USER MOD reduce.3.24.130724 H: found=0, std=0, add=408, rem=0, adj=18 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 Set 1.1: A 111 CYS SG : rot -43:sc= 2.12 USER MOD Set 1.2: A 119 HIS : no HD1:sc= -3.29 K(o=4.4,f=0.92) USER MOD Set 1.3: A 122 MET CE :methyl 141:sc= -2.18 (180deg=-4.02!) USER MOD Set 1.4: A 134 CYS SG : rot 178:sc= 2.13 USER MOD Set 1.5: A 137 CYS SG : rot -9:sc= 1.2! USER MOD Set 1.6: A 139 SER OG : rot 130:sc= 2.44 USER MOD Set 1.7: A 141 TYR OH : rot 76:sc= 1.93 USER MOD Set 2.1: A 114 SER OG : rot -132:sc= 1.19 USER MOD Set 2.2: A 118 SER OG : rot 180:sc= 1 USER MOD Single : A 94 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 162:sc= 1.15 (180deg=0.75) USER MOD Single : A 102 SER OG : rot 8:sc= 0.433 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 64:sc= 1.05 USER MOD Single : A 120 THR OG1 : rot 180:sc= 0.137 USER MOD Single : A 125 LYS NZ :NH3+ -168:sc= 1.04 (180deg=0.927) USER MOD Single : A 127 THR OG1 : rot 82:sc= 0.34 USER MOD Single : A 129 ASN : amide:sc= -0.0578 X(o=-0.058,f=0) USER MOD Single : A 142 LYS NZ :NH3+ -155:sc= 0.953 (180deg=0.643) USER MOD Single : A 144 ASN : amide:sc= -3.16 K(o=-3.2,f=-7.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 94 -6.079 -8.661 -0.383 1.00 0.65 N ATOM 2 CA MET A 94 -6.622 -7.857 0.702 1.00 0.60 C ATOM 3 C MET A 94 -5.975 -8.356 1.990 1.00 1.03 C ATOM 4 O MET A 94 -5.054 -7.726 2.468 1.00 2.68 O ATOM 5 CB MET A 94 -8.148 -7.945 0.794 1.00 0.58 C ATOM 6 CG MET A 94 -8.860 -7.693 -0.514 1.00 0.89 C ATOM 7 SD MET A 94 -10.663 -7.609 -0.415 1.00 1.58 S ATOM 8 CE MET A 94 -11.078 -8.292 -2.040 1.00 3.10 C ATOM 0 HA MET A 94 -6.398 -6.805 0.523 1.00 0.60 H new ATOM 0 HB2 MET A 94 -8.423 -8.934 1.160 1.00 0.58 H new ATOM 0 HB3 MET A 94 -8.499 -7.223 1.531 1.00 0.58 H new ATOM 0 HG2 MET A 94 -8.493 -6.756 -0.933 1.00 0.89 H new ATOM 0 HG3 MET A 94 -8.588 -8.483 -1.214 1.00 0.89 H new ATOM 0 HE1 MET A 94 -12.161 -8.317 -2.158 1.00 3.10 H new ATOM 0 HE2 MET A 94 -10.642 -7.667 -2.819 1.00 3.10 H new ATOM 0 HE3 MET A 94 -10.680 -9.304 -2.122 1.00 3.10 H new ATOM 18 N LYS A 95 -6.343 -9.565 2.439 1.00 1.13 N ATOM 19 CA LYS A 95 -5.768 -10.348 3.550 1.00 1.15 C ATOM 20 C LYS A 95 -4.529 -9.779 4.264 1.00 1.02 C ATOM 21 O LYS A 95 -4.592 -9.485 5.458 1.00 1.36 O ATOM 22 CB LYS A 95 -5.486 -11.789 3.058 1.00 1.30 C ATOM 23 CG LYS A 95 -4.676 -11.954 1.744 1.00 1.30 C ATOM 24 CD LYS A 95 -3.361 -12.699 2.026 1.00 1.34 C ATOM 25 CE LYS A 95 -2.337 -12.823 0.892 1.00 1.42 C ATOM 26 NZ LYS A 95 -1.020 -13.272 1.437 1.00 2.06 N ATOM 0 H LYS A 95 -7.116 -10.065 1.999 1.00 1.13 H new ATOM 0 HA LYS A 95 -6.532 -10.309 4.326 1.00 1.15 H new ATOM 0 HB2 LYS A 95 -4.953 -12.316 3.850 1.00 1.30 H new ATOM 0 HB3 LYS A 95 -6.444 -12.293 2.928 1.00 1.30 H new ATOM 0 HG2 LYS A 95 -5.265 -12.505 1.011 1.00 1.30 H new ATOM 0 HG3 LYS A 95 -4.464 -10.976 1.313 1.00 1.30 H new ATOM 0 HD2 LYS A 95 -2.871 -12.202 2.863 1.00 1.34 H new ATOM 0 HD3 LYS A 95 -3.614 -13.706 2.357 1.00 1.34 H new ATOM 0 HE2 LYS A 95 -2.693 -13.534 0.147 1.00 1.42 H new ATOM 0 HE3 LYS A 95 -2.223 -11.863 0.388 1.00 1.42 H new ATOM 0 HZ1 LYS A 95 -0.432 -13.643 0.663 1.00 2.06 H new ATOM 0 HZ2 LYS A 95 -0.536 -12.467 1.884 1.00 2.06 H new ATOM 0 HZ3 LYS A 95 -1.173 -14.019 2.144 1.00 2.06 H new ATOM 40 N ASP A 96 -3.432 -9.719 3.507 1.00 0.94 N ATOM 41 CA ASP A 96 -2.027 -9.560 3.875 1.00 0.86 C ATOM 42 C ASP A 96 -1.131 -9.637 2.596 1.00 0.94 C ATOM 43 O ASP A 96 -0.642 -10.702 2.219 1.00 1.18 O ATOM 44 CB ASP A 96 -1.708 -10.614 4.938 1.00 0.96 C ATOM 45 CG ASP A 96 -0.213 -10.813 5.109 1.00 1.38 C ATOM 46 OD1 ASP A 96 0.476 -9.785 5.275 1.00 1.93 O ATOM 47 OD2 ASP A 96 0.203 -11.985 4.957 1.00 2.57 O ATOM 0 H ASP A 96 -3.522 -9.790 2.493 1.00 0.94 H new ATOM 0 HA ASP A 96 -1.819 -8.582 4.309 1.00 0.86 H new ATOM 0 HB2 ASP A 96 -2.145 -10.313 5.890 1.00 0.96 H new ATOM 0 HB3 ASP A 96 -2.171 -11.561 4.660 1.00 0.96 H new ATOM 52 N PRO A 97 -1.076 -8.548 1.810 1.00 0.80 N ATOM 53 CA PRO A 97 -0.414 -8.438 0.503 1.00 0.88 C ATOM 54 C PRO A 97 1.016 -7.902 0.584 1.00 0.86 C ATOM 55 O PRO A 97 1.938 -8.438 -0.019 1.00 1.10 O ATOM 56 CB PRO A 97 -1.280 -7.417 -0.255 1.00 0.87 C ATOM 57 CG PRO A 97 -1.906 -6.552 0.837 1.00 0.76 C ATOM 58 CD PRO A 97 -2.159 -7.605 1.870 1.00 0.82 C ATOM 0 HA PRO A 97 -0.332 -9.418 0.033 1.00 0.88 H new ATOM 0 HB2 PRO A 97 -0.678 -6.818 -0.939 1.00 0.87 H new ATOM 0 HB3 PRO A 97 -2.044 -7.913 -0.854 1.00 0.87 H new ATOM 0 HG2 PRO A 97 -1.233 -5.771 1.191 1.00 0.76 H new ATOM 0 HG3 PRO A 97 -2.821 -6.059 0.508 1.00 0.76 H new ATOM 0 HD2 PRO A 97 -2.223 -7.159 2.863 1.00 0.82 H new ATOM 0 HD3 PRO A 97 -3.110 -8.103 1.683 1.00 0.82 H new ATOM 66 N ILE A 98 1.132 -6.774 1.275 1.00 0.75 N ATOM 67 CA ILE A 98 2.262 -5.891 1.475 1.00 0.73 C ATOM 68 C ILE A 98 2.076 -5.349 2.878 1.00 0.66 C ATOM 69 O ILE A 98 0.958 -5.035 3.282 1.00 0.60 O ATOM 70 CB ILE A 98 2.262 -4.683 0.516 1.00 0.73 C ATOM 71 CG1 ILE A 98 1.774 -4.943 -0.938 1.00 0.82 C ATOM 72 CG2 ILE A 98 3.657 -4.032 0.629 1.00 0.75 C ATOM 73 CD1 ILE A 98 2.853 -5.082 -2.000 1.00 0.89 C ATOM 0 H ILE A 98 0.319 -6.414 1.774 1.00 0.75 H new ATOM 0 HA ILE A 98 3.190 -6.437 1.305 1.00 0.73 H new ATOM 0 HB ILE A 98 1.485 -3.987 0.832 1.00 0.73 H new ATOM 0 HG12 ILE A 98 1.175 -5.853 -0.939 1.00 0.82 H new ATOM 0 HG13 ILE A 98 1.113 -4.126 -1.228 1.00 0.82 H new ATOM 0 HG21 ILE A 98 3.710 -3.168 -0.033 1.00 0.75 H new ATOM 0 HG22 ILE A 98 3.827 -3.712 1.657 1.00 0.75 H new ATOM 0 HG23 ILE A 98 4.420 -4.756 0.343 1.00 0.75 H new ATOM 0 HD11 ILE A 98 2.388 -5.260 -2.970 1.00 0.89 H new ATOM 0 HD12 ILE A 98 3.442 -4.166 -2.043 1.00 0.89 H new ATOM 0 HD13 ILE A 98 3.504 -5.920 -1.750 1.00 0.89 H new ATOM 85 N ILE A 99 3.173 -5.194 3.585 1.00 0.68 N ATOM 86 CA ILE A 99 3.195 -4.770 4.972 1.00 0.63 C ATOM 87 C ILE A 99 3.860 -3.418 5.094 1.00 0.58 C ATOM 88 O ILE A 99 4.927 -3.189 4.533 1.00 0.69 O ATOM 89 CB ILE A 99 3.920 -5.846 5.794 1.00 0.76 C ATOM 90 CG1 ILE A 99 3.042 -7.111 5.867 1.00 0.88 C ATOM 91 CG2 ILE A 99 4.318 -5.351 7.191 1.00 0.69 C ATOM 92 CD1 ILE A 99 1.868 -7.007 6.852 1.00 0.83 C ATOM 0 H ILE A 99 4.103 -5.364 3.202 1.00 0.68 H new ATOM 0 HA ILE A 99 2.181 -4.659 5.357 1.00 0.63 H new ATOM 0 HB ILE A 99 4.855 -6.088 5.289 1.00 0.76 H new ATOM 0 HG12 ILE A 99 2.650 -7.325 4.873 1.00 0.88 H new ATOM 0 HG13 ILE A 99 3.667 -7.957 6.152 1.00 0.88 H new ATOM 0 HG21 ILE A 99 4.827 -6.151 7.729 1.00 0.69 H new ATOM 0 HG22 ILE A 99 4.986 -4.495 7.097 1.00 0.69 H new ATOM 0 HG23 ILE A 99 3.424 -5.055 7.741 1.00 0.69 H new ATOM 0 HD11 ILE A 99 1.301 -7.938 6.842 1.00 0.83 H new ATOM 0 HD12 ILE A 99 2.251 -6.825 7.856 1.00 0.83 H new ATOM 0 HD13 ILE A 99 1.218 -6.183 6.557 1.00 0.83 H new ATOM 104 N ILE A 100 3.231 -2.544 5.868 1.00 0.49 N ATOM 105 CA ILE A 100 3.728 -1.221 6.222 1.00 0.51 C ATOM 106 C ILE A 100 3.853 -1.162 7.733 1.00 0.53 C ATOM 107 O ILE A 100 2.848 -1.230 8.437 1.00 0.50 O ATOM 108 CB ILE A 100 2.755 -0.159 5.679 1.00 0.46 C ATOM 109 CG1 ILE A 100 2.639 -0.292 4.139 1.00 0.47 C ATOM 110 CG2 ILE A 100 3.195 1.257 6.097 1.00 0.62 C ATOM 111 CD1 ILE A 100 3.961 -0.104 3.376 1.00 0.61 C ATOM 0 H ILE A 100 2.322 -2.746 6.284 1.00 0.49 H new ATOM 0 HA ILE A 100 4.706 -1.024 5.783 1.00 0.51 H new ATOM 0 HB ILE A 100 1.769 -0.327 6.111 1.00 0.46 H new ATOM 0 HG12 ILE A 100 2.236 -1.277 3.902 1.00 0.47 H new ATOM 0 HG13 ILE A 100 1.919 0.443 3.778 1.00 0.47 H new ATOM 0 HG21 ILE A 100 2.491 1.989 5.701 1.00 0.62 H new ATOM 0 HG22 ILE A 100 3.216 1.325 7.185 1.00 0.62 H new ATOM 0 HG23 ILE A 100 4.190 1.460 5.702 1.00 0.62 H new ATOM 0 HD11 ILE A 100 3.783 -0.214 2.306 1.00 0.61 H new ATOM 0 HD12 ILE A 100 4.359 0.891 3.577 1.00 0.61 H new ATOM 0 HD13 ILE A 100 4.680 -0.855 3.703 1.00 0.61 H new ATOM 123 N GLU A 101 5.090 -1.037 8.205 1.00 0.71 N ATOM 124 CA GLU A 101 5.442 -0.957 9.627 1.00 0.79 C ATOM 125 C GLU A 101 5.012 0.389 10.209 1.00 0.84 C ATOM 126 O GLU A 101 5.382 1.440 9.692 1.00 1.05 O ATOM 127 CB GLU A 101 6.946 -1.224 9.826 1.00 0.95 C ATOM 128 CG GLU A 101 7.172 -2.481 10.668 1.00 1.00 C ATOM 129 CD GLU A 101 8.617 -2.967 10.614 1.00 1.58 C ATOM 130 OE1 GLU A 101 9.520 -2.101 10.586 1.00 2.31 O ATOM 131 OE2 GLU A 101 8.781 -4.207 10.602 1.00 2.56 O ATOM 0 H GLU A 101 5.904 -0.987 7.592 1.00 0.71 H new ATOM 0 HA GLU A 101 4.902 -1.732 10.172 1.00 0.79 H new ATOM 0 HB2 GLU A 101 7.430 -1.339 8.856 1.00 0.95 H new ATOM 0 HB3 GLU A 101 7.410 -0.367 10.314 1.00 0.95 H new ATOM 0 HG2 GLU A 101 6.900 -2.275 11.703 1.00 1.00 H new ATOM 0 HG3 GLU A 101 6.512 -3.274 10.316 1.00 1.00 H new ATOM 138 N SER A 102 4.174 0.398 11.249 1.00 0.81 N ATOM 139 CA SER A 102 3.581 1.638 11.776 1.00 0.91 C ATOM 140 C SER A 102 3.101 1.513 13.221 1.00 1.15 C ATOM 141 O SER A 102 2.048 0.944 13.487 1.00 2.54 O ATOM 142 CB SER A 102 2.416 2.059 10.885 1.00 1.33 C ATOM 143 OG SER A 102 2.899 2.500 9.625 1.00 3.28 O ATOM 0 H SER A 102 3.887 -0.444 11.748 1.00 0.81 H new ATOM 0 HA SER A 102 4.367 2.393 11.771 1.00 0.91 H new ATOM 0 HB2 SER A 102 1.732 1.222 10.748 1.00 1.33 H new ATOM 0 HB3 SER A 102 1.850 2.857 11.366 1.00 1.33 H new ATOM 0 HG SER A 102 3.859 2.312 9.558 1.00 3.28 H new ATOM 149 N TYR A 103 3.868 2.104 14.139 1.00 0.99 N ATOM 150 CA TYR A 103 3.692 2.071 15.597 1.00 0.92 C ATOM 151 C TYR A 103 2.531 2.977 16.090 1.00 0.98 C ATOM 152 O TYR A 103 2.676 3.672 17.095 1.00 1.35 O ATOM 153 CB TYR A 103 5.059 2.397 16.248 1.00 1.01 C ATOM 154 CG TYR A 103 6.100 1.277 16.284 1.00 1.09 C ATOM 155 CD1 TYR A 103 6.440 0.534 15.135 1.00 2.03 C ATOM 156 CD2 TYR A 103 6.760 0.989 17.496 1.00 2.00 C ATOM 157 CE1 TYR A 103 7.413 -0.482 15.199 1.00 2.20 C ATOM 158 CE2 TYR A 103 7.738 -0.020 17.573 1.00 2.40 C ATOM 159 CZ TYR A 103 8.071 -0.761 16.417 1.00 1.92 C ATOM 160 OH TYR A 103 9.007 -1.749 16.469 1.00 2.48 O ATOM 0 H TYR A 103 4.683 2.655 13.869 1.00 0.99 H new ATOM 0 HA TYR A 103 3.381 1.074 15.908 1.00 0.92 H new ATOM 0 HB2 TYR A 103 5.493 3.244 15.717 1.00 1.01 H new ATOM 0 HB3 TYR A 103 4.877 2.722 17.272 1.00 1.01 H new ATOM 0 HD1 TYR A 103 5.949 0.746 14.197 1.00 2.03 H new ATOM 0 HD2 TYR A 103 6.510 1.553 18.382 1.00 2.00 H new ATOM 0 HE1 TYR A 103 7.657 -1.050 14.313 1.00 2.20 H new ATOM 0 HE2 TYR A 103 8.232 -0.227 18.511 1.00 2.40 H new ATOM 0 HH TYR A 103 9.365 -1.813 17.379 1.00 2.48 H new ATOM 170 N ASP A 104 1.407 3.014 15.371 1.00 0.83 N ATOM 171 CA ASP A 104 0.325 3.996 15.564 1.00 0.98 C ATOM 172 C ASP A 104 -1.084 3.442 15.288 1.00 1.20 C ATOM 173 O ASP A 104 -2.046 4.200 15.350 1.00 2.87 O ATOM 174 CB ASP A 104 0.535 5.253 14.677 1.00 1.14 C ATOM 175 CG ASP A 104 1.944 5.516 14.129 1.00 2.08 C ATOM 176 OD1 ASP A 104 2.420 4.710 13.296 1.00 3.49 O ATOM 177 OD2 ASP A 104 2.527 6.596 14.376 1.00 2.60 O ATOM 0 H ASP A 104 1.215 2.350 14.621 1.00 0.83 H new ATOM 0 HA ASP A 104 0.380 4.256 16.621 1.00 0.98 H new ATOM 0 HB2 ASP A 104 -0.146 5.182 13.829 1.00 1.14 H new ATOM 0 HB3 ASP A 104 0.233 6.126 15.256 1.00 1.14 H new ATOM 182 N ASP A 105 -1.196 2.177 14.868 1.00 1.13 N ATOM 183 CA ASP A 105 -2.415 1.442 14.470 1.00 0.95 C ATOM 184 C ASP A 105 -3.144 2.007 13.231 1.00 0.79 C ATOM 185 O ASP A 105 -3.935 1.306 12.609 1.00 0.95 O ATOM 186 CB ASP A 105 -3.392 1.289 15.662 1.00 1.20 C ATOM 187 CG ASP A 105 -2.936 0.305 16.756 1.00 2.33 C ATOM 188 OD1 ASP A 105 -3.097 -0.916 16.514 1.00 3.18 O ATOM 189 OD2 ASP A 105 -2.503 0.772 17.837 1.00 3.27 O ATOM 0 H ASP A 105 -0.369 1.585 14.789 1.00 1.13 H new ATOM 0 HA ASP A 105 -2.057 0.458 14.165 1.00 0.95 H new ATOM 0 HB2 ASP A 105 -3.544 2.268 16.116 1.00 1.20 H new ATOM 0 HB3 ASP A 105 -4.359 0.961 15.280 1.00 1.20 H new ATOM 194 N TYR A 106 -2.874 3.240 12.805 1.00 0.72 N ATOM 195 CA TYR A 106 -3.636 3.958 11.774 1.00 0.79 C ATOM 196 C TYR A 106 -2.788 4.985 10.997 1.00 0.92 C ATOM 197 O TYR A 106 -3.314 5.983 10.473 1.00 1.71 O ATOM 198 CB TYR A 106 -4.915 4.555 12.402 1.00 0.95 C ATOM 199 CG TYR A 106 -4.713 5.292 13.715 1.00 0.80 C ATOM 200 CD1 TYR A 106 -4.025 6.522 13.750 1.00 2.09 C ATOM 201 CD2 TYR A 106 -5.179 4.718 14.913 1.00 1.92 C ATOM 202 CE1 TYR A 106 -3.786 7.163 14.981 1.00 2.49 C ATOM 203 CE2 TYR A 106 -4.948 5.355 16.146 1.00 1.80 C ATOM 204 CZ TYR A 106 -4.247 6.583 16.184 1.00 1.42 C ATOM 205 OH TYR A 106 -4.011 7.204 17.371 1.00 1.98 O ATOM 0 H TYR A 106 -2.097 3.787 13.176 1.00 0.72 H new ATOM 0 HA TYR A 106 -3.941 3.244 11.009 1.00 0.79 H new ATOM 0 HB2 TYR A 106 -5.365 5.242 11.685 1.00 0.95 H new ATOM 0 HB3 TYR A 106 -5.630 3.749 12.564 1.00 0.95 H new ATOM 0 HD1 TYR A 106 -3.681 6.973 12.831 1.00 2.09 H new ATOM 0 HD2 TYR A 106 -5.718 3.782 14.885 1.00 1.92 H new ATOM 0 HE1 TYR A 106 -3.249 8.100 15.005 1.00 2.49 H new ATOM 0 HE2 TYR A 106 -5.305 4.907 17.062 1.00 1.80 H new ATOM 0 HH TYR A 106 -4.395 6.673 18.100 1.00 1.98 H new ATOM 215 N ARG A 107 -1.472 4.755 10.894 1.00 0.77 N ATOM 216 CA ARG A 107 -0.571 5.555 10.041 1.00 0.74 C ATOM 217 C ARG A 107 -0.910 5.380 8.555 1.00 0.77 C ATOM 218 O ARG A 107 -1.585 4.440 8.136 1.00 1.21 O ATOM 219 CB ARG A 107 0.909 5.201 10.288 1.00 0.89 C ATOM 220 CG ARG A 107 1.918 6.284 9.827 1.00 1.64 C ATOM 221 CD ARG A 107 3.397 5.911 9.993 1.00 2.12 C ATOM 222 NE ARG A 107 3.813 6.000 11.394 1.00 2.28 N ATOM 223 CZ ARG A 107 4.998 6.251 11.919 1.00 3.06 C ATOM 224 NH1 ARG A 107 6.067 6.456 11.172 1.00 3.89 N ATOM 225 NH2 ARG A 107 5.073 6.310 13.229 1.00 3.80 N ATOM 0 H ARG A 107 -0.997 4.007 11.400 1.00 0.77 H new ATOM 0 HA ARG A 107 -0.723 6.600 10.313 1.00 0.74 H new ATOM 0 HB2 ARG A 107 1.053 5.020 11.353 1.00 0.89 H new ATOM 0 HB3 ARG A 107 1.137 4.268 9.772 1.00 0.89 H new ATOM 0 HG2 ARG A 107 1.732 6.508 8.777 1.00 1.64 H new ATOM 0 HG3 ARG A 107 1.725 7.199 10.387 1.00 1.64 H new ATOM 0 HD2 ARG A 107 3.562 4.898 9.626 1.00 2.12 H new ATOM 0 HD3 ARG A 107 4.012 6.575 9.386 1.00 2.12 H new ATOM 0 HE ARG A 107 3.068 5.843 12.073 1.00 2.28 H new ATOM 0 HH11 ARG A 107 5.993 6.423 10.155 1.00 3.89 H new ATOM 0 HH12 ARG A 107 6.967 6.647 11.612 1.00 3.89 H new ATOM 0 HH21 ARG A 107 4.237 6.164 13.795 1.00 3.80 H new ATOM 0 HH22 ARG A 107 5.967 6.501 13.681 1.00 3.80 H new ATOM 239 N TYR A 108 -0.444 6.338 7.757 1.00 0.59 N ATOM 240 CA TYR A 108 -0.418 6.253 6.301 1.00 0.54 C ATOM 241 C TYR A 108 0.802 5.475 5.763 1.00 0.56 C ATOM 242 O TYR A 108 1.749 5.197 6.495 1.00 0.73 O ATOM 243 CB TYR A 108 -0.575 7.669 5.705 1.00 0.61 C ATOM 244 CG TYR A 108 0.727 8.415 5.559 1.00 0.69 C ATOM 245 CD1 TYR A 108 1.282 9.082 6.665 1.00 1.91 C ATOM 246 CD2 TYR A 108 1.409 8.376 4.329 1.00 1.77 C ATOM 247 CE1 TYR A 108 2.538 9.698 6.549 1.00 1.92 C ATOM 248 CE2 TYR A 108 2.675 8.972 4.222 1.00 1.88 C ATOM 249 CZ TYR A 108 3.243 9.646 5.325 1.00 0.97 C ATOM 250 OH TYR A 108 4.457 10.247 5.213 1.00 1.16 O ATOM 0 H TYR A 108 -0.065 7.215 8.114 1.00 0.59 H new ATOM 0 HA TYR A 108 -1.267 5.657 5.967 1.00 0.54 H new ATOM 0 HB2 TYR A 108 -1.050 7.591 4.727 1.00 0.61 H new ATOM 0 HB3 TYR A 108 -1.246 8.248 6.340 1.00 0.61 H new ATOM 0 HD1 TYR A 108 0.744 9.120 7.601 1.00 1.91 H new ATOM 0 HD2 TYR A 108 0.962 7.891 3.474 1.00 1.77 H new ATOM 0 HE1 TYR A 108 2.966 10.213 7.396 1.00 1.92 H new ATOM 0 HE2 TYR A 108 3.218 8.915 3.290 1.00 1.88 H new ATOM 0 HH TYR A 108 4.805 10.115 4.306 1.00 1.16 H new ATOM 260 N VAL A 109 0.748 5.147 4.472 1.00 0.50 N ATOM 261 CA VAL A 109 1.827 4.596 3.631 1.00 0.51 C ATOM 262 C VAL A 109 2.159 5.537 2.470 1.00 0.49 C ATOM 263 O VAL A 109 1.245 6.083 1.857 1.00 0.48 O ATOM 264 CB VAL A 109 1.432 3.224 3.036 1.00 0.57 C ATOM 265 CG1 VAL A 109 0.118 3.219 2.249 1.00 0.69 C ATOM 266 CG2 VAL A 109 2.525 2.692 2.101 1.00 0.70 C ATOM 0 H VAL A 109 -0.114 5.266 3.940 1.00 0.50 H new ATOM 0 HA VAL A 109 2.697 4.482 4.278 1.00 0.51 H new ATOM 0 HB VAL A 109 1.301 2.588 3.911 1.00 0.57 H new ATOM 0 HG11 VAL A 109 -0.076 2.215 1.871 1.00 0.69 H new ATOM 0 HG12 VAL A 109 -0.699 3.524 2.903 1.00 0.69 H new ATOM 0 HG13 VAL A 109 0.192 3.914 1.413 1.00 0.69 H new ATOM 0 HG21 VAL A 109 2.220 1.726 1.697 1.00 0.70 H new ATOM 0 HG22 VAL A 109 2.678 3.396 1.283 1.00 0.70 H new ATOM 0 HG23 VAL A 109 3.455 2.575 2.658 1.00 0.70 H new ATOM 276 N GLY A 110 3.448 5.646 2.136 1.00 0.54 N ATOM 277 CA GLY A 110 3.938 6.212 0.877 1.00 0.59 C ATOM 278 C GLY A 110 4.534 5.145 -0.042 1.00 0.59 C ATOM 279 O GLY A 110 5.656 4.708 0.203 1.00 0.83 O ATOM 0 H GLY A 110 4.200 5.334 2.751 1.00 0.54 H new ATOM 0 HA2 GLY A 110 3.119 6.715 0.363 1.00 0.59 H new ATOM 0 HA3 GLY A 110 4.693 6.969 1.090 1.00 0.59 H new ATOM 283 N CYS A 111 3.811 4.768 -1.105 1.00 0.46 N ATOM 284 CA CYS A 111 4.301 3.935 -2.199 1.00 0.49 C ATOM 285 C CYS A 111 4.598 4.752 -3.480 1.00 0.46 C ATOM 286 O CYS A 111 3.974 5.790 -3.758 1.00 0.50 O ATOM 287 CB CYS A 111 3.282 2.803 -2.419 1.00 0.59 C ATOM 288 SG CYS A 111 2.874 2.340 -4.156 1.00 0.96 S ATOM 0 H CYS A 111 2.837 5.046 -1.226 1.00 0.46 H new ATOM 0 HA CYS A 111 5.265 3.501 -1.935 1.00 0.49 H new ATOM 0 HB2 CYS A 111 3.656 1.912 -1.914 1.00 0.59 H new ATOM 0 HB3 CYS A 111 2.355 3.086 -1.921 1.00 0.59 H new ATOM 0 HG CYS A 111 2.719 3.417 -4.867 1.00 0.96 H new ATOM 293 N THR A 112 5.528 4.217 -4.282 1.00 0.58 N ATOM 294 CA THR A 112 5.951 4.752 -5.583 1.00 0.54 C ATOM 295 C THR A 112 5.760 3.777 -6.747 1.00 0.51 C ATOM 296 O THR A 112 6.480 3.831 -7.743 1.00 0.62 O ATOM 297 CB THR A 112 7.384 5.296 -5.513 1.00 0.73 C ATOM 298 OG1 THR A 112 8.232 4.366 -4.878 1.00 0.85 O ATOM 299 CG2 THR A 112 7.423 6.572 -4.679 1.00 0.78 C ATOM 0 H THR A 112 6.027 3.364 -4.031 1.00 0.58 H new ATOM 0 HA THR A 112 5.281 5.583 -5.802 1.00 0.54 H new ATOM 0 HB THR A 112 7.713 5.486 -6.534 1.00 0.73 H new ATOM 0 HG1 THR A 112 8.277 3.546 -5.413 1.00 0.85 H new ATOM 0 HG21 THR A 112 8.445 6.948 -4.637 1.00 0.78 H new ATOM 0 HG22 THR A 112 6.778 7.324 -5.134 1.00 0.78 H new ATOM 0 HG23 THR A 112 7.074 6.357 -3.669 1.00 0.78 H new ATOM 307 N GLY A 113 4.840 2.819 -6.623 1.00 0.62 N ATOM 308 CA GLY A 113 4.592 1.767 -7.622 1.00 0.77 C ATOM 309 C GLY A 113 5.472 0.532 -7.413 1.00 0.99 C ATOM 310 O GLY A 113 5.111 -0.591 -7.740 1.00 2.03 O ATOM 0 H GLY A 113 4.230 2.747 -5.808 1.00 0.62 H new ATOM 0 HA2 GLY A 113 3.544 1.472 -7.580 1.00 0.77 H new ATOM 0 HA3 GLY A 113 4.770 2.170 -8.619 1.00 0.77 H new ATOM 314 N SER A 114 6.642 0.765 -6.835 1.00 1.30 N ATOM 315 CA SER A 114 7.752 -0.157 -6.628 1.00 1.59 C ATOM 316 C SER A 114 8.834 0.587 -5.816 1.00 1.44 C ATOM 317 O SER A 114 8.805 1.827 -5.790 1.00 1.58 O ATOM 318 CB SER A 114 8.308 -0.626 -7.985 1.00 2.32 C ATOM 319 OG SER A 114 8.958 0.437 -8.650 1.00 3.94 O ATOM 0 H SER A 114 6.859 1.690 -6.464 1.00 1.30 H new ATOM 0 HA SER A 114 7.423 -1.043 -6.084 1.00 1.59 H new ATOM 0 HB2 SER A 114 9.007 -1.449 -7.833 1.00 2.32 H new ATOM 0 HB3 SER A 114 7.496 -1.008 -8.604 1.00 2.32 H new ATOM 0 HG SER A 114 8.645 0.483 -9.577 1.00 3.94 H new ATOM 325 N PRO A 115 9.802 -0.117 -5.196 1.00 1.55 N ATOM 326 CA PRO A 115 10.953 0.506 -4.535 1.00 1.69 C ATOM 327 C PRO A 115 11.931 1.193 -5.503 1.00 1.65 C ATOM 328 O PRO A 115 12.912 1.774 -5.045 1.00 2.21 O ATOM 329 CB PRO A 115 11.657 -0.630 -3.783 1.00 2.11 C ATOM 330 CG PRO A 115 11.283 -1.874 -4.584 1.00 2.19 C ATOM 331 CD PRO A 115 9.862 -1.566 -5.042 1.00 1.87 C ATOM 0 HA PRO A 115 10.608 1.305 -3.879 1.00 1.69 H new ATOM 0 HB2 PRO A 115 12.736 -0.482 -3.752 1.00 2.11 H new ATOM 0 HB3 PRO A 115 11.315 -0.700 -2.750 1.00 2.11 H new ATOM 0 HG2 PRO A 115 11.955 -2.029 -5.428 1.00 2.19 H new ATOM 0 HG3 PRO A 115 11.325 -2.776 -3.973 1.00 2.19 H new ATOM 0 HD2 PRO A 115 9.636 -2.069 -5.982 1.00 1.87 H new ATOM 0 HD3 PRO A 115 9.131 -1.913 -4.311 1.00 1.87 H new ATOM 339 N ALA A 116 11.709 1.107 -6.820 1.00 1.41 N ATOM 340 CA ALA A 116 12.562 1.702 -7.848 1.00 1.65 C ATOM 341 C ALA A 116 11.923 2.895 -8.580 1.00 1.56 C ATOM 342 O ALA A 116 12.550 3.470 -9.466 1.00 2.29 O ATOM 343 CB ALA A 116 12.945 0.571 -8.806 1.00 2.00 C ATOM 0 H ALA A 116 10.909 0.607 -7.207 1.00 1.41 H new ATOM 0 HA ALA A 116 13.444 2.138 -7.379 1.00 1.65 H new ATOM 0 HB1 ALA A 116 13.585 0.964 -9.596 1.00 2.00 H new ATOM 0 HB2 ALA A 116 13.480 -0.204 -8.258 1.00 2.00 H new ATOM 0 HB3 ALA A 116 12.043 0.147 -9.247 1.00 2.00 H new ATOM 349 N GLY A 117 10.692 3.254 -8.203 1.00 1.03 N ATOM 350 CA GLY A 117 9.911 4.321 -8.829 1.00 1.04 C ATOM 351 C GLY A 117 9.272 3.844 -10.129 1.00 1.10 C ATOM 352 O GLY A 117 9.861 3.950 -11.199 1.00 1.77 O ATOM 0 H GLY A 117 10.200 2.798 -7.434 1.00 1.03 H new ATOM 0 HA2 GLY A 117 9.135 4.659 -8.142 1.00 1.04 H new ATOM 0 HA3 GLY A 117 10.555 5.177 -9.030 1.00 1.04 H new ATOM 356 N SER A 118 8.044 3.334 -10.043 1.00 0.74 N ATOM 357 CA SER A 118 7.254 2.961 -11.229 1.00 0.80 C ATOM 358 C SER A 118 6.166 3.983 -11.569 1.00 0.78 C ATOM 359 O SER A 118 5.857 4.156 -12.743 1.00 1.01 O ATOM 360 CB SER A 118 6.632 1.568 -11.058 1.00 0.83 C ATOM 361 OG SER A 118 7.626 0.551 -11.053 1.00 1.45 O ATOM 0 H SER A 118 7.566 3.166 -9.158 1.00 0.74 H new ATOM 0 HA SER A 118 7.952 2.945 -12.066 1.00 0.80 H new ATOM 0 HB2 SER A 118 6.068 1.532 -10.126 1.00 0.83 H new ATOM 0 HB3 SER A 118 5.924 1.383 -11.866 1.00 0.83 H new ATOM 0 HG SER A 118 7.199 -0.324 -10.941 1.00 1.45 H new ATOM 367 N HIS A 119 5.606 4.690 -10.582 1.00 0.62 N ATOM 368 CA HIS A 119 4.777 5.874 -10.819 1.00 0.63 C ATOM 369 C HIS A 119 5.304 7.102 -10.039 1.00 0.79 C ATOM 370 O HIS A 119 6.509 7.216 -9.813 1.00 1.52 O ATOM 371 CB HIS A 119 3.321 5.442 -10.589 1.00 0.56 C ATOM 372 CG HIS A 119 2.912 5.205 -9.149 1.00 0.50 C ATOM 373 ND1 HIS A 119 2.778 6.130 -8.168 1.00 0.47 N ATOM 374 CD2 HIS A 119 2.509 4.010 -8.652 1.00 0.57 C ATOM 375 CE1 HIS A 119 2.398 5.541 -7.041 1.00 0.43 C ATOM 376 NE2 HIS A 119 2.161 4.250 -7.315 1.00 0.51 N ATOM 0 H HIS A 119 5.716 4.456 -9.595 1.00 0.62 H new ATOM 0 HA HIS A 119 4.829 6.245 -11.842 1.00 0.63 H new ATOM 0 HB2 HIS A 119 2.667 6.206 -11.010 1.00 0.56 H new ATOM 0 HB3 HIS A 119 3.143 4.525 -11.151 1.00 0.56 H new ATOM 0 HD2 HIS A 119 2.465 3.067 -9.177 1.00 0.57 H new ATOM 0 HE1 HIS A 119 2.298 6.016 -6.076 1.00 0.43 H new ATOM 0 HE2 HIS A 119 1.790 3.560 -6.662 1.00 0.51 H new ATOM 384 N THR A 120 4.437 8.050 -9.658 1.00 0.70 N ATOM 385 CA THR A 120 4.768 9.104 -8.674 1.00 0.74 C ATOM 386 C THR A 120 4.839 8.539 -7.255 1.00 0.68 C ATOM 387 O THR A 120 4.992 7.345 -7.089 1.00 0.61 O ATOM 388 CB THR A 120 3.802 10.267 -8.863 1.00 0.92 C ATOM 389 OG1 THR A 120 4.355 11.409 -8.268 1.00 1.02 O ATOM 390 CG2 THR A 120 2.415 10.010 -8.290 1.00 0.96 C ATOM 0 H THR A 120 3.485 8.113 -10.020 1.00 0.70 H new ATOM 0 HA THR A 120 5.770 9.498 -8.846 1.00 0.74 H new ATOM 0 HB THR A 120 3.666 10.403 -9.936 1.00 0.92 H new ATOM 0 HG1 THR A 120 3.744 12.167 -8.384 1.00 1.02 H new ATOM 0 HG21 THR A 120 1.783 10.881 -8.462 1.00 0.96 H new ATOM 0 HG22 THR A 120 1.975 9.140 -8.778 1.00 0.96 H new ATOM 0 HG23 THR A 120 2.493 9.824 -7.219 1.00 0.96 H new ATOM 398 N ILE A 121 4.677 9.369 -6.240 1.00 0.83 N ATOM 399 CA ILE A 121 4.389 9.019 -4.850 1.00 0.78 C ATOM 400 C ILE A 121 2.910 9.297 -4.567 1.00 0.73 C ATOM 401 O ILE A 121 2.349 10.256 -5.088 1.00 0.83 O ATOM 402 CB ILE A 121 5.328 9.819 -3.930 1.00 0.90 C ATOM 403 CG1 ILE A 121 5.166 9.441 -2.442 1.00 0.93 C ATOM 404 CG2 ILE A 121 5.139 11.337 -4.040 1.00 1.05 C ATOM 405 CD1 ILE A 121 5.972 8.224 -2.032 1.00 0.97 C ATOM 0 H ILE A 121 4.747 10.378 -6.369 1.00 0.83 H new ATOM 0 HA ILE A 121 4.568 7.960 -4.661 1.00 0.78 H new ATOM 0 HB ILE A 121 6.325 9.551 -4.280 1.00 0.90 H new ATOM 0 HG12 ILE A 121 5.466 10.289 -1.826 1.00 0.93 H new ATOM 0 HG13 ILE A 121 4.112 9.254 -2.236 1.00 0.93 H new ATOM 0 HG21 ILE A 121 5.832 11.840 -3.365 1.00 1.05 H new ATOM 0 HG22 ILE A 121 5.335 11.655 -5.064 1.00 1.05 H new ATOM 0 HG23 ILE A 121 4.116 11.597 -3.769 1.00 1.05 H new ATOM 0 HD11 ILE A 121 5.808 8.019 -0.974 1.00 0.97 H new ATOM 0 HD12 ILE A 121 5.657 7.363 -2.622 1.00 0.97 H new ATOM 0 HD13 ILE A 121 7.031 8.414 -2.205 1.00 0.97 H new ATOM 417 N MET A 122 2.278 8.490 -3.725 1.00 0.62 N ATOM 418 CA MET A 122 0.928 8.751 -3.216 1.00 0.75 C ATOM 419 C MET A 122 0.765 8.254 -1.775 1.00 0.62 C ATOM 420 O MET A 122 1.614 7.507 -1.289 1.00 0.64 O ATOM 421 CB MET A 122 -0.124 8.192 -4.194 1.00 1.12 C ATOM 422 CG MET A 122 -0.031 6.700 -4.463 1.00 1.08 C ATOM 423 SD MET A 122 -0.698 5.784 -3.085 1.00 3.18 S ATOM 424 CE MET A 122 0.724 4.829 -2.553 1.00 4.53 C ATOM 0 H MET A 122 2.688 7.626 -3.370 1.00 0.62 H new ATOM 0 HA MET A 122 0.764 9.827 -3.164 1.00 0.75 H new ATOM 0 HB2 MET A 122 -1.116 8.412 -3.800 1.00 1.12 H new ATOM 0 HB3 MET A 122 -0.033 8.722 -5.142 1.00 1.12 H new ATOM 0 HG2 MET A 122 -0.578 6.452 -5.373 1.00 1.08 H new ATOM 0 HG3 MET A 122 1.008 6.417 -4.629 1.00 1.08 H new ATOM 0 HE1 MET A 122 0.745 4.784 -1.464 1.00 4.53 H new ATOM 0 HE2 MET A 122 0.656 3.819 -2.957 1.00 4.53 H new ATOM 0 HE3 MET A 122 1.637 5.303 -2.914 1.00 4.53 H new ATOM 434 N TRP A 123 -0.315 8.667 -1.098 1.00 0.65 N ATOM 435 CA TRP A 123 -0.561 8.355 0.313 1.00 0.57 C ATOM 436 C TRP A 123 -1.843 7.526 0.509 1.00 0.49 C ATOM 437 O TRP A 123 -2.906 7.927 0.035 1.00 0.66 O ATOM 438 CB TRP A 123 -0.635 9.649 1.145 1.00 0.74 C ATOM 439 CG TRP A 123 0.312 10.762 0.795 1.00 0.98 C ATOM 440 CD1 TRP A 123 -0.058 12.032 0.516 1.00 1.45 C ATOM 441 CD2 TRP A 123 1.774 10.753 0.712 1.00 1.04 C ATOM 442 NE1 TRP A 123 1.059 12.806 0.283 1.00 1.61 N ATOM 443 CE2 TRP A 123 2.219 12.076 0.415 1.00 1.31 C ATOM 444 CE3 TRP A 123 2.770 9.769 0.871 1.00 1.32 C ATOM 445 CZ2 TRP A 123 3.577 12.411 0.315 1.00 1.44 C ATOM 446 CZ3 TRP A 123 4.138 10.092 0.784 1.00 1.62 C ATOM 447 CH2 TRP A 123 4.543 11.411 0.511 1.00 1.53 C ATOM 0 H TRP A 123 -1.050 9.234 -1.521 1.00 0.65 H new ATOM 0 HA TRP A 123 0.277 7.750 0.660 1.00 0.57 H new ATOM 0 HB2 TRP A 123 -1.651 10.038 1.070 1.00 0.74 H new ATOM 0 HB3 TRP A 123 -0.470 9.385 2.190 1.00 0.74 H new ATOM 0 HD1 TRP A 123 -1.077 12.388 0.481 1.00 1.45 H new ATOM 0 HE1 TRP A 123 1.030 13.797 0.043 1.00 1.61 H new ATOM 0 HE3 TRP A 123 2.479 8.747 1.063 1.00 1.32 H new ATOM 0 HZ2 TRP A 123 3.876 13.424 0.090 1.00 1.44 H new ATOM 0 HZ3 TRP A 123 4.881 9.322 0.928 1.00 1.62 H new ATOM 0 HH2 TRP A 123 5.594 11.654 0.452 1.00 1.53 H new ATOM 458 N LEU A 124 -1.770 6.418 1.261 1.00 0.52 N ATOM 459 CA LEU A 124 -2.930 5.576 1.625 1.00 0.61 C ATOM 460 C LEU A 124 -2.941 5.350 3.141 1.00 0.62 C ATOM 461 O LEU A 124 -1.912 5.530 3.786 1.00 0.57 O ATOM 462 CB LEU A 124 -2.906 4.208 0.893 1.00 0.68 C ATOM 463 CG LEU A 124 -2.301 4.209 -0.524 1.00 0.70 C ATOM 464 CD1 LEU A 124 -1.913 2.816 -1.004 1.00 0.73 C ATOM 465 CD2 LEU A 124 -3.292 4.784 -1.532 1.00 0.83 C ATOM 0 H LEU A 124 -0.890 6.072 1.642 1.00 0.52 H new ATOM 0 HA LEU A 124 -3.834 6.100 1.316 1.00 0.61 H new ATOM 0 HB2 LEU A 124 -2.346 3.501 1.505 1.00 0.68 H new ATOM 0 HB3 LEU A 124 -3.928 3.835 0.830 1.00 0.68 H new ATOM 0 HG LEU A 124 -1.403 4.823 -0.460 1.00 0.70 H new ATOM 0 HD11 LEU A 124 -1.493 2.881 -2.008 1.00 0.73 H new ATOM 0 HD12 LEU A 124 -1.172 2.391 -0.327 1.00 0.73 H new ATOM 0 HD13 LEU A 124 -2.796 2.178 -1.021 1.00 0.73 H new ATOM 0 HD21 LEU A 124 -2.846 4.776 -2.526 1.00 0.83 H new ATOM 0 HD22 LEU A 124 -4.199 4.179 -1.536 1.00 0.83 H new ATOM 0 HD23 LEU A 124 -3.540 5.808 -1.254 1.00 0.83 H new ATOM 477 N LYS A 125 -4.054 4.903 3.733 1.00 0.74 N ATOM 478 CA LYS A 125 -4.139 4.533 5.163 1.00 0.74 C ATOM 479 C LYS A 125 -4.821 3.163 5.338 1.00 0.58 C ATOM 480 O LYS A 125 -6.041 3.117 5.204 1.00 0.74 O ATOM 481 CB LYS A 125 -4.924 5.601 5.962 1.00 1.15 C ATOM 482 CG LYS A 125 -4.042 6.728 6.512 1.00 2.77 C ATOM 483 CD LYS A 125 -4.722 7.463 7.676 1.00 3.74 C ATOM 484 CE LYS A 125 -3.710 8.377 8.383 1.00 5.84 C ATOM 485 NZ LYS A 125 -4.065 8.596 9.808 1.00 6.83 N ATOM 0 H LYS A 125 -4.935 4.784 3.233 1.00 0.74 H new ATOM 0 HA LYS A 125 -3.121 4.475 5.547 1.00 0.74 H new ATOM 0 HB2 LYS A 125 -5.691 6.032 5.319 1.00 1.15 H new ATOM 0 HB3 LYS A 125 -5.439 5.116 6.792 1.00 1.15 H new ATOM 0 HG2 LYS A 125 -3.091 6.315 6.848 1.00 2.77 H new ATOM 0 HG3 LYS A 125 -3.818 7.437 5.715 1.00 2.77 H new ATOM 0 HD2 LYS A 125 -5.560 8.053 7.304 1.00 3.74 H new ATOM 0 HD3 LYS A 125 -5.129 6.741 8.384 1.00 3.74 H new ATOM 0 HE2 LYS A 125 -2.716 7.935 8.320 1.00 5.84 H new ATOM 0 HE3 LYS A 125 -3.666 9.337 7.868 1.00 5.84 H new ATOM 0 HZ1 LYS A 125 -3.486 9.368 10.195 1.00 6.83 H new ATOM 0 HZ2 LYS A 125 -5.071 8.848 9.880 1.00 6.83 H new ATOM 0 HZ3 LYS A 125 -3.886 7.725 10.348 1.00 6.83 H new ATOM 499 N PRO A 126 -4.083 2.075 5.650 1.00 0.59 N ATOM 500 CA PRO A 126 -4.684 0.767 5.880 1.00 0.84 C ATOM 501 C PRO A 126 -5.457 0.688 7.202 1.00 1.35 C ATOM 502 O PRO A 126 -6.680 0.639 7.153 1.00 3.21 O ATOM 503 CB PRO A 126 -3.577 -0.274 5.723 1.00 1.09 C ATOM 504 CG PRO A 126 -2.409 0.495 5.099 1.00 1.11 C ATOM 505 CD PRO A 126 -2.636 1.935 5.560 1.00 0.72 C ATOM 0 HA PRO A 126 -5.460 0.565 5.142 1.00 0.84 H new ATOM 0 HB2 PRO A 126 -3.299 -0.705 6.685 1.00 1.09 H new ATOM 0 HB3 PRO A 126 -3.895 -1.098 5.084 1.00 1.09 H new ATOM 0 HG2 PRO A 126 -1.448 0.111 5.442 1.00 1.11 H new ATOM 0 HG3 PRO A 126 -2.413 0.417 4.012 1.00 1.11 H new ATOM 0 HD2 PRO A 126 -2.160 2.121 6.523 1.00 0.72 H new ATOM 0 HD3 PRO A 126 -2.213 2.648 4.852 1.00 0.72 H new ATOM 513 N THR A 127 -4.755 0.721 8.350 1.00 0.77 N ATOM 514 CA THR A 127 -5.197 0.525 9.746 1.00 0.67 C ATOM 515 C THR A 127 -4.834 -0.891 10.183 1.00 0.58 C ATOM 516 O THR A 127 -4.843 -1.798 9.367 1.00 0.58 O ATOM 517 CB THR A 127 -6.679 0.815 9.999 1.00 0.77 C ATOM 518 OG1 THR A 127 -6.985 2.076 9.463 1.00 1.24 O ATOM 519 CG2 THR A 127 -7.058 0.792 11.464 1.00 0.83 C ATOM 0 H THR A 127 -3.752 0.906 8.320 1.00 0.77 H new ATOM 0 HA THR A 127 -4.671 1.265 10.349 1.00 0.67 H new ATOM 0 HB THR A 127 -7.250 0.022 9.517 1.00 0.77 H new ATOM 0 HG1 THR A 127 -7.143 1.992 8.499 1.00 1.24 H new ATOM 0 HG21 THR A 127 -8.122 1.006 11.568 1.00 0.83 H new ATOM 0 HG22 THR A 127 -6.843 -0.192 11.880 1.00 0.83 H new ATOM 0 HG23 THR A 127 -6.482 1.546 12.001 1.00 0.83 H new ATOM 527 N VAL A 128 -4.518 -1.088 11.455 1.00 0.60 N ATOM 528 CA VAL A 128 -3.987 -2.320 12.068 1.00 0.69 C ATOM 529 C VAL A 128 -4.688 -3.609 11.627 1.00 0.84 C ATOM 530 O VAL A 128 -4.043 -4.631 11.397 1.00 1.17 O ATOM 531 CB VAL A 128 -3.980 -2.204 13.615 1.00 0.70 C ATOM 532 CG1 VAL A 128 -5.274 -1.550 14.127 1.00 0.72 C ATOM 533 CG2 VAL A 128 -3.750 -3.562 14.307 1.00 0.83 C ATOM 0 H VAL A 128 -4.630 -0.344 12.144 1.00 0.60 H new ATOM 0 HA VAL A 128 -2.965 -2.406 11.699 1.00 0.69 H new ATOM 0 HB VAL A 128 -3.138 -1.563 13.875 1.00 0.70 H new ATOM 0 HG11 VAL A 128 -5.242 -1.482 15.214 1.00 0.72 H new ATOM 0 HG12 VAL A 128 -5.369 -0.550 13.703 1.00 0.72 H new ATOM 0 HG13 VAL A 128 -6.130 -2.154 13.827 1.00 0.72 H new ATOM 0 HG21 VAL A 128 -3.754 -3.425 15.388 1.00 0.83 H new ATOM 0 HG22 VAL A 128 -4.545 -4.253 14.026 1.00 0.83 H new ATOM 0 HG23 VAL A 128 -2.788 -3.970 13.997 1.00 0.83 H new ATOM 543 N ASN A 129 -6.014 -3.570 11.513 1.00 0.89 N ATOM 544 CA ASN A 129 -6.841 -4.713 11.134 1.00 1.34 C ATOM 545 C ASN A 129 -6.919 -4.898 9.605 1.00 1.43 C ATOM 546 O ASN A 129 -7.185 -6.000 9.116 1.00 2.14 O ATOM 547 CB ASN A 129 -8.237 -4.470 11.731 1.00 1.57 C ATOM 548 CG ASN A 129 -8.265 -4.273 13.241 1.00 1.45 C ATOM 549 OD1 ASN A 129 -9.016 -3.463 13.754 1.00 1.62 O ATOM 550 ND2 ASN A 129 -7.452 -4.977 14.002 1.00 2.96 N ATOM 0 H ASN A 129 -6.555 -2.723 11.686 1.00 0.89 H new ATOM 0 HA ASN A 129 -6.401 -5.633 11.519 1.00 1.34 H new ATOM 0 HB2 ASN A 129 -8.670 -3.590 11.257 1.00 1.57 H new ATOM 0 HB3 ASN A 129 -8.876 -5.316 11.478 1.00 1.57 H new ATOM 0 HD21 ASN A 129 -7.455 -4.842 15.013 1.00 2.96 H new ATOM 0 HD22 ASN A 129 -6.820 -5.657 13.580 1.00 2.96 H new ATOM 557 N GLU A 130 -6.665 -3.820 8.867 1.00 0.84 N ATOM 558 CA GLU A 130 -7.326 -3.462 7.630 1.00 0.64 C ATOM 559 C GLU A 130 -6.390 -3.076 6.490 1.00 0.57 C ATOM 560 O GLU A 130 -5.163 -3.080 6.603 1.00 1.09 O ATOM 561 CB GLU A 130 -8.231 -2.258 7.951 1.00 0.91 C ATOM 562 CG GLU A 130 -9.636 -2.700 8.324 1.00 1.18 C ATOM 563 CD GLU A 130 -10.338 -3.362 7.135 1.00 3.11 C ATOM 564 OE1 GLU A 130 -9.783 -3.247 6.011 1.00 4.32 O ATOM 565 OE2 GLU A 130 -11.359 -4.035 7.383 1.00 4.20 O ATOM 0 H GLU A 130 -5.953 -3.141 9.137 1.00 0.84 H new ATOM 0 HA GLU A 130 -7.865 -4.341 7.278 1.00 0.64 H new ATOM 0 HB2 GLU A 130 -7.799 -1.686 8.772 1.00 0.91 H new ATOM 0 HB3 GLU A 130 -8.275 -1.594 7.088 1.00 0.91 H new ATOM 0 HG2 GLU A 130 -9.591 -3.399 9.159 1.00 1.18 H new ATOM 0 HG3 GLU A 130 -10.215 -1.839 8.659 1.00 1.18 H new ATOM 572 N VAL A 131 -7.038 -2.774 5.369 1.00 0.46 N ATOM 573 CA VAL A 131 -6.407 -2.664 4.047 1.00 0.64 C ATOM 574 C VAL A 131 -6.764 -1.392 3.269 1.00 0.70 C ATOM 575 O VAL A 131 -7.872 -0.868 3.363 1.00 0.76 O ATOM 576 CB VAL A 131 -6.710 -3.904 3.195 1.00 0.67 C ATOM 577 CG1 VAL A 131 -6.025 -5.141 3.779 1.00 0.58 C ATOM 578 CG2 VAL A 131 -8.202 -4.198 3.018 1.00 0.68 C ATOM 0 H VAL A 131 -8.042 -2.593 5.348 1.00 0.46 H new ATOM 0 HA VAL A 131 -5.338 -2.598 4.249 1.00 0.64 H new ATOM 0 HB VAL A 131 -6.314 -3.672 2.206 1.00 0.67 H new ATOM 0 HG11 VAL A 131 -6.252 -6.009 3.160 1.00 0.58 H new ATOM 0 HG12 VAL A 131 -4.947 -4.984 3.801 1.00 0.58 H new ATOM 0 HG13 VAL A 131 -6.387 -5.313 4.793 1.00 0.58 H new ATOM 0 HG21 VAL A 131 -8.327 -5.090 2.404 1.00 0.68 H new ATOM 0 HG22 VAL A 131 -8.659 -4.363 3.994 1.00 0.68 H new ATOM 0 HG23 VAL A 131 -8.684 -3.351 2.530 1.00 0.68 H new ATOM 588 N ALA A 132 -5.807 -0.915 2.463 1.00 0.68 N ATOM 589 CA ALA A 132 -5.967 0.222 1.547 1.00 0.68 C ATOM 590 C ALA A 132 -5.216 0.013 0.217 1.00 0.67 C ATOM 591 O ALA A 132 -4.100 -0.496 0.222 1.00 0.65 O ATOM 592 CB ALA A 132 -5.498 1.493 2.260 1.00 0.79 C ATOM 0 H ALA A 132 -4.872 -1.322 2.429 1.00 0.68 H new ATOM 0 HA ALA A 132 -7.020 0.315 1.282 1.00 0.68 H new ATOM 0 HB1 ALA A 132 -5.610 2.347 1.592 1.00 0.79 H new ATOM 0 HB2 ALA A 132 -6.099 1.651 3.156 1.00 0.79 H new ATOM 0 HB3 ALA A 132 -4.450 1.387 2.540 1.00 0.79 H new ATOM 598 N ARG A 133 -5.812 0.435 -0.907 1.00 0.76 N ATOM 599 CA ARG A 133 -5.339 0.145 -2.269 1.00 0.65 C ATOM 600 C ARG A 133 -5.063 1.401 -3.102 1.00 0.69 C ATOM 601 O ARG A 133 -5.868 2.333 -3.100 1.00 0.79 O ATOM 602 CB ARG A 133 -6.414 -0.732 -2.924 1.00 0.64 C ATOM 603 CG ARG A 133 -5.958 -1.438 -4.212 1.00 0.72 C ATOM 604 CD ARG A 133 -6.228 -0.669 -5.502 1.00 1.44 C ATOM 605 NE ARG A 133 -7.668 -0.492 -5.740 1.00 2.16 N ATOM 606 CZ ARG A 133 -8.233 0.461 -6.471 1.00 3.45 C ATOM 607 NH1 ARG A 133 -7.530 1.373 -7.109 1.00 4.45 N ATOM 608 NH2 ARG A 133 -9.544 0.497 -6.565 1.00 4.36 N ATOM 0 H ARG A 133 -6.659 1.003 -0.894 1.00 0.76 H new ATOM 0 HA ARG A 133 -4.376 -0.364 -2.218 1.00 0.65 H new ATOM 0 HB2 ARG A 133 -6.738 -1.485 -2.206 1.00 0.64 H new ATOM 0 HB3 ARG A 133 -7.282 -0.113 -3.151 1.00 0.64 H new ATOM 0 HG2 ARG A 133 -4.888 -1.634 -4.141 1.00 0.72 H new ATOM 0 HG3 ARG A 133 -6.456 -2.406 -4.273 1.00 0.72 H new ATOM 0 HD2 ARG A 133 -5.745 0.307 -5.451 1.00 1.44 H new ATOM 0 HD3 ARG A 133 -5.783 -1.202 -6.343 1.00 1.44 H new ATOM 0 HE ARG A 133 -8.294 -1.167 -5.301 1.00 2.16 H new ATOM 0 HH11 ARG A 133 -6.512 1.364 -7.052 1.00 4.45 H new ATOM 0 HH12 ARG A 133 -8.004 2.089 -7.660 1.00 4.45 H new ATOM 0 HH21 ARG A 133 -10.109 -0.200 -6.081 1.00 4.36 H new ATOM 0 HH22 ARG A 133 -9.996 1.222 -7.122 1.00 4.36 H new ATOM 622 N CYS A 134 -3.976 1.368 -3.872 1.00 0.73 N ATOM 623 CA CYS A 134 -3.482 2.493 -4.641 1.00 0.71 C ATOM 624 C CYS A 134 -4.299 2.884 -5.887 1.00 0.87 C ATOM 625 O CYS A 134 -4.858 2.052 -6.609 1.00 1.27 O ATOM 626 CB CYS A 134 -2.034 2.164 -4.961 1.00 0.72 C ATOM 627 SG CYS A 134 -1.092 3.455 -5.828 1.00 0.87 S ATOM 0 H CYS A 134 -3.403 0.530 -3.976 1.00 0.73 H new ATOM 0 HA CYS A 134 -3.583 3.398 -4.042 1.00 0.71 H new ATOM 0 HB2 CYS A 134 -1.520 1.933 -4.028 1.00 0.72 H new ATOM 0 HB3 CYS A 134 -2.014 1.259 -5.568 1.00 0.72 H new ATOM 0 HG CYS A 134 0.132 3.054 -6.004 1.00 0.87 H new ATOM 632 N TRP A 135 -4.330 4.190 -6.141 1.00 1.01 N ATOM 633 CA TRP A 135 -4.957 4.793 -7.313 1.00 1.31 C ATOM 634 C TRP A 135 -3.978 5.064 -8.470 1.00 1.51 C ATOM 635 O TRP A 135 -4.459 5.371 -9.558 1.00 1.89 O ATOM 636 CB TRP A 135 -5.685 6.072 -6.873 1.00 1.37 C ATOM 637 CG TRP A 135 -4.792 7.188 -6.432 1.00 1.46 C ATOM 638 CD1 TRP A 135 -4.400 7.435 -5.163 1.00 1.41 C ATOM 639 CD2 TRP A 135 -4.114 8.181 -7.261 1.00 1.84 C ATOM 640 NE1 TRP A 135 -3.540 8.512 -5.150 1.00 1.74 N ATOM 641 CE2 TRP A 135 -3.294 8.988 -6.420 1.00 1.97 C ATOM 642 CE3 TRP A 135 -4.068 8.444 -8.648 1.00 2.20 C ATOM 643 CZ2 TRP A 135 -2.457 9.993 -6.926 1.00 2.38 C ATOM 644 CZ3 TRP A 135 -3.207 9.421 -9.173 1.00 2.55 C ATOM 645 CH2 TRP A 135 -2.410 10.204 -8.316 1.00 2.63 C ATOM 0 H TRP A 135 -3.907 4.878 -5.518 1.00 1.01 H new ATOM 0 HA TRP A 135 -5.670 4.076 -7.720 1.00 1.31 H new ATOM 0 HB2 TRP A 135 -6.300 6.425 -7.701 1.00 1.37 H new ATOM 0 HB3 TRP A 135 -6.362 5.824 -6.056 1.00 1.37 H new ATOM 0 HD1 TRP A 135 -4.712 6.875 -4.294 1.00 1.41 H new ATOM 0 HE1 TRP A 135 -3.134 8.909 -4.303 1.00 1.74 H new ATOM 0 HE3 TRP A 135 -4.706 7.884 -9.316 1.00 2.20 H new ATOM 0 HZ2 TRP A 135 -1.858 10.595 -6.259 1.00 2.38 H new ATOM 0 HZ3 TRP A 135 -3.156 9.573 -10.241 1.00 2.55 H new ATOM 0 HH2 TRP A 135 -1.763 10.966 -8.725 1.00 2.63 H new ATOM 656 N GLU A 136 -2.653 4.952 -8.272 1.00 1.31 N ATOM 657 CA GLU A 136 -1.708 5.123 -9.398 1.00 1.33 C ATOM 658 C GLU A 136 -1.413 3.736 -9.998 1.00 1.41 C ATOM 659 O GLU A 136 -1.822 3.458 -11.121 1.00 1.77 O ATOM 660 CB GLU A 136 -0.401 5.817 -8.976 1.00 1.12 C ATOM 661 CG GLU A 136 -0.420 7.362 -8.927 1.00 1.22 C ATOM 662 CD GLU A 136 0.365 8.095 -10.045 1.00 1.55 C ATOM 663 OE1 GLU A 136 1.609 7.933 -10.121 1.00 2.51 O ATOM 664 OE2 GLU A 136 -0.168 8.947 -10.785 1.00 2.42 O ATOM 0 H GLU A 136 -2.218 4.750 -7.372 1.00 1.31 H new ATOM 0 HA GLU A 136 -2.171 5.773 -10.140 1.00 1.33 H new ATOM 0 HB2 GLU A 136 -0.124 5.449 -7.988 1.00 1.12 H new ATOM 0 HB3 GLU A 136 0.386 5.508 -9.664 1.00 1.12 H new ATOM 0 HG2 GLU A 136 -1.458 7.693 -8.965 1.00 1.22 H new ATOM 0 HG3 GLU A 136 -0.019 7.679 -7.964 1.00 1.22 H new ATOM 671 N CYS A 137 -0.748 2.855 -9.237 1.00 1.25 N ATOM 672 CA CYS A 137 -0.521 1.468 -9.619 1.00 1.40 C ATOM 673 C CYS A 137 -1.817 0.633 -9.467 1.00 1.78 C ATOM 674 O CYS A 137 -2.433 0.200 -10.448 1.00 2.90 O ATOM 675 CB CYS A 137 0.677 0.936 -8.785 1.00 1.29 C ATOM 676 SG CYS A 137 0.614 1.129 -6.979 1.00 1.29 S ATOM 0 H CYS A 137 -0.351 3.096 -8.329 1.00 1.25 H new ATOM 0 HA CYS A 137 -0.261 1.385 -10.674 1.00 1.40 H new ATOM 0 HB2 CYS A 137 0.790 -0.126 -9.003 1.00 1.29 H new ATOM 0 HB3 CYS A 137 1.579 1.433 -9.142 1.00 1.29 H new ATOM 0 HG CYS A 137 -0.393 1.886 -6.658 1.00 1.29 H new ATOM 681 N GLY A 138 -2.139 0.281 -8.217 1.00 0.86 N ATOM 682 CA GLY A 138 -3.134 -0.756 -7.900 1.00 0.78 C ATOM 683 C GLY A 138 -2.694 -1.912 -6.999 1.00 0.79 C ATOM 684 O GLY A 138 -3.346 -2.957 -7.004 1.00 0.88 O ATOM 0 H GLY A 138 -1.717 0.707 -7.392 1.00 0.86 H new ATOM 0 HA2 GLY A 138 -3.987 -0.269 -7.428 1.00 0.78 H new ATOM 0 HA3 GLY A 138 -3.488 -1.179 -8.840 1.00 0.78 H new ATOM 688 N SER A 139 -1.613 -1.802 -6.236 1.00 0.75 N ATOM 689 CA SER A 139 -1.287 -2.732 -5.150 1.00 0.72 C ATOM 690 C SER A 139 -2.186 -2.482 -3.926 1.00 0.63 C ATOM 691 O SER A 139 -2.503 -1.332 -3.623 1.00 0.73 O ATOM 692 CB SER A 139 0.207 -2.605 -4.792 1.00 0.82 C ATOM 693 OG SER A 139 0.603 -1.262 -4.892 1.00 1.77 O ATOM 0 H SER A 139 -0.926 -1.057 -6.352 1.00 0.75 H new ATOM 0 HA SER A 139 -1.476 -3.752 -5.483 1.00 0.72 H new ATOM 0 HB2 SER A 139 0.381 -2.972 -3.780 1.00 0.82 H new ATOM 0 HB3 SER A 139 0.806 -3.222 -5.462 1.00 0.82 H new ATOM 0 HG SER A 139 1.078 -0.999 -4.076 1.00 1.77 H new ATOM 699 N VAL A 140 -2.605 -3.546 -3.216 1.00 0.56 N ATOM 700 CA VAL A 140 -3.225 -3.386 -1.890 1.00 0.56 C ATOM 701 C VAL A 140 -2.123 -3.459 -0.860 1.00 0.56 C ATOM 702 O VAL A 140 -1.267 -4.327 -0.955 1.00 0.65 O ATOM 703 CB VAL A 140 -4.284 -4.455 -1.524 1.00 0.59 C ATOM 704 CG1 VAL A 140 -4.922 -4.179 -0.149 1.00 0.64 C ATOM 705 CG2 VAL A 140 -5.420 -4.465 -2.541 1.00 0.65 C ATOM 0 H VAL A 140 -2.527 -4.512 -3.534 1.00 0.56 H new ATOM 0 HA VAL A 140 -3.751 -2.432 -1.910 1.00 0.56 H new ATOM 0 HB VAL A 140 -3.758 -5.410 -1.512 1.00 0.59 H new ATOM 0 HG11 VAL A 140 -5.659 -4.951 0.071 1.00 0.64 H new ATOM 0 HG12 VAL A 140 -4.149 -4.186 0.619 1.00 0.64 H new ATOM 0 HG13 VAL A 140 -5.410 -3.204 -0.163 1.00 0.64 H new ATOM 0 HG21 VAL A 140 -6.151 -5.224 -2.262 1.00 0.65 H new ATOM 0 HG22 VAL A 140 -5.901 -3.487 -2.559 1.00 0.65 H new ATOM 0 HG23 VAL A 140 -5.021 -4.691 -3.530 1.00 0.65 H new ATOM 715 N TYR A 141 -2.200 -2.586 0.131 1.00 0.57 N ATOM 716 CA TYR A 141 -1.303 -2.497 1.282 1.00 0.52 C ATOM 717 C TYR A 141 -2.026 -2.739 2.601 1.00 0.53 C ATOM 718 O TYR A 141 -3.145 -2.271 2.810 1.00 0.62 O ATOM 719 CB TYR A 141 -0.677 -1.104 1.341 1.00 0.41 C ATOM 720 CG TYR A 141 0.218 -0.829 0.170 1.00 0.42 C ATOM 721 CD1 TYR A 141 -0.320 -0.347 -1.038 1.00 1.81 C ATOM 722 CD2 TYR A 141 1.583 -1.146 0.276 1.00 1.47 C ATOM 723 CE1 TYR A 141 0.508 -0.199 -2.152 1.00 1.85 C ATOM 724 CE2 TYR A 141 2.416 -0.993 -0.839 1.00 1.48 C ATOM 725 CZ TYR A 141 1.873 -0.563 -2.068 1.00 0.59 C ATOM 726 OH TYR A 141 2.659 -0.587 -3.174 1.00 0.77 O ATOM 0 H TYR A 141 -2.932 -1.876 0.159 1.00 0.57 H new ATOM 0 HA TYR A 141 -0.545 -3.270 1.151 1.00 0.52 H new ATOM 0 HB2 TYR A 141 -1.468 -0.355 1.374 1.00 0.41 H new ATOM 0 HB3 TYR A 141 -0.105 -1.005 2.263 1.00 0.41 H new ATOM 0 HD1 TYR A 141 -1.368 -0.093 -1.103 1.00 1.81 H new ATOM 0 HD2 TYR A 141 1.987 -1.505 1.211 1.00 1.47 H new ATOM 0 HE1 TYR A 141 0.108 0.192 -3.076 1.00 1.85 H new ATOM 0 HE2 TYR A 141 3.472 -1.204 -0.758 1.00 1.48 H new ATOM 0 HH TYR A 141 2.888 0.330 -3.432 1.00 0.77 H new ATOM 736 N LYS A 142 -1.339 -3.418 3.520 1.00 0.53 N ATOM 737 CA LYS A 142 -1.794 -3.624 4.881 1.00 0.43 C ATOM 738 C LYS A 142 -0.884 -2.947 5.904 1.00 0.44 C ATOM 739 O LYS A 142 0.331 -2.824 5.726 1.00 0.51 O ATOM 740 CB LYS A 142 -1.892 -5.127 5.174 1.00 0.47 C ATOM 741 CG LYS A 142 -3.040 -5.283 6.163 1.00 0.50 C ATOM 742 CD LYS A 142 -3.283 -6.681 6.685 1.00 0.92 C ATOM 743 CE LYS A 142 -4.557 -6.493 7.512 1.00 1.07 C ATOM 744 NZ LYS A 142 -5.291 -7.757 7.721 1.00 2.24 N ATOM 0 H LYS A 142 -0.433 -3.846 3.328 1.00 0.53 H new ATOM 0 HA LYS A 142 -2.779 -3.165 4.972 1.00 0.43 H new ATOM 0 HB2 LYS A 142 -2.083 -5.692 4.261 1.00 0.47 H new ATOM 0 HB3 LYS A 142 -0.960 -5.505 5.594 1.00 0.47 H new ATOM 0 HG2 LYS A 142 -2.852 -4.627 7.013 1.00 0.50 H new ATOM 0 HG3 LYS A 142 -3.954 -4.931 5.685 1.00 0.50 H new ATOM 0 HD2 LYS A 142 -3.423 -7.400 5.878 1.00 0.92 H new ATOM 0 HD3 LYS A 142 -2.452 -7.041 7.292 1.00 0.92 H new ATOM 0 HE2 LYS A 142 -4.297 -6.064 8.480 1.00 1.07 H new ATOM 0 HE3 LYS A 142 -5.209 -5.778 7.011 1.00 1.07 H new ATOM 0 HZ1 LYS A 142 -6.296 -7.551 7.890 1.00 2.24 H new ATOM 0 HZ2 LYS A 142 -5.198 -8.356 6.876 1.00 2.24 H new ATOM 0 HZ3 LYS A 142 -4.896 -8.256 8.544 1.00 2.24 H new ATOM 758 N LEU A 143 -1.490 -2.529 7.009 1.00 0.49 N ATOM 759 CA LEU A 143 -0.779 -2.089 8.210 1.00 0.49 C ATOM 760 C LEU A 143 -0.744 -3.217 9.242 1.00 0.50 C ATOM 761 O LEU A 143 -1.525 -4.164 9.185 1.00 0.60 O ATOM 762 CB LEU A 143 -1.452 -0.808 8.698 1.00 0.62 C ATOM 763 CG LEU A 143 -0.730 -0.024 9.804 1.00 0.65 C ATOM 764 CD1 LEU A 143 -1.143 1.428 9.617 1.00 0.58 C ATOM 765 CD2 LEU A 143 -1.140 -0.379 11.232 1.00 0.91 C ATOM 0 H LEU A 143 -2.505 -2.484 7.100 1.00 0.49 H new ATOM 0 HA LEU A 143 0.267 -1.858 8.009 1.00 0.49 H new ATOM 0 HB2 LEU A 143 -1.583 -0.146 7.842 1.00 0.62 H new ATOM 0 HB3 LEU A 143 -2.448 -1.064 9.058 1.00 0.62 H new ATOM 0 HG LEU A 143 0.333 -0.247 9.707 1.00 0.65 H new ATOM 0 HD11 LEU A 143 -0.661 2.044 10.377 1.00 0.58 H new ATOM 0 HD12 LEU A 143 -0.839 1.768 8.627 1.00 0.58 H new ATOM 0 HD13 LEU A 143 -2.225 1.514 9.713 1.00 0.58 H new ATOM 0 HD21 LEU A 143 -0.572 0.230 11.936 1.00 0.91 H new ATOM 0 HD22 LEU A 143 -2.205 -0.187 11.363 1.00 0.91 H new ATOM 0 HD23 LEU A 143 -0.936 -1.433 11.418 1.00 0.91 H new ATOM 777 N ASN A 144 0.213 -3.142 10.154 1.00 0.50 N ATOM 778 CA ASN A 144 0.442 -4.149 11.203 1.00 0.55 C ATOM 779 C ASN A 144 0.194 -3.650 12.649 1.00 0.61 C ATOM 780 O ASN A 144 0.371 -2.473 12.929 1.00 0.66 O ATOM 781 CB ASN A 144 1.867 -4.716 11.054 1.00 0.54 C ATOM 782 CG ASN A 144 2.937 -3.701 10.694 1.00 0.82 C ATOM 783 OD1 ASN A 144 2.863 -2.527 11.015 1.00 1.35 O ATOM 784 ND2 ASN A 144 3.970 -4.167 10.029 1.00 0.87 N ATOM 0 H ASN A 144 0.872 -2.365 10.194 1.00 0.50 H new ATOM 0 HA ASN A 144 -0.303 -4.930 11.052 1.00 0.55 H new ATOM 0 HB2 ASN A 144 2.148 -5.198 11.990 1.00 0.54 H new ATOM 0 HB3 ASN A 144 1.853 -5.491 10.288 1.00 0.54 H new ATOM 0 HD21 ASN A 144 4.734 -3.542 9.770 1.00 0.87 H new ATOM 0 HD22 ASN A 144 4.008 -5.153 9.772 1.00 0.87 H new ATOM 791 N PRO A 145 -0.106 -4.556 13.611 1.00 0.73 N ATOM 792 CA PRO A 145 -0.389 -4.246 15.028 1.00 0.88 C ATOM 793 C PRO A 145 0.815 -3.772 15.847 1.00 0.88 C ATOM 794 O PRO A 145 0.699 -3.493 17.036 1.00 1.21 O ATOM 795 CB PRO A 145 -0.819 -5.582 15.638 1.00 1.05 C ATOM 796 CG PRO A 145 0.061 -6.549 14.857 1.00 1.00 C ATOM 797 CD PRO A 145 -0.114 -6.004 13.447 1.00 0.86 C ATOM 0 HA PRO A 145 -1.118 -3.436 15.055 1.00 0.88 H new ATOM 0 HB2 PRO A 145 -0.631 -5.626 16.711 1.00 1.05 H new ATOM 0 HB3 PRO A 145 -1.881 -5.780 15.492 1.00 1.05 H new ATOM 0 HG2 PRO A 145 1.100 -6.523 15.186 1.00 1.00 H new ATOM 0 HG3 PRO A 145 -0.276 -7.582 14.947 1.00 1.00 H new ATOM 0 HD2 PRO A 145 0.692 -6.333 12.791 1.00 0.86 H new ATOM 0 HD3 PRO A 145 -1.048 -6.348 13.002 1.00 0.86 H new ATOM 805 N VAL A 146 1.983 -3.801 15.224 1.00 0.75 N ATOM 806 CA VAL A 146 3.259 -3.359 15.766 1.00 0.81 C ATOM 807 C VAL A 146 3.119 -2.003 16.478 1.00 1.34 C ATOM 808 O VAL A 146 2.428 -1.108 15.999 1.00 2.15 O ATOM 809 CB VAL A 146 4.327 -3.339 14.658 1.00 0.84 C ATOM 810 CG1 VAL A 146 4.156 -2.149 13.729 1.00 0.89 C ATOM 811 CG2 VAL A 146 5.741 -3.387 15.227 1.00 1.77 C ATOM 0 H VAL A 146 2.071 -4.154 14.271 1.00 0.75 H new ATOM 0 HA VAL A 146 3.589 -4.070 16.523 1.00 0.81 H new ATOM 0 HB VAL A 146 4.179 -4.244 14.068 1.00 0.84 H new ATOM 0 HG11 VAL A 146 4.930 -2.172 12.962 1.00 0.89 H new ATOM 0 HG12 VAL A 146 3.175 -2.194 13.257 1.00 0.89 H new ATOM 0 HG13 VAL A 146 4.241 -1.225 14.302 1.00 0.89 H new ATOM 0 HG21 VAL A 146 6.463 -3.371 14.410 1.00 1.77 H new ATOM 0 HG22 VAL A 146 5.903 -2.523 15.872 1.00 1.77 H new ATOM 0 HG23 VAL A 146 5.869 -4.301 15.806 1.00 1.77 H new ATOM 821 N GLY A 147 3.759 -1.842 17.636 1.00 1.28 N ATOM 822 CA GLY A 147 3.615 -0.657 18.454 1.00 1.56 C ATOM 823 C GLY A 147 4.632 -0.603 19.574 1.00 1.69 C ATOM 824 O GLY A 147 5.616 -1.332 19.614 1.00 1.75 O ATOM 0 H GLY A 147 4.393 -2.538 18.027 1.00 1.28 H new ATOM 0 HA2 GLY A 147 3.721 0.229 17.828 1.00 1.56 H new ATOM 0 HA3 GLY A 147 2.611 -0.630 18.877 1.00 1.56 H new