USER MOD reduce.3.24.130724 H: found=0, std=0, add=404, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 405 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 119 HIS HE2 : A 119 HIS NE2 : A 156 ZNZN :(H bumps) USER MOD Set 1.1: A 139 SER OG : rot 132:sc= 0.972 USER MOD Set 1.2: A 141 TYR OH : rot 87:sc= 2.21 USER MOD Set 2.1: A 125 LYS NZ :NH3+ -172:sc= 1.34 (180deg=0.556) USER MOD Set 2.2: A 127 THR OG1 : rot 146:sc= 2.03 USER MOD Single : A 94 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 167:sc= 1.2 (180deg=1.08) USER MOD Single : A 102 SER OG : rot -100:sc= -0.0447 USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot 180:sc= -0.125 USER MOD Single : A 114 SER OG : rot 180:sc= 0.0938 USER MOD Single : A 118 SER OG : rot 12:sc= 1.17 USER MOD Single : A 120 THR OG1 : rot 180:sc= 0.148 USER MOD Single : A 122 MET CE :methyl 145:sc= -2.03 (180deg=-3.98) USER MOD Single : A 129 ASN : amide:sc= -0.17 X(o=-0.17,f=0) USER MOD Single : A 142 LYS NZ :NH3+ -138:sc= 1.22 (180deg=0.46) USER MOD Single : A 144 ASN : amide:sc= -1.96 K(o=-2,f=-6.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 94 -5.720 -8.542 -0.347 1.00 0.60 N ATOM 2 CA MET A 94 -6.218 -8.099 0.951 1.00 0.62 C ATOM 3 C MET A 94 -5.917 -8.970 2.172 1.00 0.81 C ATOM 4 O MET A 94 -6.227 -8.607 3.300 1.00 1.91 O ATOM 5 CB MET A 94 -7.732 -7.971 0.804 1.00 0.63 C ATOM 6 CG MET A 94 -8.177 -7.221 -0.461 1.00 0.64 C ATOM 7 SD MET A 94 -9.661 -6.200 -0.307 1.00 0.95 S ATOM 8 CE MET A 94 -10.920 -7.497 -0.180 1.00 2.13 C ATOM 0 HA MET A 94 -5.686 -7.174 1.171 1.00 0.62 H new ATOM 0 HB2 MET A 94 -8.171 -8.969 0.796 1.00 0.63 H new ATOM 0 HB3 MET A 94 -8.129 -7.455 1.678 1.00 0.63 H new ATOM 0 HG2 MET A 94 -7.355 -6.583 -0.787 1.00 0.64 H new ATOM 0 HG3 MET A 94 -8.346 -7.953 -1.251 1.00 0.64 H new ATOM 0 HE1 MET A 94 -11.904 -7.040 -0.078 1.00 2.13 H new ATOM 0 HE2 MET A 94 -10.898 -8.115 -1.078 1.00 2.13 H new ATOM 0 HE3 MET A 94 -10.716 -8.118 0.693 1.00 2.13 H new ATOM 18 N LYS A 95 -5.314 -10.129 1.967 1.00 0.88 N ATOM 19 CA LYS A 95 -4.780 -10.937 3.054 1.00 0.84 C ATOM 20 C LYS A 95 -3.687 -10.206 3.854 1.00 0.80 C ATOM 21 O LYS A 95 -3.800 -10.031 5.066 1.00 1.34 O ATOM 22 CB LYS A 95 -4.254 -12.261 2.463 1.00 0.90 C ATOM 23 CG LYS A 95 -3.411 -12.152 1.165 1.00 0.84 C ATOM 24 CD LYS A 95 -1.983 -12.635 1.421 1.00 0.85 C ATOM 25 CE LYS A 95 -1.000 -12.599 0.243 1.00 0.94 C ATOM 26 NZ LYS A 95 0.385 -12.868 0.727 1.00 1.99 N ATOM 0 H LYS A 95 -5.180 -10.538 1.042 1.00 0.88 H new ATOM 0 HA LYS A 95 -5.580 -11.137 3.767 1.00 0.84 H new ATOM 0 HB2 LYS A 95 -3.649 -12.757 3.222 1.00 0.90 H new ATOM 0 HB3 LYS A 95 -5.108 -12.908 2.262 1.00 0.90 H new ATOM 0 HG2 LYS A 95 -3.868 -12.748 0.375 1.00 0.84 H new ATOM 0 HG3 LYS A 95 -3.397 -11.119 0.818 1.00 0.84 H new ATOM 0 HD2 LYS A 95 -1.564 -12.033 2.227 1.00 0.85 H new ATOM 0 HD3 LYS A 95 -2.035 -13.661 1.784 1.00 0.85 H new ATOM 0 HE2 LYS A 95 -1.285 -13.342 -0.502 1.00 0.94 H new ATOM 0 HE3 LYS A 95 -1.041 -11.626 -0.246 1.00 0.94 H new ATOM 0 HZ1 LYS A 95 1.005 -13.060 -0.085 1.00 1.99 H new ATOM 0 HZ2 LYS A 95 0.739 -12.038 1.245 1.00 1.99 H new ATOM 0 HZ3 LYS A 95 0.377 -13.693 1.360 1.00 1.99 H new ATOM 40 N ASP A 96 -2.646 -9.803 3.128 1.00 0.67 N ATOM 41 CA ASP A 96 -1.259 -9.544 3.546 1.00 0.71 C ATOM 42 C ASP A 96 -0.337 -9.466 2.290 1.00 0.74 C ATOM 43 O ASP A 96 0.337 -10.423 1.913 1.00 0.93 O ATOM 44 CB ASP A 96 -0.819 -10.603 4.556 1.00 0.95 C ATOM 45 CG ASP A 96 0.680 -10.546 4.825 1.00 1.45 C ATOM 46 OD1 ASP A 96 1.158 -9.410 5.029 1.00 1.97 O ATOM 47 OD2 ASP A 96 1.303 -11.626 4.745 1.00 2.74 O ATOM 0 H ASP A 96 -2.759 -9.631 2.129 1.00 0.67 H new ATOM 0 HA ASP A 96 -1.184 -8.580 4.050 1.00 0.71 H new ATOM 0 HB2 ASP A 96 -1.361 -10.460 5.491 1.00 0.95 H new ATOM 0 HB3 ASP A 96 -1.083 -11.592 4.183 1.00 0.95 H new ATOM 52 N PRO A 97 -0.435 -8.363 1.539 1.00 0.60 N ATOM 53 CA PRO A 97 0.235 -8.109 0.264 1.00 0.68 C ATOM 54 C PRO A 97 1.618 -7.478 0.429 1.00 0.67 C ATOM 55 O PRO A 97 2.569 -7.838 -0.258 1.00 1.06 O ATOM 56 CB PRO A 97 -0.690 -7.098 -0.420 1.00 0.65 C ATOM 57 CG PRO A 97 -1.335 -6.330 0.739 1.00 0.50 C ATOM 58 CD PRO A 97 -1.463 -7.391 1.800 1.00 0.49 C ATOM 0 HA PRO A 97 0.398 -9.036 -0.286 1.00 0.68 H new ATOM 0 HB2 PRO A 97 -0.133 -6.431 -1.078 1.00 0.65 H new ATOM 0 HB3 PRO A 97 -1.441 -7.597 -1.033 1.00 0.65 H new ATOM 0 HG2 PRO A 97 -0.714 -5.498 1.070 1.00 0.50 H new ATOM 0 HG3 PRO A 97 -2.304 -5.914 0.461 1.00 0.50 H new ATOM 0 HD2 PRO A 97 -1.345 -6.960 2.794 1.00 0.49 H new ATOM 0 HD3 PRO A 97 -2.450 -7.853 1.768 1.00 0.49 H new ATOM 66 N ILE A 98 1.660 -6.459 1.283 1.00 0.46 N ATOM 67 CA ILE A 98 2.706 -5.483 1.535 1.00 0.49 C ATOM 68 C ILE A 98 2.488 -5.017 2.965 1.00 0.43 C ATOM 69 O ILE A 98 1.349 -4.842 3.396 1.00 0.38 O ATOM 70 CB ILE A 98 2.628 -4.246 0.615 1.00 0.55 C ATOM 71 CG1 ILE A 98 2.189 -4.482 -0.859 1.00 0.63 C ATOM 72 CG2 ILE A 98 3.967 -3.494 0.752 1.00 0.58 C ATOM 73 CD1 ILE A 98 3.276 -4.635 -1.917 1.00 0.58 C ATOM 0 H ILE A 98 0.859 -6.280 1.888 1.00 0.46 H new ATOM 0 HA ILE A 98 3.676 -5.946 1.353 1.00 0.49 H new ATOM 0 HB ILE A 98 1.793 -3.636 0.959 1.00 0.55 H new ATOM 0 HG12 ILE A 98 1.572 -5.380 -0.883 1.00 0.63 H new ATOM 0 HG13 ILE A 98 1.551 -3.649 -1.154 1.00 0.63 H new ATOM 0 HG21 ILE A 98 3.954 -2.609 0.116 1.00 0.58 H new ATOM 0 HG22 ILE A 98 4.110 -3.193 1.790 1.00 0.58 H new ATOM 0 HG23 ILE A 98 4.784 -4.148 0.448 1.00 0.58 H new ATOM 0 HD11 ILE A 98 2.815 -4.793 -2.892 1.00 0.58 H new ATOM 0 HD12 ILE A 98 3.885 -3.732 -1.946 1.00 0.58 H new ATOM 0 HD13 ILE A 98 3.906 -5.490 -1.671 1.00 0.58 H new ATOM 85 N ILE A 99 3.579 -4.777 3.670 1.00 0.47 N ATOM 86 CA ILE A 99 3.589 -4.423 5.081 1.00 0.43 C ATOM 87 C ILE A 99 4.171 -3.040 5.313 1.00 0.43 C ATOM 88 O ILE A 99 5.226 -2.699 4.789 1.00 0.51 O ATOM 89 CB ILE A 99 4.359 -5.512 5.847 1.00 0.49 C ATOM 90 CG1 ILE A 99 3.515 -6.800 5.866 1.00 0.59 C ATOM 91 CG2 ILE A 99 4.757 -5.079 7.267 1.00 0.53 C ATOM 92 CD1 ILE A 99 2.335 -6.768 6.851 1.00 0.62 C ATOM 0 H ILE A 99 4.514 -4.824 3.264 1.00 0.47 H new ATOM 0 HA ILE A 99 2.566 -4.376 5.453 1.00 0.43 H new ATOM 0 HB ILE A 99 5.299 -5.695 5.326 1.00 0.49 H new ATOM 0 HG12 ILE A 99 3.131 -6.984 4.863 1.00 0.59 H new ATOM 0 HG13 ILE A 99 4.161 -7.640 6.119 1.00 0.59 H new ATOM 0 HG21 ILE A 99 5.297 -5.889 7.757 1.00 0.53 H new ATOM 0 HG22 ILE A 99 5.396 -4.198 7.213 1.00 0.53 H new ATOM 0 HG23 ILE A 99 3.860 -4.842 7.840 1.00 0.53 H new ATOM 0 HD11 ILE A 99 1.794 -7.713 6.801 1.00 0.62 H new ATOM 0 HD12 ILE A 99 2.710 -6.618 7.863 1.00 0.62 H new ATOM 0 HD13 ILE A 99 1.663 -5.951 6.588 1.00 0.62 H new ATOM 104 N ILE A 100 3.474 -2.275 6.144 1.00 0.38 N ATOM 105 CA ILE A 100 3.770 -0.898 6.534 1.00 0.39 C ATOM 106 C ILE A 100 3.781 -0.826 8.058 1.00 0.42 C ATOM 107 O ILE A 100 2.770 -1.121 8.692 1.00 0.43 O ATOM 108 CB ILE A 100 2.688 0.022 5.928 1.00 0.36 C ATOM 109 CG1 ILE A 100 2.687 -0.106 4.377 1.00 0.38 C ATOM 110 CG2 ILE A 100 2.869 1.487 6.368 1.00 0.44 C ATOM 111 CD1 ILE A 100 4.012 0.283 3.706 1.00 0.46 C ATOM 0 H ILE A 100 2.628 -2.623 6.596 1.00 0.38 H new ATOM 0 HA ILE A 100 4.743 -0.573 6.165 1.00 0.39 H new ATOM 0 HB ILE A 100 1.718 -0.302 6.306 1.00 0.36 H new ATOM 0 HG12 ILE A 100 2.447 -1.135 4.110 1.00 0.38 H new ATOM 0 HG13 ILE A 100 1.892 0.521 3.974 1.00 0.38 H new ATOM 0 HG21 ILE A 100 2.088 2.101 5.920 1.00 0.44 H new ATOM 0 HG22 ILE A 100 2.803 1.552 7.454 1.00 0.44 H new ATOM 0 HG23 ILE A 100 3.845 1.847 6.042 1.00 0.44 H new ATOM 0 HD11 ILE A 100 3.922 0.164 2.626 1.00 0.46 H new ATOM 0 HD12 ILE A 100 4.246 1.322 3.938 1.00 0.46 H new ATOM 0 HD13 ILE A 100 4.810 -0.360 4.077 1.00 0.46 H new ATOM 123 N GLU A 101 4.936 -0.460 8.614 1.00 0.60 N ATOM 124 CA GLU A 101 5.216 -0.396 10.058 1.00 0.65 C ATOM 125 C GLU A 101 4.509 0.797 10.714 1.00 0.72 C ATOM 126 O GLU A 101 4.567 1.922 10.215 1.00 0.96 O ATOM 127 CB GLU A 101 6.742 -0.347 10.310 1.00 0.88 C ATOM 128 CG GLU A 101 7.192 -1.498 11.214 1.00 0.97 C ATOM 129 CD GLU A 101 8.704 -1.531 11.466 1.00 1.80 C ATOM 130 OE1 GLU A 101 9.460 -1.576 10.470 1.00 2.47 O ATOM 131 OE2 GLU A 101 9.073 -1.557 12.661 1.00 2.83 O ATOM 0 H GLU A 101 5.741 -0.187 8.050 1.00 0.60 H new ATOM 0 HA GLU A 101 4.820 -1.301 10.519 1.00 0.65 H new ATOM 0 HB2 GLU A 101 7.272 -0.400 9.359 1.00 0.88 H new ATOM 0 HB3 GLU A 101 7.007 0.605 10.770 1.00 0.88 H new ATOM 0 HG2 GLU A 101 6.675 -1.420 12.170 1.00 0.97 H new ATOM 0 HG3 GLU A 101 6.887 -2.442 10.763 1.00 0.97 H new ATOM 138 N SER A 102 3.852 0.572 11.852 1.00 0.72 N ATOM 139 CA SER A 102 3.061 1.603 12.522 1.00 0.91 C ATOM 140 C SER A 102 2.740 1.249 13.971 1.00 1.38 C ATOM 141 O SER A 102 1.894 0.403 14.223 1.00 2.91 O ATOM 142 CB SER A 102 1.755 1.761 11.741 1.00 0.86 C ATOM 143 OG SER A 102 0.785 2.533 12.430 1.00 1.83 O ATOM 0 H SER A 102 3.853 -0.327 12.334 1.00 0.72 H new ATOM 0 HA SER A 102 3.640 2.526 12.543 1.00 0.91 H new ATOM 0 HB2 SER A 102 1.968 2.229 10.780 1.00 0.86 H new ATOM 0 HB3 SER A 102 1.343 0.774 11.531 1.00 0.86 H new ATOM 0 HG SER A 102 0.134 1.937 12.855 1.00 1.83 H new ATOM 149 N TYR A 103 3.313 1.983 14.924 1.00 0.92 N ATOM 150 CA TYR A 103 3.035 1.849 16.363 1.00 0.98 C ATOM 151 C TYR A 103 1.756 2.613 16.785 1.00 1.01 C ATOM 152 O TYR A 103 1.561 2.913 17.962 1.00 1.35 O ATOM 153 CB TYR A 103 4.296 2.286 17.136 1.00 1.20 C ATOM 154 CG TYR A 103 5.397 1.238 17.190 1.00 1.57 C ATOM 155 CD1 TYR A 103 5.950 0.700 16.010 1.00 1.71 C ATOM 156 CD2 TYR A 103 5.860 0.776 18.438 1.00 3.32 C ATOM 157 CE1 TYR A 103 6.939 -0.293 16.071 1.00 1.96 C ATOM 158 CE2 TYR A 103 6.862 -0.208 18.516 1.00 3.78 C ATOM 159 CZ TYR A 103 7.409 -0.742 17.326 1.00 2.58 C ATOM 160 OH TYR A 103 8.368 -1.704 17.378 1.00 3.14 O ATOM 0 H TYR A 103 4.001 2.707 14.717 1.00 0.92 H new ATOM 0 HA TYR A 103 2.819 0.809 16.608 1.00 0.98 H new ATOM 0 HB2 TYR A 103 4.694 3.190 16.675 1.00 1.20 H new ATOM 0 HB3 TYR A 103 4.010 2.547 18.155 1.00 1.20 H new ATOM 0 HD1 TYR A 103 5.609 1.056 15.049 1.00 1.71 H new ATOM 0 HD2 TYR A 103 5.440 1.183 19.346 1.00 3.32 H new ATOM 0 HE1 TYR A 103 7.340 -0.714 15.161 1.00 1.96 H new ATOM 0 HE2 TYR A 103 7.211 -0.553 19.478 1.00 3.78 H new ATOM 0 HH TYR A 103 8.583 -1.901 18.314 1.00 3.14 H new ATOM 170 N ASP A 104 0.938 2.959 15.785 1.00 0.83 N ATOM 171 CA ASP A 104 -0.098 3.997 15.778 1.00 0.88 C ATOM 172 C ASP A 104 -1.429 3.529 15.129 1.00 1.25 C ATOM 173 O ASP A 104 -2.266 4.360 14.795 1.00 2.91 O ATOM 174 CB ASP A 104 0.427 5.231 15.002 1.00 1.03 C ATOM 175 CG ASP A 104 1.943 5.494 15.043 1.00 1.72 C ATOM 176 OD1 ASP A 104 2.694 4.844 14.275 1.00 3.00 O ATOM 177 OD2 ASP A 104 2.382 6.480 15.673 1.00 2.42 O ATOM 0 H ASP A 104 0.988 2.480 14.886 1.00 0.83 H new ATOM 0 HA ASP A 104 -0.312 4.239 16.819 1.00 0.88 H new ATOM 0 HB2 ASP A 104 0.130 5.125 13.958 1.00 1.03 H new ATOM 0 HB3 ASP A 104 -0.080 6.115 15.389 1.00 1.03 H new ATOM 182 N ASP A 105 -1.582 2.225 14.857 1.00 0.85 N ATOM 183 CA ASP A 105 -2.777 1.494 14.359 1.00 0.70 C ATOM 184 C ASP A 105 -3.388 1.908 12.995 1.00 0.65 C ATOM 185 O ASP A 105 -4.160 1.146 12.413 1.00 0.87 O ATOM 186 CB ASP A 105 -3.892 1.467 15.425 1.00 0.81 C ATOM 187 CG ASP A 105 -3.493 0.772 16.731 1.00 1.95 C ATOM 188 OD1 ASP A 105 -3.092 -0.410 16.641 1.00 2.70 O ATOM 189 OD2 ASP A 105 -3.642 1.402 17.802 1.00 3.11 O ATOM 0 H ASP A 105 -0.800 1.584 14.990 1.00 0.85 H new ATOM 0 HA ASP A 105 -2.360 0.506 14.164 1.00 0.70 H new ATOM 0 HB2 ASP A 105 -4.191 2.491 15.648 1.00 0.81 H new ATOM 0 HB3 ASP A 105 -4.765 0.963 15.010 1.00 0.81 H new ATOM 194 N TYR A 106 -3.080 3.084 12.444 1.00 0.63 N ATOM 195 CA TYR A 106 -3.782 3.683 11.293 1.00 0.79 C ATOM 196 C TYR A 106 -2.911 4.599 10.413 1.00 0.89 C ATOM 197 O TYR A 106 -3.440 5.357 9.591 1.00 1.74 O ATOM 198 CB TYR A 106 -5.070 4.377 11.787 1.00 0.98 C ATOM 199 CG TYR A 106 -4.939 5.146 13.092 1.00 0.81 C ATOM 200 CD1 TYR A 106 -4.158 6.317 13.162 1.00 2.09 C ATOM 201 CD2 TYR A 106 -5.546 4.635 14.256 1.00 1.71 C ATOM 202 CE1 TYR A 106 -3.955 6.956 14.403 1.00 2.34 C ATOM 203 CE2 TYR A 106 -5.358 5.273 15.494 1.00 1.75 C ATOM 204 CZ TYR A 106 -4.559 6.437 15.574 1.00 1.39 C ATOM 205 OH TYR A 106 -4.350 7.041 16.778 1.00 1.92 O ATOM 0 H TYR A 106 -2.317 3.666 12.790 1.00 0.63 H new ATOM 0 HA TYR A 106 -4.047 2.869 10.618 1.00 0.79 H new ATOM 0 HB2 TYR A 106 -5.411 5.064 11.013 1.00 0.98 H new ATOM 0 HB3 TYR A 106 -5.846 3.621 11.907 1.00 0.98 H new ATOM 0 HD1 TYR A 106 -3.715 6.725 12.266 1.00 2.09 H new ATOM 0 HD2 TYR A 106 -6.159 3.748 14.197 1.00 1.71 H new ATOM 0 HE1 TYR A 106 -3.339 7.841 14.460 1.00 2.34 H new ATOM 0 HE2 TYR A 106 -5.823 4.875 16.383 1.00 1.75 H new ATOM 0 HH TYR A 106 -4.839 6.557 17.476 1.00 1.92 H new ATOM 215 N ARG A 107 -1.586 4.535 10.572 1.00 0.63 N ATOM 216 CA ARG A 107 -0.596 5.318 9.818 1.00 0.69 C ATOM 217 C ARG A 107 -0.754 5.160 8.294 1.00 0.83 C ATOM 218 O ARG A 107 -1.059 4.082 7.785 1.00 1.43 O ATOM 219 CB ARG A 107 0.793 4.883 10.300 1.00 0.84 C ATOM 220 CG ARG A 107 1.980 5.668 9.727 1.00 1.62 C ATOM 221 CD ARG A 107 3.283 5.294 10.454 1.00 1.94 C ATOM 222 NE ARG A 107 3.348 5.878 11.808 1.00 2.16 N ATOM 223 CZ ARG A 107 3.672 7.120 12.143 1.00 2.69 C ATOM 224 NH1 ARG A 107 3.957 8.027 11.231 1.00 3.25 N ATOM 225 NH2 ARG A 107 3.718 7.465 13.409 1.00 3.66 N ATOM 0 H ARG A 107 -1.154 3.913 11.255 1.00 0.63 H new ATOM 0 HA ARG A 107 -0.746 6.381 10.006 1.00 0.69 H new ATOM 0 HB2 ARG A 107 0.820 4.963 11.387 1.00 0.84 H new ATOM 0 HB3 ARG A 107 0.927 3.829 10.055 1.00 0.84 H new ATOM 0 HG2 ARG A 107 2.080 5.460 8.662 1.00 1.62 H new ATOM 0 HG3 ARG A 107 1.797 6.738 9.827 1.00 1.62 H new ATOM 0 HD2 ARG A 107 3.361 4.209 10.523 1.00 1.94 H new ATOM 0 HD3 ARG A 107 4.136 5.638 9.869 1.00 1.94 H new ATOM 0 HE ARG A 107 3.116 5.251 12.579 1.00 2.16 H new ATOM 0 HH11 ARG A 107 3.931 7.781 10.241 1.00 3.25 H new ATOM 0 HH12 ARG A 107 4.203 8.975 11.514 1.00 3.25 H new ATOM 0 HH21 ARG A 107 3.505 6.779 14.133 1.00 3.66 H new ATOM 0 HH22 ARG A 107 3.967 8.419 13.669 1.00 3.66 H new ATOM 239 N TYR A 108 -0.538 6.251 7.556 1.00 0.54 N ATOM 240 CA TYR A 108 -0.563 6.243 6.090 1.00 0.48 C ATOM 241 C TYR A 108 0.722 5.652 5.472 1.00 0.45 C ATOM 242 O TYR A 108 1.775 5.646 6.105 1.00 0.58 O ATOM 243 CB TYR A 108 -0.894 7.648 5.556 1.00 0.56 C ATOM 244 CG TYR A 108 0.313 8.542 5.442 1.00 0.61 C ATOM 245 CD1 TYR A 108 1.105 8.498 4.277 1.00 1.84 C ATOM 246 CD2 TYR A 108 0.685 9.346 6.532 1.00 2.08 C ATOM 247 CE1 TYR A 108 2.304 9.229 4.229 1.00 1.78 C ATOM 248 CE2 TYR A 108 1.871 10.093 6.475 1.00 2.23 C ATOM 249 CZ TYR A 108 2.690 10.033 5.327 1.00 0.91 C ATOM 250 OH TYR A 108 3.850 10.744 5.295 1.00 1.13 O ATOM 0 H TYR A 108 -0.340 7.167 7.958 1.00 0.54 H new ATOM 0 HA TYR A 108 -1.360 5.570 5.773 1.00 0.48 H new ATOM 0 HB2 TYR A 108 -1.363 7.556 4.576 1.00 0.56 H new ATOM 0 HB3 TYR A 108 -1.624 8.117 6.216 1.00 0.56 H new ATOM 0 HD1 TYR A 108 0.793 7.907 3.428 1.00 1.84 H new ATOM 0 HD2 TYR A 108 0.060 9.389 7.412 1.00 2.08 H new ATOM 0 HE1 TYR A 108 2.932 9.177 3.352 1.00 1.78 H new ATOM 0 HE2 TYR A 108 2.158 10.715 7.310 1.00 2.23 H new ATOM 0 HH TYR A 108 3.953 11.240 6.134 1.00 1.13 H new ATOM 260 N VAL A 109 0.622 5.168 4.235 1.00 0.44 N ATOM 261 CA VAL A 109 1.745 4.682 3.414 1.00 0.45 C ATOM 262 C VAL A 109 2.103 5.688 2.323 1.00 0.41 C ATOM 263 O VAL A 109 1.199 6.286 1.749 1.00 0.44 O ATOM 264 CB VAL A 109 1.424 3.314 2.775 1.00 0.55 C ATOM 265 CG1 VAL A 109 0.140 3.276 1.944 1.00 0.66 C ATOM 266 CG2 VAL A 109 2.576 2.819 1.899 1.00 0.71 C ATOM 0 H VAL A 109 -0.274 5.098 3.753 1.00 0.44 H new ATOM 0 HA VAL A 109 2.601 4.563 4.079 1.00 0.45 H new ATOM 0 HB VAL A 109 1.275 2.657 3.632 1.00 0.55 H new ATOM 0 HG11 VAL A 109 -0.000 2.275 1.537 1.00 0.66 H new ATOM 0 HG12 VAL A 109 -0.710 3.533 2.576 1.00 0.66 H new ATOM 0 HG13 VAL A 109 0.214 3.993 1.126 1.00 0.66 H new ATOM 0 HG21 VAL A 109 2.315 1.854 1.466 1.00 0.71 H new ATOM 0 HG22 VAL A 109 2.760 3.537 1.100 1.00 0.71 H new ATOM 0 HG23 VAL A 109 3.475 2.713 2.506 1.00 0.71 H new ATOM 276 N GLY A 110 3.392 5.805 1.992 1.00 0.46 N ATOM 277 CA GLY A 110 3.892 6.458 0.777 1.00 0.50 C ATOM 278 C GLY A 110 4.557 5.470 -0.180 1.00 0.47 C ATOM 279 O GLY A 110 5.735 5.163 -0.008 1.00 0.65 O ATOM 0 H GLY A 110 4.140 5.437 2.580 1.00 0.46 H new ATOM 0 HA2 GLY A 110 3.066 6.954 0.267 1.00 0.50 H new ATOM 0 HA3 GLY A 110 4.608 7.232 1.052 1.00 0.50 H new ATOM 283 N CYS A 111 3.816 5.015 -1.196 1.00 0.36 N ATOM 284 CA CYS A 111 4.300 4.164 -2.282 1.00 0.40 C ATOM 285 C CYS A 111 4.586 4.942 -3.589 1.00 0.38 C ATOM 286 O CYS A 111 3.966 5.975 -3.885 1.00 0.46 O ATOM 287 CB CYS A 111 3.272 3.032 -2.475 1.00 0.55 C ATOM 288 SG CYS A 111 2.913 2.490 -4.198 1.00 0.96 S ATOM 0 H CYS A 111 2.825 5.240 -1.285 1.00 0.36 H new ATOM 0 HA CYS A 111 5.270 3.746 -2.011 1.00 0.40 H new ATOM 0 HB2 CYS A 111 3.620 2.164 -1.915 1.00 0.55 H new ATOM 0 HB3 CYS A 111 2.334 3.349 -2.020 1.00 0.55 H new ATOM 293 N THR A 112 5.488 4.358 -4.392 1.00 0.51 N ATOM 294 CA THR A 112 5.825 4.781 -5.760 1.00 0.54 C ATOM 295 C THR A 112 5.680 3.691 -6.830 1.00 0.57 C ATOM 296 O THR A 112 6.171 3.847 -7.947 1.00 0.67 O ATOM 297 CB THR A 112 7.231 5.380 -5.813 1.00 0.65 C ATOM 298 OG1 THR A 112 8.133 4.448 -5.259 1.00 0.77 O ATOM 299 CG2 THR A 112 7.329 6.672 -5.019 1.00 0.66 C ATOM 0 H THR A 112 6.025 3.544 -4.094 1.00 0.51 H new ATOM 0 HA THR A 112 5.081 5.538 -6.007 1.00 0.54 H new ATOM 0 HB THR A 112 7.467 5.602 -6.854 1.00 0.65 H new ATOM 0 HG1 THR A 112 9.041 4.815 -5.287 1.00 0.77 H new ATOM 0 HG21 THR A 112 8.344 7.063 -5.084 1.00 0.66 H new ATOM 0 HG22 THR A 112 6.632 7.404 -5.427 1.00 0.66 H new ATOM 0 HG23 THR A 112 7.081 6.477 -3.976 1.00 0.66 H new ATOM 307 N GLY A 113 5.011 2.572 -6.534 1.00 0.60 N ATOM 308 CA GLY A 113 4.761 1.472 -7.486 1.00 0.71 C ATOM 309 C GLY A 113 5.639 0.230 -7.281 1.00 0.96 C ATOM 310 O GLY A 113 5.343 -0.851 -7.802 1.00 2.03 O ATOM 0 H GLY A 113 4.618 2.397 -5.609 1.00 0.60 H new ATOM 0 HA2 GLY A 113 3.715 1.176 -7.411 1.00 0.71 H new ATOM 0 HA3 GLY A 113 4.915 1.845 -8.499 1.00 0.71 H new ATOM 314 N SER A 114 6.746 0.385 -6.555 1.00 1.16 N ATOM 315 CA SER A 114 7.955 -0.449 -6.630 1.00 1.60 C ATOM 316 C SER A 114 9.048 0.129 -5.710 1.00 1.37 C ATOM 317 O SER A 114 9.041 1.344 -5.506 1.00 1.48 O ATOM 318 CB SER A 114 8.448 -0.447 -8.087 1.00 2.48 C ATOM 319 OG SER A 114 9.766 -0.929 -8.263 1.00 3.50 O ATOM 0 H SER A 114 6.833 1.130 -5.864 1.00 1.16 H new ATOM 0 HA SER A 114 7.731 -1.466 -6.307 1.00 1.60 H new ATOM 0 HB2 SER A 114 7.770 -1.054 -8.687 1.00 2.48 H new ATOM 0 HB3 SER A 114 8.392 0.570 -8.474 1.00 2.48 H new ATOM 0 HG SER A 114 10.002 -0.897 -9.214 1.00 3.50 H new ATOM 325 N PRO A 115 10.011 -0.677 -5.209 1.00 1.52 N ATOM 326 CA PRO A 115 11.191 -0.175 -4.495 1.00 1.67 C ATOM 327 C PRO A 115 12.054 0.792 -5.319 1.00 1.63 C ATOM 328 O PRO A 115 12.828 1.550 -4.743 1.00 2.23 O ATOM 329 CB PRO A 115 12.011 -1.417 -4.124 1.00 2.13 C ATOM 330 CG PRO A 115 11.533 -2.493 -5.096 1.00 2.26 C ATOM 331 CD PRO A 115 10.069 -2.129 -5.311 1.00 1.91 C ATOM 0 HA PRO A 115 10.867 0.403 -3.630 1.00 1.67 H new ATOM 0 HB2 PRO A 115 13.080 -1.233 -4.229 1.00 2.13 H new ATOM 0 HB3 PRO A 115 11.839 -1.712 -3.089 1.00 2.13 H new ATOM 0 HG2 PRO A 115 12.096 -2.474 -6.029 1.00 2.26 H new ATOM 0 HG3 PRO A 115 11.644 -3.494 -4.678 1.00 2.26 H new ATOM 0 HD2 PRO A 115 9.719 -2.468 -6.286 1.00 1.91 H new ATOM 0 HD3 PRO A 115 9.433 -2.601 -4.562 1.00 1.91 H new ATOM 339 N ALA A 116 11.939 0.770 -6.651 1.00 1.47 N ATOM 340 CA ALA A 116 12.630 1.694 -7.554 1.00 1.71 C ATOM 341 C ALA A 116 11.865 2.973 -7.867 1.00 1.73 C ATOM 342 O ALA A 116 12.371 3.855 -8.558 1.00 2.58 O ATOM 343 CB ALA A 116 12.881 0.927 -8.853 1.00 2.08 C ATOM 0 H ALA A 116 11.351 0.095 -7.141 1.00 1.47 H new ATOM 0 HA ALA A 116 13.544 2.024 -7.059 1.00 1.71 H new ATOM 0 HB1 ALA A 116 13.396 1.573 -9.564 1.00 2.08 H new ATOM 0 HB2 ALA A 116 13.497 0.052 -8.646 1.00 2.08 H new ATOM 0 HB3 ALA A 116 11.929 0.608 -9.277 1.00 2.08 H new ATOM 349 N GLY A 117 10.610 3.009 -7.445 1.00 1.20 N ATOM 350 CA GLY A 117 9.607 3.733 -8.198 1.00 1.29 C ATOM 351 C GLY A 117 9.188 2.991 -9.467 1.00 1.58 C ATOM 352 O GLY A 117 9.803 2.029 -9.928 1.00 3.11 O ATOM 0 H GLY A 117 10.269 2.552 -6.599 1.00 1.20 H new ATOM 0 HA2 GLY A 117 8.732 3.897 -7.569 1.00 1.29 H new ATOM 0 HA3 GLY A 117 9.996 4.716 -8.466 1.00 1.29 H new ATOM 356 N SER A 118 8.079 3.432 -10.021 1.00 0.71 N ATOM 357 CA SER A 118 7.453 2.971 -11.259 1.00 0.76 C ATOM 358 C SER A 118 6.381 3.948 -11.713 1.00 0.74 C ATOM 359 O SER A 118 6.352 4.298 -12.886 1.00 0.89 O ATOM 360 CB SER A 118 6.826 1.586 -11.079 1.00 0.81 C ATOM 361 OG SER A 118 7.814 0.578 -10.985 1.00 1.49 O ATOM 0 H SER A 118 7.542 4.183 -9.588 1.00 0.71 H new ATOM 0 HA SER A 118 8.234 2.910 -12.017 1.00 0.76 H new ATOM 0 HB2 SER A 118 6.210 1.578 -10.180 1.00 0.81 H new ATOM 0 HB3 SER A 118 6.166 1.372 -11.919 1.00 0.81 H new ATOM 0 HG SER A 118 8.694 0.993 -10.870 1.00 1.49 H new ATOM 367 N HIS A 119 5.551 4.440 -10.793 1.00 0.69 N ATOM 368 CA HIS A 119 4.710 5.605 -11.056 1.00 0.60 C ATOM 369 C HIS A 119 5.249 6.833 -10.278 1.00 0.74 C ATOM 370 O HIS A 119 6.433 6.861 -9.921 1.00 1.57 O ATOM 371 CB HIS A 119 3.266 5.166 -10.787 1.00 0.54 C ATOM 372 CG HIS A 119 2.908 5.058 -9.334 1.00 0.47 C ATOM 373 ND1 HIS A 119 2.589 6.093 -8.529 1.00 0.56 N ATOM 374 CD2 HIS A 119 2.724 3.903 -8.653 1.00 0.41 C ATOM 375 CE1 HIS A 119 2.304 5.634 -7.318 1.00 0.52 C ATOM 376 NE2 HIS A 119 2.283 4.293 -7.385 1.00 0.46 N ATOM 0 H HIS A 119 5.444 4.048 -9.857 1.00 0.69 H new ATOM 0 HA HIS A 119 4.732 5.956 -12.088 1.00 0.60 H new ATOM 0 HB2 HIS A 119 2.589 5.876 -11.263 1.00 0.54 H new ATOM 0 HB3 HIS A 119 3.099 4.199 -11.262 1.00 0.54 H new ATOM 0 HD1 HIS A 119 2.570 7.074 -8.808 1.00 0.56 H new ATOM 0 HD2 HIS A 119 2.883 2.897 -9.012 1.00 0.41 H new ATOM 0 HE1 HIS A 119 2.122 6.231 -6.437 1.00 0.52 H new ATOM 384 N THR A 120 4.414 7.851 -10.019 1.00 0.60 N ATOM 385 CA THR A 120 4.727 8.957 -9.084 1.00 0.61 C ATOM 386 C THR A 120 4.755 8.499 -7.620 1.00 0.55 C ATOM 387 O THR A 120 4.878 7.319 -7.345 1.00 0.55 O ATOM 388 CB THR A 120 3.760 10.108 -9.361 1.00 0.70 C ATOM 389 OG1 THR A 120 4.323 11.280 -8.824 1.00 0.82 O ATOM 390 CG2 THR A 120 2.378 9.873 -8.757 1.00 0.71 C ATOM 0 H THR A 120 3.495 7.936 -10.453 1.00 0.60 H new ATOM 0 HA THR A 120 5.741 9.316 -9.258 1.00 0.61 H new ATOM 0 HB THR A 120 3.617 10.191 -10.438 1.00 0.70 H new ATOM 0 HG1 THR A 120 3.723 12.037 -8.989 1.00 0.82 H new ATOM 0 HG21 THR A 120 1.732 10.721 -8.984 1.00 0.71 H new ATOM 0 HG22 THR A 120 1.946 8.965 -9.179 1.00 0.71 H new ATOM 0 HG23 THR A 120 2.467 9.764 -7.676 1.00 0.71 H new ATOM 398 N ILE A 121 4.599 9.411 -6.669 1.00 0.65 N ATOM 399 CA ILE A 121 4.319 9.164 -5.250 1.00 0.62 C ATOM 400 C ILE A 121 2.850 9.483 -4.942 1.00 0.64 C ATOM 401 O ILE A 121 2.294 10.448 -5.457 1.00 0.80 O ATOM 402 CB ILE A 121 5.295 9.989 -4.389 1.00 0.71 C ATOM 403 CG1 ILE A 121 5.157 9.686 -2.881 1.00 0.73 C ATOM 404 CG2 ILE A 121 5.131 11.503 -4.579 1.00 0.84 C ATOM 405 CD1 ILE A 121 6.015 8.523 -2.408 1.00 0.84 C ATOM 0 H ILE A 121 4.668 10.408 -6.875 1.00 0.65 H new ATOM 0 HA ILE A 121 4.473 8.112 -5.010 1.00 0.62 H new ATOM 0 HB ILE A 121 6.282 9.686 -4.739 1.00 0.71 H new ATOM 0 HG12 ILE A 121 5.426 10.578 -2.315 1.00 0.73 H new ATOM 0 HG13 ILE A 121 4.112 9.469 -2.657 1.00 0.73 H new ATOM 0 HG21 ILE A 121 5.846 12.029 -3.946 1.00 0.84 H new ATOM 0 HG22 ILE A 121 5.312 11.760 -5.623 1.00 0.84 H new ATOM 0 HG23 ILE A 121 4.118 11.797 -4.304 1.00 0.84 H new ATOM 0 HD11 ILE A 121 5.864 8.371 -1.339 1.00 0.84 H new ATOM 0 HD12 ILE A 121 5.731 7.619 -2.947 1.00 0.84 H new ATOM 0 HD13 ILE A 121 7.065 8.744 -2.599 1.00 0.84 H new ATOM 417 N MET A 122 2.229 8.693 -4.072 1.00 0.59 N ATOM 418 CA MET A 122 0.899 8.967 -3.517 1.00 0.81 C ATOM 419 C MET A 122 0.799 8.487 -2.061 1.00 0.66 C ATOM 420 O MET A 122 1.723 7.844 -1.564 1.00 0.69 O ATOM 421 CB MET A 122 -0.187 8.388 -4.445 1.00 1.27 C ATOM 422 CG MET A 122 -0.070 6.895 -4.714 1.00 0.93 C ATOM 423 SD MET A 122 -0.713 5.985 -3.324 1.00 2.97 S ATOM 424 CE MET A 122 0.739 5.101 -2.744 1.00 4.33 C ATOM 0 H MET A 122 2.640 7.827 -3.724 1.00 0.59 H new ATOM 0 HA MET A 122 0.731 10.043 -3.477 1.00 0.81 H new ATOM 0 HB2 MET A 122 -1.164 8.588 -4.005 1.00 1.27 H new ATOM 0 HB3 MET A 122 -0.151 8.918 -5.397 1.00 1.27 H new ATOM 0 HG2 MET A 122 -0.620 6.634 -5.618 1.00 0.93 H new ATOM 0 HG3 MET A 122 0.972 6.627 -4.886 1.00 0.93 H new ATOM 0 HE1 MET A 122 0.707 5.022 -1.657 1.00 4.33 H new ATOM 0 HE2 MET A 122 0.755 4.102 -3.180 1.00 4.33 H new ATOM 0 HE3 MET A 122 1.637 5.641 -3.042 1.00 4.33 H new ATOM 434 N TRP A 123 -0.315 8.792 -1.383 1.00 0.63 N ATOM 435 CA TRP A 123 -0.536 8.439 0.024 1.00 0.50 C ATOM 436 C TRP A 123 -1.826 7.620 0.224 1.00 0.52 C ATOM 437 O TRP A 123 -2.880 8.025 -0.268 1.00 0.78 O ATOM 438 CB TRP A 123 -0.572 9.714 0.886 1.00 0.61 C ATOM 439 CG TRP A 123 0.362 10.824 0.497 1.00 0.80 C ATOM 440 CD1 TRP A 123 -0.021 12.050 0.078 1.00 1.19 C ATOM 441 CD2 TRP A 123 1.825 10.842 0.477 1.00 0.91 C ATOM 442 NE1 TRP A 123 1.091 12.822 -0.188 1.00 1.32 N ATOM 443 CE2 TRP A 123 2.259 12.130 0.047 1.00 1.07 C ATOM 444 CE3 TRP A 123 2.829 9.900 0.777 1.00 1.27 C ATOM 445 CZ2 TRP A 123 3.615 12.474 -0.063 1.00 1.21 C ATOM 446 CZ3 TRP A 123 4.195 10.232 0.681 1.00 1.57 C ATOM 447 CH2 TRP A 123 4.589 11.515 0.263 1.00 1.42 C ATOM 0 H TRP A 123 -1.097 9.297 -1.801 1.00 0.63 H new ATOM 0 HA TRP A 123 0.296 7.809 0.339 1.00 0.50 H new ATOM 0 HB2 TRP A 123 -1.589 10.105 0.870 1.00 0.61 H new ATOM 0 HB3 TRP A 123 -0.354 9.433 1.916 1.00 0.61 H new ATOM 0 HD1 TRP A 123 -1.044 12.377 -0.032 1.00 1.19 H new ATOM 0 HE1 TRP A 123 1.053 13.786 -0.518 1.00 1.32 H new ATOM 0 HE3 TRP A 123 2.546 8.905 1.086 1.00 1.27 H new ATOM 0 HZ2 TRP A 123 3.906 13.460 -0.393 1.00 1.21 H new ATOM 0 HZ3 TRP A 123 4.945 9.496 0.930 1.00 1.57 H new ATOM 0 HH2 TRP A 123 5.638 11.763 0.193 1.00 1.42 H new ATOM 458 N LEU A 124 -1.778 6.516 0.987 1.00 0.46 N ATOM 459 CA LEU A 124 -2.951 5.662 1.286 1.00 0.54 C ATOM 460 C LEU A 124 -3.036 5.426 2.789 1.00 0.54 C ATOM 461 O LEU A 124 -2.020 5.512 3.472 1.00 0.49 O ATOM 462 CB LEU A 124 -2.883 4.287 0.579 1.00 0.59 C ATOM 463 CG LEU A 124 -2.251 4.308 -0.817 1.00 0.63 C ATOM 464 CD1 LEU A 124 -1.790 2.933 -1.281 1.00 0.67 C ATOM 465 CD2 LEU A 124 -3.264 4.817 -1.837 1.00 0.73 C ATOM 0 H LEU A 124 -0.917 6.183 1.421 1.00 0.46 H new ATOM 0 HA LEU A 124 -3.831 6.189 0.916 1.00 0.54 H new ATOM 0 HB2 LEU A 124 -2.317 3.600 1.208 1.00 0.59 H new ATOM 0 HB3 LEU A 124 -3.893 3.886 0.498 1.00 0.59 H new ATOM 0 HG LEU A 124 -1.382 4.962 -0.747 1.00 0.63 H new ATOM 0 HD11 LEU A 124 -1.351 3.013 -2.276 1.00 0.67 H new ATOM 0 HD12 LEU A 124 -1.045 2.545 -0.586 1.00 0.67 H new ATOM 0 HD13 LEU A 124 -2.643 2.255 -1.314 1.00 0.67 H new ATOM 0 HD21 LEU A 124 -2.808 4.829 -2.827 1.00 0.73 H new ATOM 0 HD22 LEU A 124 -4.133 4.159 -1.846 1.00 0.73 H new ATOM 0 HD23 LEU A 124 -3.575 5.826 -1.568 1.00 0.73 H new ATOM 477 N LYS A 125 -4.198 5.040 3.317 1.00 0.66 N ATOM 478 CA LYS A 125 -4.361 4.838 4.767 1.00 0.66 C ATOM 479 C LYS A 125 -4.897 3.439 5.124 1.00 0.62 C ATOM 480 O LYS A 125 -6.105 3.303 5.328 1.00 0.90 O ATOM 481 CB LYS A 125 -5.215 5.974 5.367 1.00 0.93 C ATOM 482 CG LYS A 125 -4.991 6.051 6.891 1.00 2.43 C ATOM 483 CD LYS A 125 -6.264 6.340 7.700 1.00 3.10 C ATOM 484 CE LYS A 125 -7.223 5.137 7.781 1.00 4.12 C ATOM 485 NZ LYS A 125 -6.666 4.030 8.597 1.00 5.21 N ATOM 0 H LYS A 125 -5.040 4.860 2.770 1.00 0.66 H new ATOM 0 HA LYS A 125 -3.371 4.882 5.222 1.00 0.66 H new ATOM 0 HB2 LYS A 125 -4.949 6.924 4.903 1.00 0.93 H new ATOM 0 HB3 LYS A 125 -6.270 5.799 5.154 1.00 0.93 H new ATOM 0 HG2 LYS A 125 -4.563 5.108 7.232 1.00 2.43 H new ATOM 0 HG3 LYS A 125 -4.256 6.829 7.100 1.00 2.43 H new ATOM 0 HD2 LYS A 125 -5.984 6.641 8.710 1.00 3.10 H new ATOM 0 HD3 LYS A 125 -6.788 7.183 7.250 1.00 3.10 H new ATOM 0 HE2 LYS A 125 -8.172 5.459 8.209 1.00 4.12 H new ATOM 0 HE3 LYS A 125 -7.434 4.774 6.775 1.00 4.12 H new ATOM 0 HZ1 LYS A 125 -7.280 3.194 8.513 1.00 5.21 H new ATOM 0 HZ2 LYS A 125 -5.712 3.794 8.257 1.00 5.21 H new ATOM 0 HZ3 LYS A 125 -6.616 4.324 9.593 1.00 5.21 H new ATOM 499 N PRO A 126 -4.031 2.414 5.264 1.00 0.53 N ATOM 500 CA PRO A 126 -4.420 1.143 5.872 1.00 0.76 C ATOM 501 C PRO A 126 -4.665 1.340 7.380 1.00 1.13 C ATOM 502 O PRO A 126 -4.464 2.436 7.909 1.00 2.49 O ATOM 503 CB PRO A 126 -3.257 0.193 5.568 1.00 0.84 C ATOM 504 CG PRO A 126 -2.045 1.125 5.594 1.00 0.66 C ATOM 505 CD PRO A 126 -2.592 2.425 5.008 1.00 0.55 C ATOM 0 HA PRO A 126 -5.352 0.737 5.480 1.00 0.76 H new ATOM 0 HB2 PRO A 126 -3.175 -0.598 6.313 1.00 0.84 H new ATOM 0 HB3 PRO A 126 -3.374 -0.293 4.599 1.00 0.84 H new ATOM 0 HG2 PRO A 126 -1.668 1.267 6.607 1.00 0.66 H new ATOM 0 HG3 PRO A 126 -1.221 0.731 4.999 1.00 0.66 H new ATOM 0 HD2 PRO A 126 -2.120 3.291 5.473 1.00 0.55 H new ATOM 0 HD3 PRO A 126 -2.387 2.487 3.939 1.00 0.55 H new ATOM 513 N THR A 127 -5.097 0.280 8.067 1.00 0.53 N ATOM 514 CA THR A 127 -5.335 0.220 9.518 1.00 0.51 C ATOM 515 C THR A 127 -4.898 -1.158 9.997 1.00 0.46 C ATOM 516 O THR A 127 -4.876 -2.088 9.198 1.00 0.46 O ATOM 517 CB THR A 127 -6.824 0.390 9.850 1.00 0.65 C ATOM 518 OG1 THR A 127 -7.463 1.394 9.100 1.00 0.91 O ATOM 519 CG2 THR A 127 -7.150 0.649 11.318 1.00 0.77 C ATOM 0 H THR A 127 -5.302 -0.607 7.606 1.00 0.53 H new ATOM 0 HA THR A 127 -4.779 1.023 10.003 1.00 0.51 H new ATOM 0 HB THR A 127 -7.209 -0.593 9.579 1.00 0.65 H new ATOM 0 HG1 THR A 127 -8.390 1.130 8.923 1.00 0.91 H new ATOM 0 HG21 THR A 127 -8.228 0.753 11.438 1.00 0.77 H new ATOM 0 HG22 THR A 127 -6.796 -0.187 11.922 1.00 0.77 H new ATOM 0 HG23 THR A 127 -6.658 1.566 11.644 1.00 0.77 H new ATOM 527 N VAL A 128 -4.602 -1.324 11.277 1.00 0.50 N ATOM 528 CA VAL A 128 -4.086 -2.570 11.869 1.00 0.53 C ATOM 529 C VAL A 128 -4.979 -3.798 11.606 1.00 0.64 C ATOM 530 O VAL A 128 -4.480 -4.906 11.422 1.00 0.81 O ATOM 531 CB VAL A 128 -3.808 -2.388 13.378 1.00 0.62 C ATOM 532 CG1 VAL A 128 -5.052 -1.852 14.102 1.00 0.66 C ATOM 533 CG2 VAL A 128 -3.280 -3.684 14.018 1.00 0.71 C ATOM 0 H VAL A 128 -4.714 -0.577 11.963 1.00 0.50 H new ATOM 0 HA VAL A 128 -3.144 -2.780 11.362 1.00 0.53 H new ATOM 0 HB VAL A 128 -3.020 -1.643 13.487 1.00 0.62 H new ATOM 0 HG11 VAL A 128 -4.832 -1.732 15.163 1.00 0.66 H new ATOM 0 HG12 VAL A 128 -5.332 -0.888 13.678 1.00 0.66 H new ATOM 0 HG13 VAL A 128 -5.876 -2.555 13.979 1.00 0.66 H new ATOM 0 HG21 VAL A 128 -3.096 -3.517 15.079 1.00 0.71 H new ATOM 0 HG22 VAL A 128 -4.019 -4.476 13.898 1.00 0.71 H new ATOM 0 HG23 VAL A 128 -2.350 -3.978 13.531 1.00 0.71 H new ATOM 543 N ASN A 129 -6.298 -3.596 11.546 1.00 0.72 N ATOM 544 CA ASN A 129 -7.285 -4.631 11.212 1.00 1.01 C ATOM 545 C ASN A 129 -7.609 -4.720 9.710 1.00 0.87 C ATOM 546 O ASN A 129 -8.444 -5.529 9.315 1.00 1.04 O ATOM 547 CB ASN A 129 -8.531 -4.430 12.089 1.00 1.42 C ATOM 548 CG ASN A 129 -8.324 -5.045 13.469 1.00 1.94 C ATOM 549 OD1 ASN A 129 -8.518 -6.234 13.668 1.00 2.27 O ATOM 550 ND2 ASN A 129 -7.897 -4.275 14.453 1.00 2.26 N ATOM 0 H ASN A 129 -6.721 -2.687 11.733 1.00 0.72 H new ATOM 0 HA ASN A 129 -6.848 -5.604 11.435 1.00 1.01 H new ATOM 0 HB2 ASN A 129 -8.744 -3.366 12.188 1.00 1.42 H new ATOM 0 HB3 ASN A 129 -9.397 -4.885 11.609 1.00 1.42 H new ATOM 0 HD21 ASN A 129 -7.730 -4.674 15.377 1.00 2.26 H new ATOM 0 HD22 ASN A 129 -7.734 -3.281 14.289 1.00 2.26 H new ATOM 557 N GLU A 130 -6.975 -3.894 8.875 1.00 0.65 N ATOM 558 CA GLU A 130 -7.473 -3.541 7.546 1.00 0.55 C ATOM 559 C GLU A 130 -6.364 -3.464 6.494 1.00 0.41 C ATOM 560 O GLU A 130 -5.235 -3.886 6.719 1.00 0.59 O ATOM 561 CB GLU A 130 -8.215 -2.196 7.604 1.00 0.72 C ATOM 562 CG GLU A 130 -9.220 -2.119 8.747 1.00 0.89 C ATOM 563 CD GLU A 130 -10.059 -0.850 8.580 1.00 1.32 C ATOM 564 OE1 GLU A 130 -10.923 -0.836 7.687 1.00 1.86 O ATOM 565 OE2 GLU A 130 -9.725 0.150 9.259 1.00 2.15 O ATOM 0 H GLU A 130 -6.089 -3.446 9.107 1.00 0.65 H new ATOM 0 HA GLU A 130 -8.152 -4.338 7.244 1.00 0.55 H new ATOM 0 HB2 GLU A 130 -7.488 -1.391 7.712 1.00 0.72 H new ATOM 0 HB3 GLU A 130 -8.734 -2.033 6.660 1.00 0.72 H new ATOM 0 HG2 GLU A 130 -9.863 -2.999 8.745 1.00 0.89 H new ATOM 0 HG3 GLU A 130 -8.701 -2.105 9.706 1.00 0.89 H new ATOM 572 N VAL A 131 -6.721 -2.940 5.321 1.00 0.36 N ATOM 573 CA VAL A 131 -5.920 -2.862 4.100 1.00 0.37 C ATOM 574 C VAL A 131 -6.249 -1.565 3.339 1.00 0.42 C ATOM 575 O VAL A 131 -7.287 -0.955 3.593 1.00 0.52 O ATOM 576 CB VAL A 131 -6.151 -4.093 3.198 1.00 0.38 C ATOM 577 CG1 VAL A 131 -5.575 -5.355 3.848 1.00 0.44 C ATOM 578 CG2 VAL A 131 -7.631 -4.344 2.883 1.00 0.39 C ATOM 0 H VAL A 131 -7.645 -2.529 5.190 1.00 0.36 H new ATOM 0 HA VAL A 131 -4.867 -2.852 4.382 1.00 0.37 H new ATOM 0 HB VAL A 131 -5.639 -3.872 2.262 1.00 0.38 H new ATOM 0 HG11 VAL A 131 -5.748 -6.211 3.196 1.00 0.44 H new ATOM 0 HG12 VAL A 131 -4.504 -5.228 4.003 1.00 0.44 H new ATOM 0 HG13 VAL A 131 -6.063 -5.525 4.808 1.00 0.44 H new ATOM 0 HG21 VAL A 131 -7.723 -5.223 2.245 1.00 0.39 H new ATOM 0 HG22 VAL A 131 -8.178 -4.510 3.811 1.00 0.39 H new ATOM 0 HG23 VAL A 131 -8.045 -3.477 2.368 1.00 0.39 H new ATOM 588 N ALA A 132 -5.401 -1.152 2.390 1.00 0.39 N ATOM 589 CA ALA A 132 -5.632 0.003 1.506 1.00 0.44 C ATOM 590 C ALA A 132 -4.990 -0.192 0.119 1.00 0.47 C ATOM 591 O ALA A 132 -3.835 -0.594 0.041 1.00 0.52 O ATOM 592 CB ALA A 132 -5.090 1.262 2.194 1.00 0.51 C ATOM 0 H ALA A 132 -4.513 -1.621 2.209 1.00 0.39 H new ATOM 0 HA ALA A 132 -6.703 0.107 1.334 1.00 0.44 H new ATOM 0 HB1 ALA A 132 -5.254 2.127 1.551 1.00 0.51 H new ATOM 0 HB2 ALA A 132 -5.608 1.411 3.141 1.00 0.51 H new ATOM 0 HB3 ALA A 132 -4.022 1.144 2.379 1.00 0.51 H new ATOM 598 N ARG A 133 -5.715 0.100 -0.969 1.00 0.50 N ATOM 599 CA ARG A 133 -5.247 -0.097 -2.350 1.00 0.46 C ATOM 600 C ARG A 133 -5.021 1.210 -3.117 1.00 0.58 C ATOM 601 O ARG A 133 -5.840 2.125 -3.024 1.00 0.67 O ATOM 602 CB ARG A 133 -6.254 -1.016 -3.056 1.00 0.49 C ATOM 603 CG ARG A 133 -5.701 -1.596 -4.363 1.00 0.54 C ATOM 604 CD ARG A 133 -6.154 -0.820 -5.600 1.00 1.34 C ATOM 605 NE ARG A 133 -7.325 -1.424 -6.259 1.00 1.54 N ATOM 606 CZ ARG A 133 -7.296 -2.273 -7.281 1.00 2.31 C ATOM 607 NH1 ARG A 133 -6.170 -2.833 -7.688 1.00 3.20 N ATOM 608 NH2 ARG A 133 -8.430 -2.569 -7.893 1.00 3.27 N ATOM 0 H ARG A 133 -6.658 0.486 -0.915 1.00 0.50 H new ATOM 0 HA ARG A 133 -4.261 -0.560 -2.324 1.00 0.46 H new ATOM 0 HB2 ARG A 133 -6.528 -1.832 -2.387 1.00 0.49 H new ATOM 0 HB3 ARG A 133 -7.166 -0.457 -3.267 1.00 0.49 H new ATOM 0 HG2 ARG A 133 -4.612 -1.598 -4.321 1.00 0.54 H new ATOM 0 HG3 ARG A 133 -6.018 -2.635 -4.456 1.00 0.54 H new ATOM 0 HD2 ARG A 133 -6.393 0.204 -5.313 1.00 1.34 H new ATOM 0 HD3 ARG A 133 -5.330 -0.767 -6.312 1.00 1.34 H new ATOM 0 HE ARG A 133 -8.243 -1.167 -5.897 1.00 1.54 H new ATOM 0 HH11 ARG A 133 -5.293 -2.617 -7.214 1.00 3.20 H new ATOM 0 HH12 ARG A 133 -6.178 -3.481 -8.476 1.00 3.20 H new ATOM 0 HH21 ARG A 133 -9.304 -2.148 -7.578 1.00 3.27 H new ATOM 0 HH22 ARG A 133 -8.431 -3.218 -8.680 1.00 3.27 H new ATOM 622 N CYS A 134 -3.936 1.249 -3.897 1.00 0.66 N ATOM 623 CA CYS A 134 -3.504 2.394 -4.684 1.00 0.67 C ATOM 624 C CYS A 134 -4.392 2.715 -5.903 1.00 0.79 C ATOM 625 O CYS A 134 -5.086 1.861 -6.460 1.00 1.16 O ATOM 626 CB CYS A 134 -2.035 2.147 -5.043 1.00 0.72 C ATOM 627 SG CYS A 134 -1.068 3.459 -5.880 1.00 0.87 S ATOM 0 H CYS A 134 -3.313 0.447 -3.997 1.00 0.66 H new ATOM 0 HA CYS A 134 -3.609 3.302 -4.090 1.00 0.67 H new ATOM 0 HB2 CYS A 134 -1.512 1.897 -4.120 1.00 0.72 H new ATOM 0 HB3 CYS A 134 -2.000 1.262 -5.678 1.00 0.72 H new ATOM 632 N TRP A 135 -4.313 3.975 -6.325 1.00 0.85 N ATOM 633 CA TRP A 135 -4.960 4.489 -7.527 1.00 1.05 C ATOM 634 C TRP A 135 -3.991 4.673 -8.709 1.00 1.17 C ATOM 635 O TRP A 135 -4.476 4.864 -9.822 1.00 1.43 O ATOM 636 CB TRP A 135 -5.678 5.802 -7.177 1.00 1.09 C ATOM 637 CG TRP A 135 -4.802 6.996 -6.942 1.00 1.09 C ATOM 638 CD1 TRP A 135 -4.338 7.423 -5.747 1.00 1.04 C ATOM 639 CD2 TRP A 135 -4.256 7.922 -7.931 1.00 1.30 C ATOM 640 NE1 TRP A 135 -3.553 8.545 -5.928 1.00 1.19 N ATOM 641 CE2 TRP A 135 -3.450 8.891 -7.261 1.00 1.35 C ATOM 642 CE3 TRP A 135 -4.333 8.013 -9.336 1.00 1.54 C ATOM 643 CZ2 TRP A 135 -2.757 9.899 -7.954 1.00 1.58 C ATOM 644 CZ3 TRP A 135 -3.592 8.972 -10.045 1.00 1.75 C ATOM 645 CH2 TRP A 135 -2.819 9.927 -9.360 1.00 1.76 C ATOM 0 H TRP A 135 -3.781 4.687 -5.824 1.00 0.85 H new ATOM 0 HA TRP A 135 -5.683 3.747 -7.866 1.00 1.05 H new ATOM 0 HB2 TRP A 135 -6.370 6.039 -7.985 1.00 1.09 H new ATOM 0 HB3 TRP A 135 -6.278 5.636 -6.282 1.00 1.09 H new ATOM 0 HD1 TRP A 135 -4.549 6.958 -4.795 1.00 1.04 H new ATOM 0 HE1 TRP A 135 -3.103 9.056 -5.169 1.00 1.19 H new ATOM 0 HE3 TRP A 135 -4.974 7.332 -9.877 1.00 1.54 H new ATOM 0 HZ2 TRP A 135 -2.186 10.641 -7.416 1.00 1.58 H new ATOM 0 HZ3 TRP A 135 -3.616 8.976 -11.125 1.00 1.75 H new ATOM 0 HH2 TRP A 135 -2.275 10.680 -9.911 1.00 1.76 H new ATOM 656 N GLU A 136 -2.662 4.627 -8.503 1.00 1.03 N ATOM 657 CA GLU A 136 -1.703 4.821 -9.617 1.00 1.09 C ATOM 658 C GLU A 136 -1.192 3.468 -10.134 1.00 1.16 C ATOM 659 O GLU A 136 -1.364 3.174 -11.310 1.00 1.59 O ATOM 660 CB GLU A 136 -0.494 5.687 -9.219 1.00 1.07 C ATOM 661 CG GLU A 136 -0.696 7.204 -9.391 1.00 1.11 C ATOM 662 CD GLU A 136 0.153 7.889 -10.491 1.00 1.39 C ATOM 663 OE1 GLU A 136 1.395 7.721 -10.450 1.00 2.17 O ATOM 664 OE2 GLU A 136 -0.384 8.648 -11.335 1.00 2.54 O ATOM 0 H GLU A 136 -2.229 4.461 -7.595 1.00 1.03 H new ATOM 0 HA GLU A 136 -2.251 5.344 -10.401 1.00 1.09 H new ATOM 0 HB2 GLU A 136 -0.248 5.484 -8.177 1.00 1.07 H new ATOM 0 HB3 GLU A 136 0.366 5.380 -9.815 1.00 1.07 H new ATOM 0 HG2 GLU A 136 -1.749 7.387 -9.608 1.00 1.11 H new ATOM 0 HG3 GLU A 136 -0.478 7.688 -8.439 1.00 1.11 H new ATOM 671 N CYS A 137 -0.572 2.647 -9.272 1.00 1.01 N ATOM 672 CA CYS A 137 -0.210 1.266 -9.594 1.00 1.08 C ATOM 673 C CYS A 137 -1.449 0.348 -9.517 1.00 1.40 C ATOM 674 O CYS A 137 -1.863 -0.282 -10.492 1.00 2.29 O ATOM 675 CB CYS A 137 0.930 0.800 -8.651 1.00 1.02 C ATOM 676 SG CYS A 137 0.748 1.164 -6.880 1.00 1.18 S ATOM 0 H CYS A 137 -0.308 2.928 -8.328 1.00 1.01 H new ATOM 0 HA CYS A 137 0.158 1.209 -10.619 1.00 1.08 H new ATOM 0 HB2 CYS A 137 1.042 -0.278 -8.764 1.00 1.02 H new ATOM 0 HB3 CYS A 137 1.859 1.254 -8.995 1.00 1.02 H new ATOM 681 N GLY A 138 -1.966 0.210 -8.295 1.00 0.73 N ATOM 682 CA GLY A 138 -3.006 -0.755 -7.949 1.00 0.73 C ATOM 683 C GLY A 138 -2.625 -1.799 -6.900 1.00 0.78 C ATOM 684 O GLY A 138 -3.446 -2.682 -6.635 1.00 0.99 O ATOM 0 H GLY A 138 -1.666 0.779 -7.503 1.00 0.73 H new ATOM 0 HA2 GLY A 138 -3.877 -0.208 -7.589 1.00 0.73 H new ATOM 0 HA3 GLY A 138 -3.309 -1.275 -8.858 1.00 0.73 H new ATOM 688 N SER A 139 -1.441 -1.747 -6.279 1.00 0.69 N ATOM 689 CA SER A 139 -1.112 -2.637 -5.172 1.00 0.68 C ATOM 690 C SER A 139 -2.001 -2.383 -3.956 1.00 0.58 C ATOM 691 O SER A 139 -2.251 -1.239 -3.595 1.00 0.64 O ATOM 692 CB SER A 139 0.377 -2.562 -4.785 1.00 0.76 C ATOM 693 OG SER A 139 1.063 -1.424 -5.245 1.00 1.89 O ATOM 0 H SER A 139 -0.697 -1.095 -6.529 1.00 0.69 H new ATOM 0 HA SER A 139 -1.307 -3.650 -5.525 1.00 0.68 H new ATOM 0 HB2 SER A 139 0.455 -2.598 -3.698 1.00 0.76 H new ATOM 0 HB3 SER A 139 0.880 -3.449 -5.170 1.00 0.76 H new ATOM 0 HG SER A 139 1.569 -1.026 -4.506 1.00 1.89 H new ATOM 699 N VAL A 140 -2.460 -3.464 -3.319 1.00 0.54 N ATOM 700 CA VAL A 140 -3.058 -3.418 -1.980 1.00 0.47 C ATOM 701 C VAL A 140 -1.913 -3.439 -0.971 1.00 0.47 C ATOM 702 O VAL A 140 -0.898 -4.078 -1.220 1.00 0.57 O ATOM 703 CB VAL A 140 -4.010 -4.609 -1.719 1.00 0.44 C ATOM 704 CG1 VAL A 140 -4.738 -4.516 -0.365 1.00 0.47 C ATOM 705 CG2 VAL A 140 -5.098 -4.728 -2.797 1.00 0.53 C ATOM 0 H VAL A 140 -2.427 -4.402 -3.719 1.00 0.54 H new ATOM 0 HA VAL A 140 -3.660 -2.514 -1.888 1.00 0.47 H new ATOM 0 HB VAL A 140 -3.355 -5.480 -1.729 1.00 0.44 H new ATOM 0 HG11 VAL A 140 -5.390 -5.381 -0.242 1.00 0.47 H new ATOM 0 HG12 VAL A 140 -4.005 -4.497 0.442 1.00 0.47 H new ATOM 0 HG13 VAL A 140 -5.335 -3.604 -0.335 1.00 0.47 H new ATOM 0 HG21 VAL A 140 -5.742 -5.578 -2.572 1.00 0.53 H new ATOM 0 HG22 VAL A 140 -5.694 -3.816 -2.815 1.00 0.53 H new ATOM 0 HG23 VAL A 140 -4.631 -4.875 -3.771 1.00 0.53 H new ATOM 715 N TYR A 141 -2.097 -2.757 0.152 1.00 0.42 N ATOM 716 CA TYR A 141 -1.145 -2.536 1.246 1.00 0.42 C ATOM 717 C TYR A 141 -1.769 -2.808 2.614 1.00 0.37 C ATOM 718 O TYR A 141 -2.968 -2.605 2.802 1.00 0.37 O ATOM 719 CB TYR A 141 -0.688 -1.073 1.233 1.00 0.47 C ATOM 720 CG TYR A 141 0.204 -0.750 0.067 1.00 0.49 C ATOM 721 CD1 TYR A 141 -0.333 -0.378 -1.182 1.00 2.27 C ATOM 722 CD2 TYR A 141 1.592 -0.882 0.236 1.00 1.70 C ATOM 723 CE1 TYR A 141 0.516 -0.183 -2.279 1.00 2.30 C ATOM 724 CE2 TYR A 141 2.448 -0.666 -0.850 1.00 1.70 C ATOM 725 CZ TYR A 141 1.909 -0.382 -2.126 1.00 0.59 C ATOM 726 OH TYR A 141 2.728 -0.370 -3.208 1.00 0.69 O ATOM 0 H TYR A 141 -2.991 -2.303 0.342 1.00 0.42 H new ATOM 0 HA TYR A 141 -0.312 -3.222 1.091 1.00 0.42 H new ATOM 0 HB2 TYR A 141 -1.563 -0.424 1.205 1.00 0.47 H new ATOM 0 HB3 TYR A 141 -0.159 -0.855 2.161 1.00 0.47 H new ATOM 0 HD1 TYR A 141 -1.399 -0.243 -1.293 1.00 2.27 H new ATOM 0 HD2 TYR A 141 1.997 -1.149 1.201 1.00 1.70 H new ATOM 0 HE1 TYR A 141 0.111 0.117 -3.234 1.00 2.30 H new ATOM 0 HE2 TYR A 141 3.518 -0.716 -0.714 1.00 1.70 H new ATOM 0 HH TYR A 141 3.010 0.550 -3.395 1.00 0.69 H new ATOM 736 N LYS A 142 -0.954 -3.223 3.587 1.00 0.43 N ATOM 737 CA LYS A 142 -1.412 -3.572 4.930 1.00 0.32 C ATOM 738 C LYS A 142 -0.570 -2.967 6.054 1.00 0.33 C ATOM 739 O LYS A 142 0.650 -2.819 5.957 1.00 0.38 O ATOM 740 CB LYS A 142 -1.431 -5.098 5.069 1.00 0.46 C ATOM 741 CG LYS A 142 -2.476 -5.471 6.109 1.00 0.45 C ATOM 742 CD LYS A 142 -2.661 -6.960 6.335 1.00 1.00 C ATOM 743 CE LYS A 142 -3.912 -7.037 7.213 1.00 1.20 C ATOM 744 NZ LYS A 142 -4.447 -8.414 7.265 1.00 2.46 N ATOM 0 H LYS A 142 0.053 -3.327 3.461 1.00 0.43 H new ATOM 0 HA LYS A 142 -2.410 -3.148 5.039 1.00 0.32 H new ATOM 0 HB2 LYS A 142 -1.665 -5.563 4.112 1.00 0.46 H new ATOM 0 HB3 LYS A 142 -0.449 -5.464 5.369 1.00 0.46 H new ATOM 0 HG2 LYS A 142 -2.203 -5.007 7.057 1.00 0.45 H new ATOM 0 HG3 LYS A 142 -3.433 -5.044 5.809 1.00 0.45 H new ATOM 0 HD2 LYS A 142 -2.797 -7.494 5.395 1.00 1.00 H new ATOM 0 HD3 LYS A 142 -1.796 -7.401 6.830 1.00 1.00 H new ATOM 0 HE2 LYS A 142 -3.673 -6.699 8.221 1.00 1.20 H new ATOM 0 HE3 LYS A 142 -4.675 -6.363 6.823 1.00 1.20 H new ATOM 0 HZ1 LYS A 142 -5.484 -8.386 7.192 1.00 2.46 H new ATOM 0 HZ2 LYS A 142 -4.059 -8.967 6.474 1.00 2.46 H new ATOM 0 HZ3 LYS A 142 -4.175 -8.859 8.165 1.00 2.46 H new ATOM 758 N LEU A 143 -1.250 -2.656 7.154 1.00 0.36 N ATOM 759 CA LEU A 143 -0.646 -2.243 8.408 1.00 0.36 C ATOM 760 C LEU A 143 -0.591 -3.418 9.383 1.00 0.35 C ATOM 761 O LEU A 143 -1.369 -4.365 9.299 1.00 0.49 O ATOM 762 CB LEU A 143 -1.469 -1.070 8.940 1.00 0.41 C ATOM 763 CG LEU A 143 -0.762 -0.232 10.017 1.00 0.53 C ATOM 764 CD1 LEU A 143 -1.152 1.218 9.777 1.00 0.42 C ATOM 765 CD2 LEU A 143 -1.193 -0.608 11.437 1.00 0.84 C ATOM 0 H LEU A 143 -2.269 -2.687 7.194 1.00 0.36 H new ATOM 0 HA LEU A 143 0.386 -1.921 8.270 1.00 0.36 H new ATOM 0 HB2 LEU A 143 -1.732 -0.419 8.106 1.00 0.41 H new ATOM 0 HB3 LEU A 143 -2.402 -1.454 9.351 1.00 0.41 H new ATOM 0 HG LEU A 143 0.311 -0.407 9.943 1.00 0.53 H new ATOM 0 HD11 LEU A 143 -0.671 1.852 10.522 1.00 0.42 H new ATOM 0 HD12 LEU A 143 -0.831 1.521 8.780 1.00 0.42 H new ATOM 0 HD13 LEU A 143 -2.234 1.322 9.857 1.00 0.42 H new ATOM 0 HD21 LEU A 143 -0.662 0.016 12.156 1.00 0.84 H new ATOM 0 HD22 LEU A 143 -2.266 -0.452 11.545 1.00 0.84 H new ATOM 0 HD23 LEU A 143 -0.958 -1.656 11.623 1.00 0.84 H new ATOM 777 N ASN A 144 0.370 -3.344 10.291 1.00 0.36 N ATOM 778 CA ASN A 144 0.684 -4.398 11.270 1.00 0.40 C ATOM 779 C ASN A 144 0.280 -4.089 12.734 1.00 0.58 C ATOM 780 O ASN A 144 0.227 -2.934 13.126 1.00 0.73 O ATOM 781 CB ASN A 144 2.186 -4.750 11.161 1.00 0.49 C ATOM 782 CG ASN A 144 3.114 -3.583 10.884 1.00 0.85 C ATOM 783 OD1 ASN A 144 2.905 -2.464 11.320 1.00 1.41 O ATOM 784 ND2 ASN A 144 4.166 -3.847 10.141 1.00 0.95 N ATOM 0 H ASN A 144 0.977 -2.529 10.378 1.00 0.36 H new ATOM 0 HA ASN A 144 0.064 -5.256 11.009 1.00 0.40 H new ATOM 0 HB2 ASN A 144 2.498 -5.226 12.091 1.00 0.49 H new ATOM 0 HB3 ASN A 144 2.311 -5.487 10.368 1.00 0.49 H new ATOM 0 HD21 ASN A 144 4.831 -3.107 9.917 1.00 0.95 H new ATOM 0 HD22 ASN A 144 4.317 -4.792 9.789 1.00 0.95 H new ATOM 791 N PRO A 145 0.087 -5.126 13.587 1.00 0.79 N ATOM 792 CA PRO A 145 -0.254 -5.053 15.026 1.00 1.12 C ATOM 793 C PRO A 145 0.835 -4.493 15.944 1.00 1.12 C ATOM 794 O PRO A 145 0.663 -4.416 17.158 1.00 1.64 O ATOM 795 CB PRO A 145 -0.468 -6.503 15.455 1.00 1.42 C ATOM 796 CG PRO A 145 0.570 -7.186 14.584 1.00 1.27 C ATOM 797 CD PRO A 145 0.276 -6.525 13.251 1.00 0.97 C ATOM 0 HA PRO A 145 -1.106 -4.380 15.123 1.00 1.12 H new ATOM 0 HB2 PRO A 145 -0.286 -6.655 16.519 1.00 1.42 H new ATOM 0 HB3 PRO A 145 -1.480 -6.854 15.252 1.00 1.42 H new ATOM 0 HG2 PRO A 145 1.588 -6.999 14.926 1.00 1.27 H new ATOM 0 HG3 PRO A 145 0.439 -8.268 14.550 1.00 1.27 H new ATOM 0 HD2 PRO A 145 1.099 -6.659 12.549 1.00 0.97 H new ATOM 0 HD3 PRO A 145 -0.614 -6.947 12.784 1.00 0.97 H new ATOM 805 N VAL A 146 1.989 -4.226 15.356 1.00 0.76 N ATOM 806 CA VAL A 146 3.150 -3.613 15.980 1.00 0.80 C ATOM 807 C VAL A 146 2.736 -2.349 16.758 1.00 1.28 C ATOM 808 O VAL A 146 1.823 -1.635 16.352 1.00 1.95 O ATOM 809 CB VAL A 146 4.238 -3.349 14.926 1.00 0.81 C ATOM 810 CG1 VAL A 146 3.968 -2.084 14.133 1.00 0.98 C ATOM 811 CG2 VAL A 146 5.623 -3.309 15.551 1.00 1.74 C ATOM 0 H VAL A 146 2.150 -4.444 14.373 1.00 0.76 H new ATOM 0 HA VAL A 146 3.581 -4.297 16.711 1.00 0.80 H new ATOM 0 HB VAL A 146 4.207 -4.186 14.228 1.00 0.81 H new ATOM 0 HG11 VAL A 146 4.762 -1.937 13.401 1.00 0.98 H new ATOM 0 HG12 VAL A 146 3.011 -2.174 13.618 1.00 0.98 H new ATOM 0 HG13 VAL A 146 3.937 -1.230 14.810 1.00 0.98 H new ATOM 0 HG21 VAL A 146 6.366 -3.120 14.776 1.00 1.74 H new ATOM 0 HG22 VAL A 146 5.664 -2.513 16.295 1.00 1.74 H new ATOM 0 HG23 VAL A 146 5.833 -4.265 16.031 1.00 1.74 H new ATOM 821 N GLY A 147 3.362 -2.071 17.900 1.00 1.41 N ATOM 822 CA GLY A 147 2.808 -1.126 18.842 1.00 1.90 C ATOM 823 C GLY A 147 3.566 -1.113 20.146 1.00 2.49 C ATOM 824 O GLY A 147 4.214 -2.079 20.543 1.00 2.95 O ATOM 0 H GLY A 147 4.248 -2.489 18.186 1.00 1.41 H new ATOM 0 HA2 GLY A 147 2.823 -0.128 18.405 1.00 1.90 H new ATOM 0 HA3 GLY A 147 1.764 -1.375 19.033 1.00 1.90 H new TER 828 GLY A 147 HETATM 829 ZN ZN A 156 1.352 3.188 -5.948 1.00 0.61 ZN