU A 171 -31.266 -13.038 -6.545 1.00 0.00 O ATOM 0 H GLU A 171 -28.648 -17.572 -4.992 1.00 0.00 H new ATOM 0 HA GLU A 171 -29.199 -14.942 -4.112 1.00 0.00 H new ATOM 0 HB2 GLU A 171 -30.031 -15.923 -6.238 1.00 0.00 H new ATOM 0 HB3 GLU A 171 -31.013 -17.066 -5.343 1.00 0.00 H new ATOM 0 HG2 GLU A 171 -32.442 -15.271 -6.152 1.00 0.00 H new ATOM 0 HG3 GLU A 171 -32.358 -15.176 -4.404 1.00 0.00 H new ATOM 948 N ARG A 172 -30.747 -17.405 -2.500 1.00 0.00 N ATOM 949 CA ARG A 172 -31.476 -17.777 -1.273 1.00 0.00 C ATOM 950 C ARG A 172 -30.675 -17.363 -0.030 1.00 0.00 C ATOM 951 O ARG A 172 -31.253 -16.949 0.960 1.00 0.00 O ATOM 952 CB ARG A 172 -31.753 -19.300 -1.243 1.00 0.00 C ATOM 953 CG ARG A 172 -32.714 -19.801 -2.344 1.00 0.00 C ATOM 954 CD ARG A 172 -34.158 -19.271 -2.180 1.00 0.00 C ATOM 955 NE ARG A 172 -34.742 -19.651 -0.876 1.00 0.00 N ATOM 956 CZ ARG A 172 -35.404 -20.793 -0.612 1.00 0.00 C ATOM 957 NH1 ARG A 172 -35.562 -21.730 -1.539 1.00 0.00 N ATOM 958 NH2 ARG A 172 -35.881 -21.007 0.598 1.00 0.00 N ATOM 0 H ARG A 172 -30.528 -18.198 -3.103 1.00 0.00 H new ATOM 0 HA ARG A 172 -32.430 -17.250 -1.269 1.00 0.00 H new ATOM 0 HB2 ARG A 172 -30.805 -19.830 -1.338 1.00 0.00 H new ATOM 0 HB3 ARG A 172 -32.169 -19.561 -0.270 1.00 0.00 H new ATOM 0 HG2 ARG A 172 -32.331 -19.497 -3.318 1.00 0.00 H new ATOM 0 HG3 ARG A 172 -32.731 -20.891 -2.334 1.00 0.00 H new ATOM 0 HD2 ARG A 172 -34.159 -18.185 -2.275 1.00 0.00 H new ATOM 0 HD3 ARG A 172 -34.781 -19.662 -2.984 1.00 0.00 H new ATOM 0 HE ARG A 172 -34.634 -18.989 -0.108 1.00 0.00 H new ATOM 0 HH11 ARG A 172 -35.178 -21.592 -2.474 1.00 0.00 H new ATOM 0 HH12 ARG A 172 -36.067 -22.588 -1.316 1.00 0.00 H new ATOM 0 HH21 ARG A 172 -35.748 -20.309 1.330 1.00 0.00 H new ATOM 0 HH22 ARG A 172 -36.383 -21.871 0.803 1.00 0.00 H new ATOM 972 N ALA A 173 -29.341 -17.445 -0.150 1.00 0.00 N ATOM 973 CA ALA A 173 -28.380 -17.097 0.914 1.00 0.00 C ATOM 974 C ALA A 173 -28.387 -15.602 1.251 1.00 0.00 C ATOM 975 O ALA A 173 -28.364 -15.216 2.433 1.00 0.00 O ATOM 976 CB ALA A 173 -26.980 -17.502 0.465 1.00 0.00 C ATOM 0 H ALA A 173 -28.888 -17.762 -1.007 1.00 0.00 H new ATOM 0 HA ALA A 173 -28.677 -17.634 1.815 1.00 0.00 H new ATOM 0 HB1 ALA A 173 -26.261 -17.249 1.244 1.00 0.00 H new ATOM 0 HB2 ALA A 173 -26.953 -18.576 0.281 1.00 0.00 H new ATOM 0 HB3 ALA A 173 -26.724 -16.970 -0.451 1.00 0.00 H new ATOM 982 N VAL A 174 -28.374 -14.773 0.192 1.00 0.00 N ATOM 983 CA VAL A 174 -28.328 -13.309 0.317 1.00 0.00 C ATOM 984 C VAL A 174 -29.601 -12.813 1.004 1.00 0.00 C ATOM 985 O VAL A 174 -29.542 -12.083 2.006 1.00 0.00 O ATOM 986 CB VAL A 174 -28.156 -12.602 -1.078 1.00 0.00 C ATOM 987 CG1 VAL A 174 -28.028 -11.071 -0.919 1.00 0.00 C ATOM 988 CG2 VAL A 174 -26.941 -13.164 -1.846 1.00 0.00 C ATOM 0 H VAL A 174 -28.395 -15.101 -0.774 1.00 0.00 H new ATOM 0 HA VAL A 174 -27.457 -13.052 0.920 1.00 0.00 H new ATOM 0 HB VAL A 174 -29.054 -12.812 -1.659 1.00 0.00 H new ATOM 0 HG11 VAL A 174 -27.910 -10.612 -1.901 1.00 0.00 H new ATOM 0 HG12 VAL A 174 -28.925 -10.679 -0.440 1.00 0.00 H new ATOM 0 HG13 VAL A 174 -27.158 -10.841 -0.304 1.00 0.00 H new ATOM 0 HG21 VAL A 174 -26.850 -12.655 -2.805 1.00 0.00 H new ATOM 0 HG22 VAL A 174 -26.035 -13.003 -1.262 1.00 0.00 H new ATOM 0 HG23 VAL A 174 -27.079 -14.232 -2.014 1.00 0.00 H new ATOM 998 N LEU A 175 -30.734 -13.295 0.479 1.00 0.00 N ATOM 999 CA LEU A 175 -32.068 -12.941 0.964 1.00 0.00 C ATOM 1000 C LEU A 175 -32.286 -13.442 2.401 1.00 0.00 C ATOM 1001 O LEU A 175 -32.847 -12.719 3.216 1.00 0.00 O ATOM 1002 CB LEU A 175 -33.150 -13.506 0.015 1.00 0.00 C ATOM 1003 CG LEU A 175 -33.022 -13.069 -1.482 1.00 0.00 C ATOM 1004 CD1 LEU A 175 -34.119 -13.715 -2.347 1.00 0.00 C ATOM 1005 CD2 LEU A 175 -33.011 -11.528 -1.629 1.00 0.00 C ATOM 0 H LEU A 175 -30.747 -13.949 -0.303 1.00 0.00 H new ATOM 0 HA LEU A 175 -32.150 -11.854 0.976 1.00 0.00 H new ATOM 0 HB2 LEU A 175 -33.119 -14.595 0.062 1.00 0.00 H new ATOM 0 HB3 LEU A 175 -34.129 -13.199 0.383 1.00 0.00 H new ATOM 0 HG LEU A 175 -32.061 -13.431 -1.848 1.00 0.00 H new ATOM 0 HD11 LEU A 175 -34.004 -13.392 -3.382 1.00 0.00 H new ATOM 0 HD12 LEU A 175 -34.033 -14.800 -2.294 1.00 0.00 H new ATOM 0 HD13 LEU A 175 -35.099 -13.411 -1.979 1.00 0.00 H new ATOM 0 HD21 LEU A 175 -32.921 -11.264 -2.683 1.00 0.00 H new ATOM 0 HD22 LEU A 175 -33.939 -11.118 -1.230 1.00 0.00 H new ATOM 0 HD23 LEU A 175 -32.166 -11.116 -1.078 1.00 0.00 H new ATOM 1017 N LEU A 176 -31.783 -14.659 2.695 1.00 0.00 N ATOM 1018 CA LEU A 176 -31.969 -15.327 4.004 1.00 0.00 C ATOM 1019 C LEU A 176 -31.342 -14.516 5.147 1.00 0.00 C ATOM 1020 O LEU A 176 -32.001 -14.249 6.146 1.00 0.00 O ATOM 1021 CB LEU A 176 -31.366 -16.759 3.978 1.00 0.00 C ATOM 1022 CG LEU A 176 -31.556 -17.636 5.262 1.00 0.00 C ATOM 1023 CD1 LEU A 176 -33.055 -17.834 5.596 1.00 0.00 C ATOM 1024 CD2 LEU A 176 -30.831 -18.996 5.107 1.00 0.00 C ATOM 0 H LEU A 176 -31.236 -15.208 2.032 1.00 0.00 H new ATOM 0 HA LEU A 176 -33.042 -15.394 4.185 1.00 0.00 H new ATOM 0 HB2 LEU A 176 -31.802 -17.295 3.135 1.00 0.00 H new ATOM 0 HB3 LEU A 176 -30.297 -16.673 3.782 1.00 0.00 H new ATOM 0 HG LEU A 176 -31.105 -17.105 6.100 1.00 0.00 H new ATOM 0 HD11 LEU A 176 -33.150 -18.447 6.492 1.00 0.00 H new ATOM 0 HD12 LEU A 176 -33.521 -16.864 5.769 1.00 0.00 H new ATOM 0 HD13 LEU A 176 -33.551 -18.331 4.762 1.00 0.00 H new ATOM 0 HD21 LEU A 176 -30.975 -19.590 6.009 1.00 0.00 H new ATOM 0 HD22 LEU A 176 -31.241 -19.531 4.251 1.00 0.00 H new ATOM 0 HD23 LEU A 176 -29.766 -18.825 4.952 1.00 0.00 H new ATOM 1036 N GLN A 177 -30.073 -14.108 4.978 1.00 0.00 N ATOM 1037 CA GLN A 177 -29.307 -13.441 6.053 1.00 0.00 C ATOM 1038 C GLN A 177 -29.635 -11.949 6.186 1.00 0.00 C ATOM 1039 O GLN A 177 -29.481 -11.389 7.283 1.00 0.00 O ATOM 1040 CB GLN A 177 -27.789 -13.651 5.879 1.00 0.00 C ATOM 1041 CG GLN A 177 -27.329 -15.113 6.104 1.00 0.00 C ATOM 1042 CD GLN A 177 -25.968 -15.220 6.793 1.00 0.00 C ATOM 1043 OE1 GLN A 177 -25.140 -14.332 6.669 1.00 0.00 O ATOM 1044 NE2 GLN A 177 -25.711 -16.313 7.494 1.00 0.00 N ATOM 0 H GLN A 177 -29.553 -14.227 4.109 1.00 0.00 H new ATOM 0 HA GLN A 177 -29.619 -13.917 6.983 1.00 0.00 H new ATOM 0 HB2 GLN A 177 -27.502 -13.340 4.874 1.00 0.00 H new ATOM 0 HB3 GLN A 177 -27.260 -13.002 6.577 1.00 0.00 H new ATOM 0 HG2 GLN A 177 -28.075 -15.633 6.706 1.00 0.00 H new ATOM 0 HG3 GLN A 177 -27.283 -15.624 5.142 1.00 0.00 H new ATOM 0 HE21 GLN A 177 -26.420 -17.041 7.582 1.00 0.00 H new ATOM 0 HE22 GLN A 177 -24.804 -16.428 7.946 1.00 0.00 H new ATOM 1053 N ARG A 178 -30.069 -11.296 5.088 1.00 0.00 N ATOM 1054 CA ARG A 178 -30.480 -9.882 5.166 1.00 0.00 C ATOM 1055 C ARG A 178 -31.820 -9.779 5.919 1.00 0.00 C ATOM 1056 O ARG A 178 -31.942 -8.983 6.842 1.00 0.00 O ATOM 1057 CB ARG A 178 -30.542 -9.181 3.776 1.00 0.00 C ATOM 1058 CG ARG A 178 -31.620 -9.699 2.798 1.00 0.00 C ATOM 1059 CD ARG A 178 -31.814 -8.780 1.586 1.00 0.00 C ATOM 1060 NE ARG A 178 -32.317 -7.457 2.006 1.00 0.00 N ATOM 1061 CZ ARG A 178 -31.974 -6.284 1.463 1.00 0.00 C ATOM 1062 NH1 ARG A 178 -31.115 -6.221 0.470 1.00 0.00 N ATOM 1063 NH2 ARG A 178 -32.493 -5.170 1.917 1.00 0.00 N ATOM 0 H ARG A 178 -30.143 -11.713 4.160 1.00 0.00 H new ATOM 0 HA ARG A 178 -29.712 -9.344 5.721 1.00 0.00 H new ATOM 0 HB2 ARG A 178 -30.709 -8.116 3.937 1.00 0.00 H new ATOM 0 HB3 ARG A 178 -29.568 -9.283 3.297 1.00 0.00 H new ATOM 0 HG2 ARG A 178 -31.342 -10.695 2.452 1.00 0.00 H new ATOM 0 HG3 ARG A 178 -32.567 -9.798 3.328 1.00 0.00 H new ATOM 0 HD2 ARG A 178 -30.868 -8.663 1.057 1.00 0.00 H new ATOM 0 HD3 ARG A 178 -32.515 -9.236 0.887 1.00 0.00 H new ATOM 0 HE ARG A 178 -32.984 -7.436 2.777 1.00 0.00 H new ATOM 0 HH11 ARG A 178 -30.698 -7.076 0.101 1.00 0.00 H new ATOM 0 HH12 ARG A 178 -30.865 -5.317 0.068 1.00 0.00 H new ATOM 0 HH21 ARG A 178 -33.161 -5.195 2.687 1.00 0.00 H new ATOM 0 HH22 ARG A 178 -32.229 -4.277 1.500 1.00 0.00 H new ATOM 1077 N ARG A 179 -32.801 -10.652 5.574 1.00 0.00 N ATOM 1078 CA ARG A 179 -34.108 -10.683 6.273 1.00 0.00 C ATOM 1079 C ARG A 179 -33.928 -11.178 7.713 1.00 0.00 C ATOM 1080 O ARG A 179 -34.688 -10.789 8.602 1.00 0.00 O ATOM 1081 CB ARG A 179 -35.152 -11.568 5.529 1.00 0.00 C ATOM 1082 CG ARG A 179 -34.845 -13.082 5.525 1.00 0.00 C ATOM 1083 CD ARG A 179 -35.932 -13.929 4.848 1.00 0.00 C ATOM 1084 NE ARG A 179 -37.165 -13.968 5.652 1.00 0.00 N ATOM 1085 CZ ARG A 179 -38.356 -14.411 5.240 1.00 0.00 C ATOM 1086 NH1 ARG A 179 -38.542 -14.839 3.998 1.00 0.00 N ATOM 1087 NH2 ARG A 179 -39.359 -14.422 6.090 1.00 0.00 N ATOM 0 H ARG A 179 -32.712 -11.337 4.823 1.00 0.00 H new ATOM 0 HA ARG A 179 -34.493 -9.663 6.285 1.00 0.00 H new ATOM 0 HB2 ARG A 179 -36.129 -11.413 5.987 1.00 0.00 H new ATOM 0 HB3 ARG A 179 -35.226 -11.225 4.497 1.00 0.00 H new ATOM 0 HG2 ARG A 179 -33.896 -13.250 5.016 1.00 0.00 H new ATOM 0 HG3 ARG A 179 -34.720 -13.421 6.553 1.00 0.00 H new ATOM 0 HD2 ARG A 179 -36.152 -13.520 3.862 1.00 0.00 H new ATOM 0 HD3 ARG A 179 -35.563 -14.943 4.697 1.00 0.00 H new ATOM 0 HE ARG A 179 -37.104 -13.626 6.611 1.00 0.00 H new ATOM 0 HH11 ARG A 179 -37.767 -14.834 3.335 1.00 0.00 H new ATOM 0 HH12 ARG A 179 -39.460 -15.173 3.706 1.00 0.00 H new ATOM 0 HH21 ARG A 179 -39.221 -14.096 7.046 1.00 0.00 H new ATOM 0 HH22 ARG A 179 -40.276 -14.757 5.793 1.00 0.00 H new ATOM 1101 N LYS A 180 -32.896 -12.026 7.922 1.00 0.00 N ATOM 1102 CA LYS A 180 -32.576 -12.586 9.239 1.00 0.00 C ATOM 1103 C LYS A 180 -32.142 -11.480 10.199 1.00 0.00 C ATOM 1104 O LYS A 180 -32.614 -11.433 11.334 1.00 0.00 O ATOM 1105 CB LYS A 180 -31.492 -13.694 9.147 1.00 0.00 C ATOM 1106 CG LYS A 180 -31.244 -14.488 10.459 1.00 0.00 C ATOM 1107 CD LYS A 180 -32.535 -15.136 11.028 1.00 0.00 C ATOM 1108 CE LYS A 180 -33.200 -16.138 10.056 1.00 0.00 C ATOM 1109 NZ LYS A 180 -34.543 -16.552 10.529 1.00 0.00 N ATOM 0 H LYS A 180 -32.268 -12.336 7.180 1.00 0.00 H new ATOM 0 HA LYS A 180 -33.481 -13.051 9.629 1.00 0.00 H new ATOM 0 HB2 LYS A 180 -31.779 -14.397 8.365 1.00 0.00 H new ATOM 0 HB3 LYS A 180 -30.553 -13.236 8.835 1.00 0.00 H new ATOM 0 HG2 LYS A 180 -30.505 -15.267 10.272 1.00 0.00 H new ATOM 0 HG3 LYS A 180 -30.819 -13.819 11.207 1.00 0.00 H new ATOM 0 HD2 LYS A 180 -32.295 -15.650 11.959 1.00 0.00 H new ATOM 0 HD3 LYS A 180 -33.250 -14.350 11.273 1.00 0.00 H new ATOM 0 HE2 LYS A 180 -33.286 -15.685 9.068 1.00 0.00 H new ATOM 0 HE3 LYS A 180 -32.565 -17.017 9.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 180 -34.958 -17.224 9.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 180 -34.458 -17.007 11.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 180 -35.157 -15.716 10.607 1.00 0.00 H new ATOM 1123 N ARG A 181 -31.274 -10.568 9.722 1.00 0.00 N ATOM 1124 CA ARG A 181 -30.788 -9.454 10.551 1.00 0.00 C ATOM 1125 C ARG A 181 -31.907 -8.413 10.776 1.00 0.00 C ATOM 1126 O ARG A 181 -31.888 -7.688 11.775 1.00 0.00 O ATOM 1127 CB ARG A 181 -29.509 -8.798 9.955 1.00 0.00 C ATOM 1128 CG ARG A 181 -29.753 -7.794 8.814 1.00 0.00 C ATOM 1129 CD ARG A 181 -28.473 -7.091 8.346 1.00 0.00 C ATOM 1130 NE ARG A 181 -28.781 -5.899 7.528 1.00 0.00 N ATOM 1131 CZ ARG A 181 -27.891 -4.951 7.183 1.00 0.00 C ATOM 1132 NH1 ARG A 181 -26.612 -5.062 7.521 1.00 0.00 N ATOM 1133 NH2 ARG A 181 -28.290 -3.892 6.493 1.00 0.00 N ATOM 0 H ARG A 181 -30.898 -10.582 8.774 1.00 0.00 H new ATOM 0 HA ARG A 181 -30.506 -9.864 11.521 1.00 0.00 H new ATOM 0 HB2 ARG A 181 -28.975 -8.288 10.757 1.00 0.00 H new ATOM 0 HB3 ARG A 181 -28.854 -9.588 9.588 1.00 0.00 H new ATOM 0 HG2 ARG A 181 -30.203 -8.316 7.969 1.00 0.00 H new ATOM 0 HG3 ARG A 181 -30.472 -7.044 9.145 1.00 0.00 H new ATOM 0 HD2 ARG A 181 -27.880 -6.797 9.212 1.00 0.00 H new ATOM 0 HD3 ARG A 181 -27.866 -7.786 7.765 1.00 0.00 H new ATOM 0 HE ARG A 181 -29.740 -5.787 7.200 1.00 0.00 H new ATOM 0 HH11 ARG A 181 -26.293 -5.874 8.049 1.00 0.00 H new ATOM 0 HH12 ARG A 181 -25.949 -4.335 7.252 1.00 0.00 H new ATOM 0 HH21 ARG A 181 -29.270 -3.797 6.225 1.00 0.00 H new ATOM 0 HH22 ARG A 181 -27.617 -3.172 6.230 1.00 0.00 H new ATOM 1147 N GLU A 182 -32.881 -8.345 9.838 1.00 0.00 N ATOM 1148 CA GLU A 182 -34.040 -7.441 9.956 1.00 0.00 C ATOM 1149 C GLU A 182 -35.046 -7.948 11.011 1.00 0.00 C ATOM 1150 O GLU A 182 -35.599 -7.143 11.772 1.00 0.00 O ATOM 1151 CB GLU A 182 -34.752 -7.254 8.590 1.00 0.00 C ATOM 1152 CG GLU A 182 -33.886 -6.644 7.469 1.00 0.00 C ATOM 1153 CD GLU A 182 -33.161 -5.344 7.864 1.00 0.00 C ATOM 1154 OE1 GLU A 182 -33.836 -4.311 8.050 1.00 0.00 O ATOM 1155 OE2 GLU A 182 -31.912 -5.345 7.981 1.00 0.00 O ATOM 0 H GLU A 182 -32.883 -8.910 8.989 1.00 0.00 H new ATOM 0 HA GLU A 182 -33.658 -6.474 10.282 1.00 0.00 H new ATOM 0 HB2 GLU A 182 -35.119 -8.224 8.255 1.00 0.00 H new ATOM 0 HB3 GLU A 182 -35.624 -6.618 8.739 1.00 0.00 H new ATOM 0 HG2 GLU A 182 -33.144 -7.380 7.158 1.00 0.00 H new ATOM 0 HG3 GLU A 182 -34.519 -6.445 6.604 1.00 0.00 H new ATOM 1162 N ASN A 183 -35.295 -9.282 11.052 1.00 0.00 N ATOM 1163 CA ASN A 183 -36.253 -9.870 12.029 1.00 0.00 C ATOM 1164 C ASN A 183 -35.594 -10.021 13.406 1.00 0.00 C ATOM 1165 O ASN A 183 -36.279 -10.040 14.431 1.00 0.00 O ATOM 1166 CB ASN A 183 -36.854 -11.228 11.547 1.00 0.00 C ATOM 1167 CG ASN A 183 -35.909 -12.435 11.596 1.00 0.00 C ATOM 1168 OD1 ASN A 183 -35.313 -12.808 10.605 1.00 0.00 O ATOM 1169 ND2 ASN A 183 -35.787 -13.070 12.756 1.00 0.00 N ATOM 0 H ASN A 183 -34.855 -9.962 10.432 1.00 0.00 H new ATOM 0 HA ASN A 183 -37.088 -9.174 12.110 1.00 0.00 H new ATOM 0 HB2 ASN A 183 -37.730 -11.452 12.156 1.00 0.00 H new ATOM 0 HB3 ASN A 183 -37.202 -11.105 10.521 1.00 0.00 H new ATOM 0 HD21 ASN A 183 -35.183 -13.889 12.828 1.00 0.00 H new ATOM 0 HD22 ASN A 183 -36.297 -12.739 13.575 1.00 0.00 H new ATOM 1176 N MET A 184 -34.258 -10.156 13.405 1.00 0.00 N ATOM 1177 CA MET A 184 -33.435 -10.139 14.630 1.00 0.00 C ATOM 1178 C MET A 184 -33.249 -8.683 15.113 1.00 0.00 C ATOM 1179 O MET A 184 -32.938 -8.436 16.291 1.00 0.00 O ATOM 1180 CB MET A 184 -32.069 -10.832 14.367 1.00 0.00 C ATOM 1181 CG MET A 184 -31.180 -11.011 15.608 1.00 0.00 C ATOM 1182 SD MET A 184 -31.977 -11.988 16.904 1.00 0.00 S ATOM 1183 CE MET A 184 -32.157 -13.586 16.119 1.00 0.00 C ATOM 0 H MET A 184 -33.714 -10.281 12.551 1.00 0.00 H new ATOM 0 HA MET A 184 -33.942 -10.696 15.418 1.00 0.00 H new ATOM 0 HB2 MET A 184 -32.255 -11.812 13.928 1.00 0.00 H new ATOM 0 HB3 MET A 184 -31.520 -10.250 13.627 1.00 0.00 H new ATOM 0 HG2 MET A 184 -30.248 -11.495 15.315 1.00 0.00 H new ATOM 0 HG3 MET A 184 -30.919 -10.031 16.007 1.00 0.00 H new ATOM 0 HE1 MET A 184 -32.416 -14.333 16.869 1.00 0.00 H new ATOM 0 HE2 MET A 184 -32.947 -13.536 15.369 1.00 0.00 H new ATOM 0 HE3 MET A 184 -31.218 -13.864 15.640 1.00 0.00 H new ATOM 1193 N SER A 185 -33.438 -7.733 14.165 1.00 0.00 N ATOM 1194 CA SER A 185 -33.463 -6.278 14.411 1.00 0.00 C ATOM 1195 C SER A 185 -32.083 -5.751 14.871 1.00 0.00 C ATOM 1196 O SER A 185 -31.979 -4.670 15.464 1.00 0.00 O ATOM 1197 CB SER A 185 -34.602 -5.914 15.415 1.00 0.00 C ATOM 1198 OG SER A 185 -34.796 -4.514 15.530 1.00 0.00 O ATOM 0 H SER A 185 -33.581 -7.968 13.183 1.00 0.00 H new ATOM 0 HA SER A 185 -33.682 -5.776 13.469 1.00 0.00 H new ATOM 0 HB2 SER A 185 -35.532 -6.381 15.090 1.00 0.00 H new ATOM 0 HB3 SER A 185 -34.364 -6.327 16.395 1.00 0.00 H new ATOM 0 HG SER A 185 -33.926 -4.063 15.535 1.00 0.00 H new ATOM 1204 N ASP A 186 -31.025 -6.517 14.567 1.00 0.00 N ATOM 1205 CA ASP A 186 -29.645 -6.178 14.951 1.00 0.00 C ATOM 1206 C ASP A 186 -28.959 -5.386 13.831 1.00 0.00 C ATOM 1207 O ASP A 186 -29.305 -5.525 12.650 1.00 0.00 O ATOM 1208 CB ASP A 186 -28.838 -7.461 15.294 1.00 0.00 C ATOM 1209 CG ASP A 186 -28.563 -8.371 14.079 1.00 0.00 C ATOM 1210 OD1 ASP A 186 -29.531 -8.891 13.507 1.00 0.00 O ATOM 1211 OD2 ASP A 186 -27.388 -8.560 13.685 1.00 0.00 O ATOM 0 H ASP A 186 -31.101 -7.391 14.047 1.00 0.00 H new ATOM 0 HA ASP A 186 -29.679 -5.553 15.843 1.00 0.00 H new ATOM 0 HB2 ASP A 186 -27.887 -7.171 15.741 1.00 0.00 H new ATOM 0 HB3 ASP A 186 -29.383 -8.031 16.046 1.00 0.00 H new ATOM 1216 N GLY A 187 -27.981 -4.563 14.218 1.00 0.00 N ATOM 1217 CA GLY A 187 -27.225 -3.725 13.288 1.00 0.00 C ATOM 1218 C GLY A 187 -25.945 -3.207 13.919 1.00 0.00 C ATOM 1219 O GLY A 187 -25.869 -3.089 15.155 1.00 0.00 O ATOM 0 H GLY A 187 -27.691 -4.460 15.190 1.00 0.00 H new ATOM 0 HA2 GLY A 187 -26.984 -4.299 12.393 1.00 0.00 H new ATOM 0 HA3 GLY A 187 -27.842 -2.884 12.971 1.00 0.00 H new ATOM 1223 N ASP A 188 -24.940 -2.892 13.081 1.00 0.00 N ATOM 1224 CA ASP A 188 -23.611 -2.442 13.544 1.00 0.00 C ATOM 1225 C ASP A 188 -23.704 -1.032 14.199 1.00 0.00 C ATOM 1226 O ASP A 188 -24.280 -0.110 13.583 1.00 0.00 O ATOM 1227 CB ASP A 188 -22.570 -2.485 12.383 1.00 0.00 C ATOM 1228 CG ASP A 188 -22.875 -1.536 11.206 1.00 0.00 C ATOM 1229 OD1 ASP A 188 -23.808 -1.824 10.425 1.00 0.00 O ATOM 1230 OD2 ASP A 188 -22.182 -0.501 11.047 1.00 0.00 O ATOM 1231 OXT ASP A 188 -23.220 -0.858 15.334 1.00 0.00 O ATOM 0 H ASP A 188 -25.024 -2.942 12.066 1.00 0.00 H new ATOM 0 HA ASP A 188 -23.260 -3.132 14.311 1.00 0.00 H new ATOM 0 HB2 ASP A 188 -21.588 -2.238 12.785 1.00 0.00 H new ATOM 0 HB3 ASP A 188 -22.512 -3.505 12.003 1.00 0.00 H new TER 1236 ASP A 188 HETATM 1237 ZN ZN A 201 -23.630 -15.617 4.489 1.00 0.00 ZN HETATM 1238 ZN ZN A 202 -14.611 -21.669 -3.396 1.00 0.00 ZN