USER MOD reduce.3.24.130724 H: found=0, std=0, add=927, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 926 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 46 HIS : no HE2:sc= -1.49 X(o=0.23,f=0.63) USER MOD Set 1.2: A 48 THR OG1 : rot 96:sc= 1.27 USER MOD Set 1.3: A 83 HIS : no HE2:sc= 0.447 K(o=0.23,f=-2.1!) USER MOD Single : A 11 SER OG : rot 172:sc= 1.31 USER MOD Single : A 15 ASN : amide:sc= 0 K(o=0,f=-2.1!) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 150:sc= 1.23 USER MOD Single : A 24 ASN : amide:sc= 0.153 K(o=0.15,f=-1.3) USER MOD Single : A 37 THR OG1 : rot 130:sc= -0.971 USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ -171:sc= 0.982 (180deg=0.753) USER MOD Single : A 57 LYS NZ :NH3+ 153:sc= 0.341 (180deg=-0.179) USER MOD Single : A 59 MET CE :methyl 169:sc= 0 (180deg=-0.187) USER MOD Single : A 61 MET CE :methyl -173:sc=-0.00585 (180deg=-0.154) USER MOD Single : A 72 LYS NZ :NH3+ -112:sc= 0.0762! (180deg=-0.282!) USER MOD Single : A 78 LYS NZ :NH3+ 173:sc= 1.23 (180deg=1.14) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ -113:sc= 0.285 (180deg=-1.1!) USER MOD Single : A 94 LYS NZ :NH3+ -126:sc= 0.956 (180deg=-0.945!) USER MOD Single : A 109 LYS NZ :NH3+ -166:sc= 0.0328 (180deg=-0.134) USER MOD Single : A 112 LYS NZ :NH3+ 178:sc= 0.969 (180deg=0.868) USER MOD ----------------------------------------------------------------- ATOM 55 N GLU A 5 9.500 1.462 7.364 1.00 1.47 N ATOM 56 CA GLU A 5 8.653 1.183 8.543 1.00 1.83 C ATOM 57 C GLU A 5 7.145 1.218 8.210 1.00 1.62 C ATOM 58 O GLU A 5 6.402 2.153 8.514 1.00 1.91 O ATOM 59 CB GLU A 5 9.017 2.049 9.781 1.00 2.75 C ATOM 60 CG GLU A 5 9.802 3.348 9.554 1.00 3.34 C ATOM 61 CD GLU A 5 11.281 3.066 9.300 1.00 3.52 C ATOM 62 OE1 GLU A 5 12.043 2.926 10.274 1.00 4.48 O ATOM 63 OE2 GLU A 5 11.639 2.989 8.104 1.00 3.73 O ATOM 0 HA GLU A 5 8.879 0.157 8.832 1.00 1.83 H new ATOM 0 HB2 GLU A 5 8.089 2.306 10.291 1.00 2.75 H new ATOM 0 HB3 GLU A 5 9.595 1.426 10.464 1.00 2.75 H new ATOM 0 HG2 GLU A 5 9.381 3.886 8.704 1.00 3.34 H new ATOM 0 HG3 GLU A 5 9.697 3.995 10.425 1.00 3.34 H new ATOM 70 N GLY A 6 6.694 0.169 7.519 1.00 1.35 N ATOM 71 CA GLY A 6 5.301 -0.092 7.156 1.00 1.23 C ATOM 72 C GLY A 6 4.897 -1.535 7.446 1.00 0.94 C ATOM 73 O GLY A 6 5.704 -2.326 7.936 1.00 1.13 O ATOM 0 H GLY A 6 7.324 -0.558 7.180 1.00 1.35 H new ATOM 0 HA2 GLY A 6 4.649 0.585 7.708 1.00 1.23 H new ATOM 0 HA3 GLY A 6 5.156 0.119 6.097 1.00 1.23 H new ATOM 77 N TRP A 7 3.651 -1.889 7.126 1.00 0.79 N ATOM 78 CA TRP A 7 3.128 -3.230 7.394 1.00 0.70 C ATOM 79 C TRP A 7 2.078 -3.707 6.380 1.00 0.66 C ATOM 80 O TRP A 7 1.305 -2.924 5.824 1.00 0.65 O ATOM 81 CB TRP A 7 2.585 -3.295 8.828 1.00 0.96 C ATOM 82 CG TRP A 7 1.449 -2.366 9.118 1.00 1.06 C ATOM 83 CD1 TRP A 7 0.143 -2.708 9.122 1.00 1.30 C ATOM 84 CD2 TRP A 7 1.488 -0.938 9.426 1.00 1.31 C ATOM 85 NE1 TRP A 7 -0.626 -1.594 9.369 1.00 1.57 N ATOM 86 CE2 TRP A 7 0.148 -0.470 9.562 1.00 1.58 C ATOM 87 CE3 TRP A 7 2.518 0.010 9.617 1.00 1.63 C ATOM 88 CZ2 TRP A 7 -0.155 0.866 9.864 1.00 1.98 C ATOM 89 CZ3 TRP A 7 2.228 1.357 9.902 1.00 2.09 C ATOM 90 CH2 TRP A 7 0.896 1.787 10.028 1.00 2.21 C ATOM 0 H TRP A 7 2.982 -1.262 6.679 1.00 0.79 H new ATOM 0 HA TRP A 7 3.963 -3.921 7.282 1.00 0.70 H new ATOM 0 HB2 TRP A 7 2.261 -4.316 9.031 1.00 0.96 H new ATOM 0 HB3 TRP A 7 3.399 -3.076 9.519 1.00 0.96 H new ATOM 0 HD1 TRP A 7 -0.240 -3.704 8.957 1.00 1.30 H new ATOM 0 HE1 TRP A 7 -1.645 -1.599 9.405 1.00 1.57 H new ATOM 0 HE3 TRP A 7 3.548 -0.305 9.543 1.00 1.63 H new ATOM 0 HZ2 TRP A 7 -1.182 1.184 9.969 1.00 1.98 H new ATOM 0 HZ3 TRP A 7 3.034 2.065 10.025 1.00 2.09 H new ATOM 0 HH2 TRP A 7 0.680 2.822 10.250 1.00 2.21 H new ATOM 101 N VAL A 8 2.040 -5.020 6.157 1.00 0.96 N ATOM 102 CA VAL A 8 0.904 -5.694 5.507 1.00 1.11 C ATOM 103 C VAL A 8 -0.180 -5.851 6.573 1.00 1.21 C ATOM 104 O VAL A 8 0.125 -6.242 7.697 1.00 1.34 O ATOM 105 CB VAL A 8 1.301 -7.056 4.896 1.00 1.17 C ATOM 106 CG1 VAL A 8 0.081 -7.800 4.320 1.00 1.29 C ATOM 107 CG2 VAL A 8 2.339 -6.860 3.781 1.00 1.21 C ATOM 0 H VAL A 8 2.795 -5.653 6.421 1.00 0.96 H new ATOM 0 HA VAL A 8 0.543 -5.099 4.668 1.00 1.11 H new ATOM 0 HB VAL A 8 1.727 -7.657 5.700 1.00 1.17 H new ATOM 0 HG11 VAL A 8 0.401 -8.753 3.900 1.00 1.29 H new ATOM 0 HG12 VAL A 8 -0.644 -7.979 5.114 1.00 1.29 H new ATOM 0 HG13 VAL A 8 -0.379 -7.195 3.539 1.00 1.29 H new ATOM 0 HG21 VAL A 8 2.609 -7.829 3.360 1.00 1.21 H new ATOM 0 HG22 VAL A 8 1.918 -6.229 2.998 1.00 1.21 H new ATOM 0 HG23 VAL A 8 3.229 -6.383 4.192 1.00 1.21 H new ATOM 117 N ARG A 9 -1.428 -5.513 6.237 1.00 1.32 N ATOM 118 CA ARG A 9 -2.476 -5.172 7.211 1.00 1.42 C ATOM 119 C ARG A 9 -2.965 -6.335 8.097 1.00 1.25 C ATOM 120 O ARG A 9 -3.617 -6.081 9.108 1.00 2.34 O ATOM 121 CB ARG A 9 -3.622 -4.514 6.418 1.00 1.80 C ATOM 122 CG ARG A 9 -4.622 -3.722 7.259 1.00 1.75 C ATOM 123 CD ARG A 9 -5.846 -4.512 7.720 1.00 2.37 C ATOM 124 NE ARG A 9 -6.360 -3.920 8.951 1.00 2.58 N ATOM 125 CZ ARG A 9 -7.415 -4.282 9.656 1.00 3.37 C ATOM 126 NH1 ARG A 9 -8.231 -5.242 9.267 1.00 4.22 N ATOM 127 NH2 ARG A 9 -7.609 -3.651 10.789 1.00 3.95 N ATOM 0 H ARG A 9 -1.746 -5.467 5.269 1.00 1.32 H new ATOM 0 HA ARG A 9 -2.051 -4.489 7.946 1.00 1.42 H new ATOM 0 HB2 ARG A 9 -3.190 -3.847 5.672 1.00 1.80 H new ATOM 0 HB3 ARG A 9 -4.161 -5.291 5.877 1.00 1.80 H new ATOM 0 HG2 ARG A 9 -4.107 -3.333 8.138 1.00 1.75 H new ATOM 0 HG3 ARG A 9 -4.960 -2.862 6.681 1.00 1.75 H new ATOM 0 HD2 ARG A 9 -6.615 -4.500 6.947 1.00 2.37 H new ATOM 0 HD3 ARG A 9 -5.579 -5.555 7.887 1.00 2.37 H new ATOM 0 HE ARG A 9 -5.836 -3.123 9.313 1.00 2.58 H new ATOM 0 HH11 ARG A 9 -8.057 -5.735 8.391 1.00 4.22 H new ATOM 0 HH12 ARG A 9 -9.036 -5.491 9.842 1.00 4.22 H new ATOM 0 HH21 ARG A 9 -6.960 -2.922 11.084 1.00 3.95 H new ATOM 0 HH22 ARG A 9 -8.409 -3.890 11.375 1.00 3.95 H new ATOM 141 N PHE A 10 -2.713 -7.585 7.685 1.00 1.43 N ATOM 142 CA PHE A 10 -3.168 -8.845 8.297 1.00 1.31 C ATOM 143 C PHE A 10 -4.652 -9.152 7.988 1.00 0.98 C ATOM 144 O PHE A 10 -5.472 -8.261 7.774 1.00 1.15 O ATOM 145 CB PHE A 10 -2.838 -8.919 9.807 1.00 1.74 C ATOM 146 CG PHE A 10 -3.241 -10.224 10.465 1.00 1.91 C ATOM 147 CD1 PHE A 10 -2.775 -11.448 9.950 1.00 2.97 C ATOM 148 CD2 PHE A 10 -4.169 -10.226 11.525 1.00 1.94 C ATOM 149 CE1 PHE A 10 -3.274 -12.659 10.460 1.00 3.03 C ATOM 150 CE2 PHE A 10 -4.631 -11.440 12.066 1.00 2.14 C ATOM 151 CZ PHE A 10 -4.191 -12.658 11.523 1.00 2.21 C ATOM 0 H PHE A 10 -2.145 -7.757 6.855 1.00 1.43 H new ATOM 0 HA PHE A 10 -2.595 -9.643 7.825 1.00 1.31 H new ATOM 0 HB2 PHE A 10 -1.766 -8.772 9.941 1.00 1.74 H new ATOM 0 HB3 PHE A 10 -3.339 -8.097 10.318 1.00 1.74 H new ATOM 0 HD1 PHE A 10 -2.035 -11.457 9.164 1.00 2.97 H new ATOM 0 HD2 PHE A 10 -4.528 -9.289 11.925 1.00 1.94 H new ATOM 0 HE1 PHE A 10 -2.950 -13.596 10.032 1.00 3.03 H new ATOM 0 HE2 PHE A 10 -5.322 -11.435 12.896 1.00 2.14 H new ATOM 0 HZ PHE A 10 -4.557 -13.592 11.922 1.00 2.21 H new ATOM 161 N SER A 11 -4.981 -10.445 7.960 1.00 0.80 N ATOM 162 CA SER A 11 -6.260 -11.081 7.609 1.00 0.87 C ATOM 163 C SER A 11 -6.067 -12.616 7.615 1.00 1.03 C ATOM 164 O SER A 11 -4.915 -13.050 7.523 1.00 1.39 O ATOM 165 CB SER A 11 -6.721 -10.621 6.216 1.00 1.05 C ATOM 166 OG SER A 11 -8.022 -11.075 5.933 1.00 2.09 O ATOM 0 H SER A 11 -4.287 -11.150 8.208 1.00 0.80 H new ATOM 0 HA SER A 11 -7.021 -10.796 8.336 1.00 0.87 H new ATOM 0 HB2 SER A 11 -6.694 -9.533 6.162 1.00 1.05 H new ATOM 0 HB3 SER A 11 -6.030 -10.995 5.460 1.00 1.05 H new ATOM 0 HG SER A 11 -8.338 -10.665 5.101 1.00 2.09 H new ATOM 172 N PRO A 12 -7.128 -13.444 7.699 1.00 1.01 N ATOM 173 CA PRO A 12 -7.077 -14.846 7.274 1.00 1.10 C ATOM 174 C PRO A 12 -7.206 -15.011 5.750 1.00 1.01 C ATOM 175 O PRO A 12 -6.757 -16.008 5.189 1.00 1.13 O ATOM 176 CB PRO A 12 -8.268 -15.492 7.982 1.00 1.25 C ATOM 177 CG PRO A 12 -9.298 -14.368 8.081 1.00 1.20 C ATOM 178 CD PRO A 12 -8.421 -13.136 8.302 1.00 1.10 C ATOM 0 HA PRO A 12 -6.119 -15.301 7.527 1.00 1.10 H new ATOM 0 HB2 PRO A 12 -8.656 -16.339 7.417 1.00 1.25 H new ATOM 0 HB3 PRO A 12 -7.991 -15.866 8.967 1.00 1.25 H new ATOM 0 HG2 PRO A 12 -9.895 -14.284 7.173 1.00 1.20 H new ATOM 0 HG3 PRO A 12 -9.993 -14.525 8.906 1.00 1.20 H new ATOM 0 HD2 PRO A 12 -8.865 -12.254 7.841 1.00 1.10 H new ATOM 0 HD3 PRO A 12 -8.313 -12.920 9.365 1.00 1.10 H new ATOM 186 N GLY A 13 -7.835 -14.035 5.089 1.00 0.92 N ATOM 187 CA GLY A 13 -8.270 -14.076 3.690 1.00 0.92 C ATOM 188 C GLY A 13 -9.797 -13.958 3.546 1.00 0.96 C ATOM 189 O GLY A 13 -10.490 -13.779 4.549 1.00 1.00 O ATOM 0 H GLY A 13 -8.066 -13.149 5.539 1.00 0.92 H new ATOM 0 HA2 GLY A 13 -7.792 -13.265 3.140 1.00 0.92 H new ATOM 0 HA3 GLY A 13 -7.936 -15.009 3.236 1.00 0.92 H new ATOM 193 N PRO A 14 -10.345 -14.013 2.313 1.00 1.05 N ATOM 194 CA PRO A 14 -9.642 -14.135 1.031 1.00 1.04 C ATOM 195 C PRO A 14 -8.986 -12.820 0.569 1.00 0.82 C ATOM 196 O PRO A 14 -8.343 -12.795 -0.483 1.00 0.81 O ATOM 197 CB PRO A 14 -10.726 -14.585 0.047 1.00 1.30 C ATOM 198 CG PRO A 14 -11.978 -13.884 0.574 1.00 1.36 C ATOM 199 CD PRO A 14 -11.782 -13.944 2.088 1.00 1.26 C ATOM 0 HA PRO A 14 -8.811 -14.837 1.106 1.00 1.04 H new ATOM 0 HB2 PRO A 14 -10.494 -14.284 -0.975 1.00 1.30 H new ATOM 0 HB3 PRO A 14 -10.842 -15.669 0.041 1.00 1.30 H new ATOM 0 HG2 PRO A 14 -12.049 -12.857 0.215 1.00 1.36 H new ATOM 0 HG3 PRO A 14 -12.890 -14.394 0.263 1.00 1.36 H new ATOM 0 HD2 PRO A 14 -12.209 -13.065 2.570 1.00 1.26 H new ATOM 0 HD3 PRO A 14 -12.284 -14.815 2.511 1.00 1.26 H new ATOM 207 N ASN A 15 -9.124 -11.737 1.344 1.00 0.74 N ATOM 208 CA ASN A 15 -8.552 -10.425 1.070 1.00 0.63 C ATOM 209 C ASN A 15 -7.900 -9.777 2.306 1.00 0.56 C ATOM 210 O ASN A 15 -8.085 -10.190 3.450 1.00 0.80 O ATOM 211 CB ASN A 15 -9.640 -9.506 0.494 1.00 0.95 C ATOM 212 CG ASN A 15 -10.684 -9.061 1.518 1.00 1.43 C ATOM 213 OD1 ASN A 15 -11.058 -9.783 2.431 1.00 2.19 O ATOM 214 ND2 ASN A 15 -11.171 -7.841 1.401 1.00 1.84 N ATOM 0 H ASN A 15 -9.659 -11.758 2.212 1.00 0.74 H new ATOM 0 HA ASN A 15 -7.752 -10.565 0.343 1.00 0.63 H new ATOM 0 HB2 ASN A 15 -9.166 -8.623 0.066 1.00 0.95 H new ATOM 0 HB3 ASN A 15 -10.144 -10.024 -0.322 1.00 0.95 H new ATOM 0 HD21 ASN A 15 -11.859 -7.500 2.072 1.00 1.84 H new ATOM 0 HD22 ASN A 15 -10.859 -7.238 0.639 1.00 1.84 H new ATOM 221 N ALA A 16 -7.139 -8.724 2.026 1.00 0.52 N ATOM 222 CA ALA A 16 -6.306 -7.919 2.923 1.00 0.45 C ATOM 223 C ALA A 16 -6.067 -6.500 2.351 1.00 0.46 C ATOM 224 O ALA A 16 -6.642 -6.119 1.333 1.00 0.56 O ATOM 225 CB ALA A 16 -4.997 -8.688 3.184 1.00 0.46 C ATOM 0 H ALA A 16 -7.082 -8.375 1.069 1.00 0.52 H new ATOM 0 HA ALA A 16 -6.816 -7.764 3.874 1.00 0.45 H new ATOM 0 HB1 ALA A 16 -4.360 -8.107 3.851 1.00 0.46 H new ATOM 0 HB2 ALA A 16 -5.225 -9.648 3.646 1.00 0.46 H new ATOM 0 HB3 ALA A 16 -4.478 -8.854 2.240 1.00 0.46 H new ATOM 231 N ALA A 17 -5.223 -5.713 3.020 1.00 0.43 N ATOM 232 CA ALA A 17 -4.685 -4.428 2.564 1.00 0.43 C ATOM 233 C ALA A 17 -3.186 -4.357 2.930 1.00 0.53 C ATOM 234 O ALA A 17 -2.684 -5.249 3.622 1.00 0.96 O ATOM 235 CB ALA A 17 -5.499 -3.298 3.217 1.00 0.46 C ATOM 0 H ALA A 17 -4.877 -5.968 3.945 1.00 0.43 H new ATOM 0 HA ALA A 17 -4.768 -4.321 1.482 1.00 0.43 H new ATOM 0 HB1 ALA A 17 -5.112 -2.334 2.888 1.00 0.46 H new ATOM 0 HB2 ALA A 17 -6.545 -3.388 2.925 1.00 0.46 H new ATOM 0 HB3 ALA A 17 -5.418 -3.371 4.302 1.00 0.46 H new ATOM 241 N ALA A 18 -2.472 -3.307 2.529 1.00 0.47 N ATOM 242 CA ALA A 18 -1.111 -3.032 2.989 1.00 0.51 C ATOM 243 C ALA A 18 -0.858 -1.527 3.139 1.00 0.58 C ATOM 244 O ALA A 18 -1.088 -0.744 2.213 1.00 0.51 O ATOM 245 CB ALA A 18 -0.106 -3.700 2.043 1.00 0.59 C ATOM 0 H ALA A 18 -2.826 -2.615 1.868 1.00 0.47 H new ATOM 0 HA ALA A 18 -0.980 -3.459 3.983 1.00 0.51 H new ATOM 0 HB1 ALA A 18 0.908 -3.495 2.386 1.00 0.59 H new ATOM 0 HB2 ALA A 18 -0.275 -4.777 2.034 1.00 0.59 H new ATOM 0 HB3 ALA A 18 -0.236 -3.304 1.036 1.00 0.59 H new ATOM 251 N TYR A 19 -0.356 -1.151 4.312 1.00 0.89 N ATOM 252 CA TYR A 19 0.044 0.203 4.690 1.00 0.94 C ATOM 253 C TYR A 19 1.578 0.270 4.790 1.00 1.04 C ATOM 254 O TYR A 19 2.161 0.359 5.869 1.00 1.49 O ATOM 255 CB TYR A 19 -0.653 0.570 6.009 1.00 1.06 C ATOM 256 CG TYR A 19 -2.171 0.606 5.936 1.00 1.14 C ATOM 257 CD1 TYR A 19 -2.803 1.504 5.055 1.00 2.17 C ATOM 258 CD2 TYR A 19 -2.953 -0.210 6.780 1.00 2.02 C ATOM 259 CE1 TYR A 19 -4.207 1.618 5.043 1.00 2.51 C ATOM 260 CE2 TYR A 19 -4.358 -0.112 6.759 1.00 2.05 C ATOM 261 CZ TYR A 19 -4.990 0.808 5.894 1.00 1.72 C ATOM 262 OH TYR A 19 -6.342 0.950 5.900 1.00 2.10 O ATOM 0 H TYR A 19 -0.209 -1.820 5.068 1.00 0.89 H new ATOM 0 HA TYR A 19 -0.261 0.931 3.938 1.00 0.94 H new ATOM 0 HB2 TYR A 19 -0.356 -0.148 6.773 1.00 1.06 H new ATOM 0 HB3 TYR A 19 -0.295 1.547 6.334 1.00 1.06 H new ATOM 0 HD1 TYR A 19 -2.209 2.108 4.385 1.00 2.17 H new ATOM 0 HD2 TYR A 19 -2.473 -0.913 7.445 1.00 2.02 H new ATOM 0 HE1 TYR A 19 -4.685 2.326 4.382 1.00 2.51 H new ATOM 0 HE2 TYR A 19 -4.952 -0.741 7.405 1.00 2.05 H new ATOM 0 HH TYR A 19 -6.734 0.319 6.539 1.00 2.10 H new ATOM 272 N LEU A 20 2.244 0.178 3.634 1.00 1.10 N ATOM 273 CA LEU A 20 3.706 0.177 3.538 1.00 1.18 C ATOM 274 C LEU A 20 4.311 1.586 3.647 1.00 1.21 C ATOM 275 O LEU A 20 3.653 2.587 3.348 1.00 1.19 O ATOM 276 CB LEU A 20 4.144 -0.582 2.270 1.00 1.19 C ATOM 277 CG LEU A 20 3.899 0.164 0.940 1.00 1.11 C ATOM 278 CD1 LEU A 20 5.120 0.989 0.494 1.00 1.76 C ATOM 279 CD2 LEU A 20 3.536 -0.846 -0.156 1.00 1.32 C ATOM 0 H LEU A 20 1.778 0.101 2.730 1.00 1.10 H new ATOM 0 HA LEU A 20 4.108 -0.356 4.399 1.00 1.18 H new ATOM 0 HB2 LEU A 20 5.207 -0.809 2.351 1.00 1.19 H new ATOM 0 HB3 LEU A 20 3.617 -1.535 2.236 1.00 1.19 H new ATOM 0 HG LEU A 20 3.077 0.860 1.104 1.00 1.11 H new ATOM 0 HD11 LEU A 20 4.895 1.493 -0.446 1.00 1.76 H new ATOM 0 HD12 LEU A 20 5.356 1.731 1.257 1.00 1.76 H new ATOM 0 HD13 LEU A 20 5.975 0.327 0.355 1.00 1.76 H new ATOM 0 HD21 LEU A 20 3.363 -0.319 -1.094 1.00 1.32 H new ATOM 0 HD22 LEU A 20 4.354 -1.555 -0.283 1.00 1.32 H new ATOM 0 HD23 LEU A 20 2.632 -1.384 0.130 1.00 1.32 H new ATOM 291 N THR A 21 5.598 1.629 4.011 1.00 1.36 N ATOM 292 CA THR A 21 6.453 2.821 4.032 1.00 1.45 C ATOM 293 C THR A 21 7.617 2.613 3.083 1.00 1.75 C ATOM 294 O THR A 21 8.196 1.532 3.028 1.00 2.10 O ATOM 295 CB THR A 21 6.956 3.067 5.451 1.00 1.79 C ATOM 296 OG1 THR A 21 5.838 3.466 6.202 1.00 2.03 O ATOM 297 CG2 THR A 21 8.047 4.130 5.598 1.00 2.05 C ATOM 0 H THR A 21 6.096 0.792 4.314 1.00 1.36 H new ATOM 0 HA THR A 21 5.884 3.693 3.711 1.00 1.45 H new ATOM 0 HB THR A 21 7.423 2.142 5.790 1.00 1.79 H new ATOM 0 HG1 THR A 21 5.953 3.187 7.134 1.00 2.03 H new ATOM 0 HG21 THR A 21 8.328 4.221 6.647 1.00 2.05 H new ATOM 0 HG22 THR A 21 8.919 3.839 5.013 1.00 2.05 H new ATOM 0 HG23 THR A 21 7.672 5.088 5.239 1.00 2.05 H new ATOM 305 N LEU A 22 7.970 3.676 2.369 1.00 1.81 N ATOM 306 CA LEU A 22 9.116 3.765 1.473 1.00 2.29 C ATOM 307 C LEU A 22 9.529 5.241 1.341 1.00 1.76 C ATOM 308 O LEU A 22 8.924 6.134 1.941 1.00 1.87 O ATOM 309 CB LEU A 22 8.746 3.047 0.150 1.00 3.04 C ATOM 310 CG LEU A 22 9.829 2.946 -0.945 1.00 3.61 C ATOM 311 CD1 LEU A 22 11.125 2.302 -0.435 1.00 4.63 C ATOM 312 CD2 LEU A 22 9.264 2.146 -2.118 1.00 3.71 C ATOM 0 H LEU A 22 7.436 4.544 2.402 1.00 1.81 H new ATOM 0 HA LEU A 22 10.002 3.256 1.853 1.00 2.29 H new ATOM 0 HB2 LEU A 22 8.425 2.035 0.397 1.00 3.04 H new ATOM 0 HB3 LEU A 22 7.884 3.559 -0.278 1.00 3.04 H new ATOM 0 HG LEU A 22 10.090 3.956 -1.261 1.00 3.61 H new ATOM 0 HD11 LEU A 22 11.852 2.256 -1.246 1.00 4.63 H new ATOM 0 HD12 LEU A 22 11.530 2.898 0.382 1.00 4.63 H new ATOM 0 HD13 LEU A 22 10.915 1.294 -0.079 1.00 4.63 H new ATOM 0 HD21 LEU A 22 10.018 2.066 -2.901 1.00 3.71 H new ATOM 0 HD22 LEU A 22 8.987 1.148 -1.778 1.00 3.71 H new ATOM 0 HD23 LEU A 22 8.383 2.652 -2.513 1.00 3.71 H new ATOM 324 N GLU A 23 10.574 5.531 0.579 1.00 1.42 N ATOM 325 CA GLU A 23 11.217 6.829 0.461 1.00 1.33 C ATOM 326 C GLU A 23 11.978 6.858 -0.868 1.00 1.35 C ATOM 327 O GLU A 23 12.418 5.807 -1.341 1.00 1.73 O ATOM 328 CB GLU A 23 12.123 6.973 1.686 1.00 1.89 C ATOM 329 CG GLU A 23 12.643 8.374 1.984 1.00 3.18 C ATOM 330 CD GLU A 23 13.306 8.308 3.355 1.00 3.82 C ATOM 331 OE1 GLU A 23 14.435 7.777 3.408 1.00 4.07 O ATOM 332 OE2 GLU A 23 12.621 8.615 4.356 1.00 4.64 O ATOM 0 H GLU A 23 11.020 4.825 -0.006 1.00 1.42 H new ATOM 0 HA GLU A 23 10.522 7.668 0.446 1.00 1.33 H new ATOM 0 HB2 GLU A 23 11.575 6.619 2.559 1.00 1.89 H new ATOM 0 HB3 GLU A 23 12.979 6.311 1.557 1.00 1.89 H new ATOM 0 HG2 GLU A 23 13.356 8.693 1.224 1.00 3.18 H new ATOM 0 HG3 GLU A 23 11.829 9.099 1.982 1.00 3.18 H new ATOM 339 N ASN A 24 12.110 8.036 -1.480 1.00 1.11 N ATOM 340 CA ASN A 24 12.769 8.240 -2.765 1.00 1.09 C ATOM 341 C ASN A 24 14.137 8.920 -2.561 1.00 1.11 C ATOM 342 O ASN A 24 14.210 10.146 -2.611 1.00 0.96 O ATOM 343 CB ASN A 24 11.849 9.095 -3.655 1.00 0.99 C ATOM 344 CG ASN A 24 12.355 9.164 -5.093 1.00 1.06 C ATOM 345 OD1 ASN A 24 13.183 8.375 -5.529 1.00 1.69 O ATOM 346 ND2 ASN A 24 11.868 10.105 -5.869 1.00 0.99 N ATOM 0 H ASN A 24 11.748 8.901 -1.079 1.00 1.11 H new ATOM 0 HA ASN A 24 12.950 7.282 -3.252 1.00 1.09 H new ATOM 0 HB2 ASN A 24 10.842 8.678 -3.644 1.00 0.99 H new ATOM 0 HB3 ASN A 24 11.781 10.103 -3.245 1.00 0.99 H new ATOM 0 HD21 ASN A 24 12.180 10.180 -6.837 1.00 0.99 H new ATOM 0 HD22 ASN A 24 11.178 10.761 -5.503 1.00 0.99 H new ATOM 353 N PRO A 25 15.229 8.173 -2.322 1.00 1.48 N ATOM 354 CA PRO A 25 16.550 8.760 -2.102 1.00 1.63 C ATOM 355 C PRO A 25 17.191 9.358 -3.366 1.00 1.56 C ATOM 356 O PRO A 25 18.186 10.073 -3.247 1.00 1.66 O ATOM 357 CB PRO A 25 17.399 7.617 -1.529 1.00 2.05 C ATOM 358 CG PRO A 25 16.747 6.369 -2.128 1.00 2.18 C ATOM 359 CD PRO A 25 15.271 6.737 -2.106 1.00 1.89 C ATOM 0 HA PRO A 25 16.475 9.613 -1.428 1.00 1.63 H new ATOM 0 HB2 PRO A 25 18.445 7.706 -1.822 1.00 2.05 H new ATOM 0 HB3 PRO A 25 17.373 7.602 -0.439 1.00 2.05 H new ATOM 0 HG2 PRO A 25 17.102 6.169 -3.139 1.00 2.18 H new ATOM 0 HG3 PRO A 25 16.953 5.477 -1.536 1.00 2.18 H new ATOM 0 HD2 PRO A 25 14.722 6.206 -2.884 1.00 1.89 H new ATOM 0 HD3 PRO A 25 14.813 6.469 -1.154 1.00 1.89 H new ATOM 367 N GLY A 26 16.644 9.102 -4.561 1.00 1.47 N ATOM 368 CA GLY A 26 17.139 9.646 -5.818 1.00 1.47 C ATOM 369 C GLY A 26 16.642 11.060 -6.093 1.00 1.25 C ATOM 370 O GLY A 26 15.844 11.643 -5.365 1.00 1.44 O ATOM 0 H GLY A 26 15.830 8.499 -4.676 1.00 1.47 H new ATOM 0 HA2 GLY A 26 18.229 9.647 -5.803 1.00 1.47 H new ATOM 0 HA3 GLY A 26 16.832 8.994 -6.636 1.00 1.47 H new ATOM 374 N ASP A 27 17.182 11.602 -7.176 1.00 1.27 N ATOM 375 CA ASP A 27 17.133 13.006 -7.580 1.00 1.52 C ATOM 376 C ASP A 27 16.095 13.272 -8.683 1.00 1.43 C ATOM 377 O ASP A 27 15.853 14.407 -9.084 1.00 1.63 O ATOM 378 CB ASP A 27 18.558 13.334 -8.036 1.00 1.91 C ATOM 379 CG ASP A 27 19.516 13.294 -6.842 1.00 2.43 C ATOM 380 OD1 ASP A 27 19.948 12.179 -6.472 1.00 2.84 O ATOM 381 OD2 ASP A 27 19.669 14.321 -6.148 1.00 3.27 O ATOM 0 H ASP A 27 17.703 11.035 -7.844 1.00 1.27 H new ATOM 0 HA ASP A 27 16.811 13.645 -6.757 1.00 1.52 H new ATOM 0 HB2 ASP A 27 18.879 12.619 -8.794 1.00 1.91 H new ATOM 0 HB3 ASP A 27 18.582 14.321 -8.498 1.00 1.91 H new ATOM 386 N LEU A 28 15.434 12.203 -9.125 1.00 1.21 N ATOM 387 CA LEU A 28 14.301 12.197 -10.044 1.00 1.15 C ATOM 388 C LEU A 28 13.084 11.526 -9.366 1.00 1.08 C ATOM 389 O LEU A 28 13.259 10.740 -8.428 1.00 1.09 O ATOM 390 CB LEU A 28 14.729 11.464 -11.326 1.00 1.27 C ATOM 391 CG LEU A 28 15.876 12.136 -12.114 1.00 2.17 C ATOM 392 CD1 LEU A 28 16.294 11.216 -13.271 1.00 3.17 C ATOM 393 CD2 LEU A 28 15.462 13.505 -12.680 1.00 3.33 C ATOM 0 H LEU A 28 15.693 11.261 -8.832 1.00 1.21 H new ATOM 0 HA LEU A 28 14.001 13.212 -10.307 1.00 1.15 H new ATOM 0 HB2 LEU A 28 15.035 10.452 -11.062 1.00 1.27 H new ATOM 0 HB3 LEU A 28 13.863 11.375 -11.981 1.00 1.27 H new ATOM 0 HG LEU A 28 16.707 12.298 -11.427 1.00 2.17 H new ATOM 0 HD11 LEU A 28 17.103 11.683 -13.833 1.00 3.17 H new ATOM 0 HD12 LEU A 28 16.633 10.260 -12.872 1.00 3.17 H new ATOM 0 HD13 LEU A 28 15.442 11.051 -13.931 1.00 3.17 H new ATOM 0 HD21 LEU A 28 16.299 13.941 -13.226 1.00 3.33 H new ATOM 0 HD22 LEU A 28 14.615 13.379 -13.354 1.00 3.33 H new ATOM 0 HD23 LEU A 28 15.179 14.167 -11.861 1.00 3.33 H new ATOM 405 N PRO A 29 11.851 11.818 -9.811 1.00 1.07 N ATOM 406 CA PRO A 29 10.648 11.553 -9.037 1.00 0.99 C ATOM 407 C PRO A 29 10.212 10.083 -9.127 1.00 1.09 C ATOM 408 O PRO A 29 10.720 9.298 -9.942 1.00 1.54 O ATOM 409 CB PRO A 29 9.595 12.516 -9.594 1.00 0.98 C ATOM 410 CG PRO A 29 10.007 12.704 -11.054 1.00 1.11 C ATOM 411 CD PRO A 29 11.523 12.489 -11.057 1.00 1.17 C ATOM 0 HA PRO A 29 10.809 11.716 -7.971 1.00 0.99 H new ATOM 0 HB2 PRO A 29 8.590 12.101 -9.512 1.00 0.98 H new ATOM 0 HB3 PRO A 29 9.593 13.463 -9.054 1.00 0.98 H new ATOM 0 HG2 PRO A 29 9.504 11.988 -11.704 1.00 1.11 H new ATOM 0 HG3 PRO A 29 9.747 13.699 -11.415 1.00 1.11 H new ATOM 0 HD2 PRO A 29 11.827 11.886 -11.913 1.00 1.17 H new ATOM 0 HD3 PRO A 29 12.049 13.441 -11.134 1.00 1.17 H new ATOM 419 N LEU A 30 9.237 9.731 -8.284 1.00 0.89 N ATOM 420 CA LEU A 30 8.484 8.482 -8.366 1.00 0.95 C ATOM 421 C LEU A 30 7.004 8.742 -8.598 1.00 0.78 C ATOM 422 O LEU A 30 6.391 9.646 -8.038 1.00 0.81 O ATOM 423 CB LEU A 30 8.632 7.635 -7.090 1.00 1.23 C ATOM 424 CG LEU A 30 10.021 7.008 -6.953 1.00 1.47 C ATOM 425 CD1 LEU A 30 10.205 6.420 -5.548 1.00 2.87 C ATOM 426 CD2 LEU A 30 10.334 5.908 -7.970 1.00 1.71 C ATOM 0 H LEU A 30 8.944 10.324 -7.507 1.00 0.89 H new ATOM 0 HA LEU A 30 8.901 7.934 -9.211 1.00 0.95 H new ATOM 0 HB2 LEU A 30 8.433 8.260 -6.219 1.00 1.23 H new ATOM 0 HB3 LEU A 30 7.881 6.845 -7.094 1.00 1.23 H new ATOM 0 HG LEU A 30 10.712 7.829 -7.145 1.00 1.47 H new ATOM 0 HD11 LEU A 30 11.198 5.978 -5.466 1.00 2.87 H new ATOM 0 HD12 LEU A 30 10.098 7.211 -4.806 1.00 2.87 H new ATOM 0 HD13 LEU A 30 9.450 5.653 -5.373 1.00 2.87 H new ATOM 0 HD21 LEU A 30 11.339 5.525 -7.794 1.00 1.71 H new ATOM 0 HD22 LEU A 30 9.613 5.098 -7.863 1.00 1.71 H new ATOM 0 HD23 LEU A 30 10.273 6.317 -8.979 1.00 1.71 H new ATOM 438 N ARG A 31 6.451 7.797 -9.344 1.00 0.72 N ATOM 439 CA ARG A 31 5.014 7.637 -9.576 1.00 0.66 C ATOM 440 C ARG A 31 4.643 6.169 -9.442 1.00 0.63 C ATOM 441 O ARG A 31 5.080 5.369 -10.268 1.00 0.61 O ATOM 442 CB ARG A 31 4.623 8.150 -10.969 1.00 0.64 C ATOM 443 CG ARG A 31 3.091 8.228 -11.081 1.00 0.70 C ATOM 444 CD ARG A 31 2.612 8.928 -12.354 1.00 0.64 C ATOM 445 NE ARG A 31 2.868 10.374 -12.295 1.00 1.16 N ATOM 446 CZ ARG A 31 2.504 11.281 -13.188 1.00 1.48 C ATOM 447 NH1 ARG A 31 1.857 10.954 -14.290 1.00 2.09 N ATOM 448 NH2 ARG A 31 2.790 12.542 -12.983 1.00 2.13 N ATOM 0 H ARG A 31 7.008 7.091 -9.825 1.00 0.72 H new ATOM 0 HA ARG A 31 4.472 8.223 -8.834 1.00 0.66 H new ATOM 0 HB2 ARG A 31 5.060 9.133 -11.141 1.00 0.64 H new ATOM 0 HB3 ARG A 31 5.020 7.486 -11.737 1.00 0.64 H new ATOM 0 HG2 ARG A 31 2.680 7.219 -11.053 1.00 0.70 H new ATOM 0 HG3 ARG A 31 2.697 8.757 -10.213 1.00 0.70 H new ATOM 0 HD2 ARG A 31 3.119 8.501 -13.219 1.00 0.64 H new ATOM 0 HD3 ARG A 31 1.545 8.750 -12.490 1.00 0.64 H new ATOM 0 HE ARG A 31 3.380 10.714 -11.481 1.00 1.16 H new ATOM 0 HH11 ARG A 31 1.623 9.978 -14.474 1.00 2.09 H new ATOM 0 HH12 ARG A 31 1.590 11.677 -14.958 1.00 2.09 H new ATOM 0 HH21 ARG A 31 3.291 12.821 -12.139 1.00 2.13 H new ATOM 0 HH22 ARG A 31 2.512 13.246 -13.667 1.00 2.13 H new ATOM 462 N LEU A 32 3.902 5.803 -8.402 1.00 0.68 N ATOM 463 CA LEU A 32 3.554 4.427 -8.035 1.00 0.65 C ATOM 464 C LEU A 32 2.198 4.055 -8.627 1.00 0.60 C ATOM 465 O LEU A 32 1.185 4.599 -8.202 1.00 0.64 O ATOM 466 CB LEU A 32 3.554 4.382 -6.502 1.00 0.72 C ATOM 467 CG LEU A 32 3.120 3.065 -5.840 1.00 1.06 C ATOM 468 CD1 LEU A 32 3.970 1.887 -6.326 1.00 1.77 C ATOM 469 CD2 LEU A 32 3.253 3.223 -4.320 1.00 2.39 C ATOM 0 H LEU A 32 3.506 6.488 -7.758 1.00 0.68 H new ATOM 0 HA LEU A 32 4.265 3.701 -8.429 1.00 0.65 H new ATOM 0 HB2 LEU A 32 4.560 4.618 -6.157 1.00 0.72 H new ATOM 0 HB3 LEU A 32 2.899 5.174 -6.140 1.00 0.72 H new ATOM 0 HG LEU A 32 2.086 2.851 -6.112 1.00 1.06 H new ATOM 0 HD11 LEU A 32 3.636 0.971 -5.838 1.00 1.77 H new ATOM 0 HD12 LEU A 32 3.863 1.782 -7.406 1.00 1.77 H new ATOM 0 HD13 LEU A 32 5.017 2.068 -6.081 1.00 1.77 H new ATOM 0 HD21 LEU A 32 2.949 2.298 -3.830 1.00 2.39 H new ATOM 0 HD22 LEU A 32 4.290 3.445 -4.067 1.00 2.39 H new ATOM 0 HD23 LEU A 32 2.615 4.039 -3.982 1.00 2.39 H new ATOM 481 N VAL A 33 2.182 3.134 -9.587 1.00 0.52 N ATOM 482 CA VAL A 33 0.989 2.804 -10.389 1.00 0.46 C ATOM 483 C VAL A 33 0.404 1.427 -9.999 1.00 0.41 C ATOM 484 O VAL A 33 -0.765 1.156 -10.262 1.00 0.47 O ATOM 485 CB VAL A 33 1.313 2.841 -11.909 1.00 0.45 C ATOM 486 CG1 VAL A 33 1.839 4.221 -12.355 1.00 0.54 C ATOM 487 CG2 VAL A 33 2.355 1.799 -12.362 1.00 0.43 C ATOM 0 H VAL A 33 3.003 2.584 -9.839 1.00 0.52 H new ATOM 0 HA VAL A 33 0.236 3.562 -10.175 1.00 0.46 H new ATOM 0 HB VAL A 33 0.356 2.610 -12.376 1.00 0.45 H new ATOM 0 HG11 VAL A 33 2.052 4.201 -13.424 1.00 0.54 H new ATOM 0 HG12 VAL A 33 1.086 4.981 -12.150 1.00 0.54 H new ATOM 0 HG13 VAL A 33 2.751 4.457 -11.807 1.00 0.54 H new ATOM 0 HG21 VAL A 33 2.522 1.894 -13.435 1.00 0.43 H new ATOM 0 HG22 VAL A 33 3.293 1.968 -11.833 1.00 0.43 H new ATOM 0 HG23 VAL A 33 1.988 0.797 -12.139 1.00 0.43 H new ATOM 497 N GLY A 34 1.227 0.542 -9.408 1.00 0.37 N ATOM 498 CA GLY A 34 0.857 -0.824 -9.015 1.00 0.37 C ATOM 499 C GLY A 34 1.788 -1.440 -7.973 1.00 0.36 C ATOM 500 O GLY A 34 2.720 -0.809 -7.482 1.00 0.44 O ATOM 0 H GLY A 34 2.197 0.767 -9.185 1.00 0.37 H new ATOM 0 HA2 GLY A 34 -0.159 -0.816 -8.621 1.00 0.37 H new ATOM 0 HA3 GLY A 34 0.850 -1.458 -9.902 1.00 0.37 H new ATOM 504 N ALA A 35 1.547 -2.711 -7.675 1.00 0.42 N ATOM 505 CA ALA A 35 2.342 -3.560 -6.791 1.00 0.39 C ATOM 506 C ALA A 35 2.277 -5.035 -7.239 1.00 0.40 C ATOM 507 O ALA A 35 1.594 -5.353 -8.214 1.00 0.44 O ATOM 508 CB ALA A 35 1.844 -3.363 -5.348 1.00 0.49 C ATOM 0 H ALA A 35 0.746 -3.207 -8.065 1.00 0.42 H new ATOM 0 HA ALA A 35 3.393 -3.275 -6.840 1.00 0.39 H new ATOM 0 HB1 ALA A 35 2.427 -3.990 -4.673 1.00 0.49 H new ATOM 0 HB2 ALA A 35 1.960 -2.317 -5.063 1.00 0.49 H new ATOM 0 HB3 ALA A 35 0.792 -3.642 -5.285 1.00 0.49 H new ATOM 514 N ARG A 36 2.933 -5.940 -6.504 1.00 0.47 N ATOM 515 CA ARG A 36 2.732 -7.388 -6.491 1.00 0.59 C ATOM 516 C ARG A 36 3.247 -7.932 -5.132 1.00 0.53 C ATOM 517 O ARG A 36 3.726 -7.167 -4.296 1.00 0.65 O ATOM 518 CB ARG A 36 3.368 -7.985 -7.770 1.00 0.84 C ATOM 519 CG ARG A 36 3.331 -9.507 -7.896 1.00 1.70 C ATOM 520 CD ARG A 36 1.903 -10.101 -7.938 1.00 3.14 C ATOM 521 NE ARG A 36 1.872 -11.526 -7.551 1.00 4.03 N ATOM 522 CZ ARG A 36 0.984 -12.442 -7.934 1.00 5.03 C ATOM 523 NH1 ARG A 36 -0.046 -12.205 -8.706 1.00 5.88 N ATOM 524 NH2 ARG A 36 1.084 -13.688 -7.542 1.00 5.96 N ATOM 0 H ARG A 36 3.670 -5.657 -5.858 1.00 0.47 H new ATOM 0 HA ARG A 36 1.686 -7.690 -6.539 1.00 0.59 H new ATOM 0 HB2 ARG A 36 2.862 -7.557 -8.636 1.00 0.84 H new ATOM 0 HB3 ARG A 36 4.408 -7.663 -7.818 1.00 0.84 H new ATOM 0 HG2 ARG A 36 3.862 -9.799 -8.802 1.00 1.70 H new ATOM 0 HG3 ARG A 36 3.871 -9.944 -7.056 1.00 1.70 H new ATOM 0 HD2 ARG A 36 1.256 -9.532 -7.270 1.00 3.14 H new ATOM 0 HD3 ARG A 36 1.497 -9.992 -8.944 1.00 3.14 H new ATOM 0 HE ARG A 36 2.610 -11.843 -6.923 1.00 4.03 H new ATOM 0 HH11 ARG A 36 -0.213 -11.263 -9.059 1.00 5.88 H new ATOM 0 HH12 ARG A 36 -0.682 -12.963 -8.955 1.00 5.88 H new ATOM 0 HH21 ARG A 36 1.852 -13.971 -6.933 1.00 5.96 H new ATOM 0 HH22 ARG A 36 0.394 -14.375 -7.846 1.00 5.96 H new ATOM 538 N THR A 37 3.078 -9.228 -4.856 1.00 0.51 N ATOM 539 CA THR A 37 3.387 -9.913 -3.589 1.00 0.52 C ATOM 540 C THR A 37 3.263 -11.431 -3.785 1.00 0.52 C ATOM 541 O THR A 37 2.559 -11.840 -4.714 1.00 0.52 O ATOM 542 CB THR A 37 2.475 -9.390 -2.468 1.00 0.61 C ATOM 543 OG1 THR A 37 2.591 -10.204 -1.338 1.00 0.74 O ATOM 544 CG2 THR A 37 0.988 -9.367 -2.830 1.00 0.63 C ATOM 0 H THR A 37 2.699 -9.870 -5.552 1.00 0.51 H new ATOM 0 HA THR A 37 4.413 -9.700 -3.289 1.00 0.52 H new ATOM 0 HB THR A 37 2.807 -8.367 -2.291 1.00 0.61 H new ATOM 0 HG1 THR A 37 2.754 -9.647 -0.549 1.00 0.74 H new ATOM 0 HG21 THR A 37 0.414 -8.985 -1.986 1.00 0.63 H new ATOM 0 HG22 THR A 37 0.834 -8.722 -3.695 1.00 0.63 H new ATOM 0 HG23 THR A 37 0.656 -10.378 -3.067 1.00 0.63 H new ATOM 552 N PRO A 38 3.893 -12.274 -2.940 1.00 0.68 N ATOM 553 CA PRO A 38 3.644 -13.711 -2.938 1.00 0.84 C ATOM 554 C PRO A 38 2.450 -14.156 -2.090 1.00 0.93 C ATOM 555 O PRO A 38 2.104 -15.334 -2.135 1.00 1.14 O ATOM 556 CB PRO A 38 4.934 -14.319 -2.419 1.00 0.88 C ATOM 557 CG PRO A 38 5.489 -13.275 -1.464 1.00 0.84 C ATOM 558 CD PRO A 38 5.018 -11.951 -2.064 1.00 0.76 C ATOM 0 HA PRO A 38 3.374 -14.041 -3.941 1.00 0.84 H new ATOM 0 HB2 PRO A 38 4.750 -15.265 -1.910 1.00 0.88 H new ATOM 0 HB3 PRO A 38 5.631 -14.524 -3.231 1.00 0.88 H new ATOM 0 HG2 PRO A 38 5.108 -13.415 -0.452 1.00 0.84 H new ATOM 0 HG3 PRO A 38 6.576 -13.324 -1.405 1.00 0.84 H new ATOM 0 HD2 PRO A 38 4.714 -11.256 -1.281 1.00 0.76 H new ATOM 0 HD3 PRO A 38 5.821 -11.470 -2.623 1.00 0.76 H new ATOM 566 N VAL A 39 1.817 -13.249 -1.339 1.00 0.84 N ATOM 567 CA VAL A 39 0.683 -13.572 -0.451 1.00 0.90 C ATOM 568 C VAL A 39 -0.690 -13.069 -0.938 1.00 0.79 C ATOM 569 O VAL A 39 -1.630 -13.059 -0.152 1.00 0.81 O ATOM 570 CB VAL A 39 0.958 -13.141 1.006 1.00 0.98 C ATOM 571 CG1 VAL A 39 2.145 -13.919 1.589 1.00 1.14 C ATOM 572 CG2 VAL A 39 1.153 -11.629 1.148 1.00 0.92 C ATOM 0 H VAL A 39 2.075 -12.262 -1.326 1.00 0.84 H new ATOM 0 HA VAL A 39 0.610 -14.659 -0.485 1.00 0.90 H new ATOM 0 HB VAL A 39 0.069 -13.389 1.585 1.00 0.98 H new ATOM 0 HG11 VAL A 39 2.321 -13.599 2.616 1.00 1.14 H new ATOM 0 HG12 VAL A 39 1.923 -14.986 1.574 1.00 1.14 H new ATOM 0 HG13 VAL A 39 3.036 -13.725 0.991 1.00 1.14 H new ATOM 0 HG21 VAL A 39 1.343 -11.383 2.193 1.00 0.92 H new ATOM 0 HG22 VAL A 39 2.001 -11.313 0.541 1.00 0.92 H new ATOM 0 HG23 VAL A 39 0.254 -11.113 0.812 1.00 0.92 H new ATOM 582 N ALA A 40 -0.841 -12.697 -2.216 1.00 0.73 N ATOM 583 CA ALA A 40 -2.091 -12.259 -2.872 1.00 0.66 C ATOM 584 C ALA A 40 -1.917 -12.344 -4.402 1.00 0.72 C ATOM 585 O ALA A 40 -0.789 -12.410 -4.892 1.00 0.93 O ATOM 586 CB ALA A 40 -2.448 -10.842 -2.407 1.00 0.78 C ATOM 0 H ALA A 40 -0.051 -12.692 -2.861 1.00 0.73 H new ATOM 0 HA ALA A 40 -2.918 -12.912 -2.593 1.00 0.66 H new ATOM 0 HB1 ALA A 40 -3.370 -10.521 -2.892 1.00 0.78 H new ATOM 0 HB2 ALA A 40 -2.586 -10.838 -1.326 1.00 0.78 H new ATOM 0 HB3 ALA A 40 -1.642 -10.158 -2.672 1.00 0.78 H new ATOM 592 N GLU A 41 -3.016 -12.400 -5.153 1.00 0.72 N ATOM 593 CA GLU A 41 -3.006 -12.686 -6.584 1.00 0.81 C ATOM 594 C GLU A 41 -3.332 -11.462 -7.450 1.00 0.73 C ATOM 595 O GLU A 41 -2.662 -11.205 -8.453 1.00 1.00 O ATOM 596 CB GLU A 41 -4.012 -13.815 -6.837 1.00 0.91 C ATOM 597 CG GLU A 41 -3.848 -14.401 -8.247 1.00 1.20 C ATOM 598 CD GLU A 41 -2.573 -15.247 -8.366 1.00 2.56 C ATOM 599 OE1 GLU A 41 -1.436 -14.715 -8.308 1.00 3.85 O ATOM 600 OE2 GLU A 41 -2.690 -16.487 -8.321 1.00 3.29 O ATOM 0 H GLU A 41 -3.952 -12.245 -4.777 1.00 0.72 H new ATOM 0 HA GLU A 41 -1.998 -12.982 -6.873 1.00 0.81 H new ATOM 0 HB2 GLU A 41 -3.874 -14.602 -6.095 1.00 0.91 H new ATOM 0 HB3 GLU A 41 -5.026 -13.436 -6.714 1.00 0.91 H new ATOM 0 HG2 GLU A 41 -4.716 -15.015 -8.489 1.00 1.20 H new ATOM 0 HG3 GLU A 41 -3.817 -13.591 -8.976 1.00 1.20 H new ATOM 607 N ARG A 42 -4.323 -10.672 -7.038 1.00 0.63 N ATOM 608 CA ARG A 42 -4.541 -9.322 -7.537 1.00 0.70 C ATOM 609 C ARG A 42 -4.302 -8.343 -6.397 1.00 0.66 C ATOM 610 O ARG A 42 -4.528 -8.628 -5.226 1.00 0.94 O ATOM 611 CB ARG A 42 -5.923 -9.139 -8.184 1.00 0.81 C ATOM 612 CG ARG A 42 -7.108 -9.856 -7.510 1.00 2.19 C ATOM 613 CD ARG A 42 -8.373 -8.990 -7.593 1.00 2.79 C ATOM 614 NE ARG A 42 -9.608 -9.763 -7.803 1.00 4.04 N ATOM 615 CZ ARG A 42 -10.827 -9.227 -7.779 1.00 5.28 C ATOM 616 NH1 ARG A 42 -11.026 -7.972 -7.438 1.00 5.79 N ATOM 617 NH2 ARG A 42 -11.874 -9.960 -8.107 1.00 6.56 N ATOM 0 H ARG A 42 -5.006 -10.960 -6.337 1.00 0.63 H new ATOM 0 HA ARG A 42 -3.832 -9.125 -8.341 1.00 0.70 H new ATOM 0 HB2 ARG A 42 -6.145 -8.072 -8.215 1.00 0.81 H new ATOM 0 HB3 ARG A 42 -5.862 -9.482 -9.217 1.00 0.81 H new ATOM 0 HG2 ARG A 42 -7.284 -10.816 -7.995 1.00 2.19 H new ATOM 0 HG3 ARG A 42 -6.870 -10.065 -6.467 1.00 2.19 H new ATOM 0 HD2 ARG A 42 -8.468 -8.413 -6.673 1.00 2.79 H new ATOM 0 HD3 ARG A 42 -8.260 -8.275 -8.408 1.00 2.79 H new ATOM 0 HE ARG A 42 -9.526 -10.765 -7.977 1.00 4.04 H new ATOM 0 HH11 ARG A 42 -10.235 -7.381 -7.183 1.00 5.79 H new ATOM 0 HH12 ARG A 42 -11.972 -7.590 -7.429 1.00 5.79 H new ATOM 0 HH21 ARG A 42 -11.749 -10.935 -8.378 1.00 6.56 H new ATOM 0 HH22 ARG A 42 -12.808 -9.551 -8.089 1.00 6.56 H new ATOM 631 N VAL A 43 -3.813 -7.178 -6.775 1.00 0.55 N ATOM 632 CA VAL A 43 -3.529 -6.059 -5.887 1.00 0.51 C ATOM 633 C VAL A 43 -4.059 -4.792 -6.557 1.00 0.60 C ATOM 634 O VAL A 43 -3.894 -4.622 -7.766 1.00 0.85 O ATOM 635 CB VAL A 43 -2.028 -5.999 -5.551 1.00 0.54 C ATOM 636 CG1 VAL A 43 -1.118 -5.710 -6.752 1.00 0.68 C ATOM 637 CG2 VAL A 43 -1.738 -4.990 -4.441 1.00 0.66 C ATOM 0 H VAL A 43 -3.592 -6.973 -7.750 1.00 0.55 H new ATOM 0 HA VAL A 43 -4.031 -6.175 -4.926 1.00 0.51 H new ATOM 0 HB VAL A 43 -1.789 -7.006 -5.210 1.00 0.54 H new ATOM 0 HG11 VAL A 43 -0.079 -5.686 -6.424 1.00 0.68 H new ATOM 0 HG12 VAL A 43 -1.244 -6.492 -7.500 1.00 0.68 H new ATOM 0 HG13 VAL A 43 -1.384 -4.746 -7.186 1.00 0.68 H new ATOM 0 HG21 VAL A 43 -0.668 -4.976 -4.232 1.00 0.66 H new ATOM 0 HG22 VAL A 43 -2.058 -3.998 -4.758 1.00 0.66 H new ATOM 0 HG23 VAL A 43 -2.280 -5.275 -3.539 1.00 0.66 H new ATOM 647 N GLU A 44 -4.755 -3.965 -5.783 1.00 0.55 N ATOM 648 CA GLU A 44 -5.586 -2.855 -6.255 1.00 0.65 C ATOM 649 C GLU A 44 -5.243 -1.591 -5.470 1.00 0.70 C ATOM 650 O GLU A 44 -5.273 -1.603 -4.243 1.00 1.01 O ATOM 651 CB GLU A 44 -7.066 -3.198 -6.015 1.00 0.82 C ATOM 652 CG GLU A 44 -7.585 -4.295 -6.957 1.00 1.44 C ATOM 653 CD GLU A 44 -8.833 -5.002 -6.417 1.00 2.29 C ATOM 654 OE1 GLU A 44 -9.605 -4.360 -5.673 1.00 2.78 O ATOM 655 OE2 GLU A 44 -9.016 -6.196 -6.747 1.00 3.30 O ATOM 0 H GLU A 44 -4.758 -4.051 -4.767 1.00 0.55 H new ATOM 0 HA GLU A 44 -5.404 -2.691 -7.317 1.00 0.65 H new ATOM 0 HB2 GLU A 44 -7.196 -3.521 -4.982 1.00 0.82 H new ATOM 0 HB3 GLU A 44 -7.668 -2.299 -6.146 1.00 0.82 H new ATOM 0 HG2 GLU A 44 -7.814 -3.855 -7.928 1.00 1.44 H new ATOM 0 HG3 GLU A 44 -6.797 -5.031 -7.118 1.00 1.44 H new ATOM 662 N LEU A 45 -4.908 -0.498 -6.154 1.00 0.57 N ATOM 663 CA LEU A 45 -4.479 0.735 -5.484 1.00 0.59 C ATOM 664 C LEU A 45 -5.673 1.599 -5.054 1.00 0.52 C ATOM 665 O LEU A 45 -6.448 2.063 -5.890 1.00 0.56 O ATOM 666 CB LEU A 45 -3.504 1.480 -6.410 1.00 0.78 C ATOM 667 CG LEU A 45 -2.960 2.791 -5.812 1.00 0.57 C ATOM 668 CD1 LEU A 45 -2.199 2.633 -4.488 1.00 0.74 C ATOM 669 CD2 LEU A 45 -2.045 3.444 -6.848 1.00 0.85 C ATOM 0 H LEU A 45 -4.924 -0.438 -7.172 1.00 0.57 H new ATOM 0 HA LEU A 45 -3.961 0.489 -4.557 1.00 0.59 H new ATOM 0 HB2 LEU A 45 -2.666 0.823 -6.645 1.00 0.78 H new ATOM 0 HB3 LEU A 45 -4.008 1.702 -7.351 1.00 0.78 H new ATOM 0 HG LEU A 45 -3.827 3.407 -5.574 1.00 0.57 H new ATOM 0 HD11 LEU A 45 -1.856 3.610 -4.147 1.00 0.74 H new ATOM 0 HD12 LEU A 45 -2.860 2.199 -3.738 1.00 0.74 H new ATOM 0 HD13 LEU A 45 -1.340 1.978 -4.638 1.00 0.74 H new ATOM 0 HD21 LEU A 45 -1.647 4.376 -6.446 1.00 0.85 H new ATOM 0 HD22 LEU A 45 -1.222 2.769 -7.083 1.00 0.85 H new ATOM 0 HD23 LEU A 45 -2.613 3.653 -7.755 1.00 0.85 H new ATOM 681 N HIS A 46 -5.808 1.844 -3.751 1.00 0.48 N ATOM 682 CA HIS A 46 -6.892 2.611 -3.130 1.00 0.44 C ATOM 683 C HIS A 46 -6.401 3.830 -2.328 1.00 0.43 C ATOM 684 O HIS A 46 -5.271 3.891 -1.843 1.00 0.51 O ATOM 685 CB HIS A 46 -7.690 1.697 -2.172 1.00 0.43 C ATOM 686 CG HIS A 46 -8.462 0.527 -2.729 1.00 0.44 C ATOM 687 ND1 HIS A 46 -9.126 -0.407 -1.945 1.00 0.46 N ATOM 688 CD2 HIS A 46 -8.616 0.158 -4.031 1.00 0.45 C ATOM 689 CE1 HIS A 46 -9.641 -1.324 -2.773 1.00 0.50 C ATOM 690 NE2 HIS A 46 -9.341 -1.019 -4.046 1.00 0.49 N ATOM 0 H HIS A 46 -5.135 1.498 -3.067 1.00 0.48 H new ATOM 0 HA HIS A 46 -7.511 2.979 -3.948 1.00 0.44 H new ATOM 0 HB2 HIS A 46 -6.988 1.304 -1.436 1.00 0.43 H new ATOM 0 HB3 HIS A 46 -8.397 2.328 -1.633 1.00 0.43 H new ATOM 0 HD1 HIS A 46 -9.206 -0.396 -0.928 1.00 0.46 H new ATOM 0 HD2 HIS A 46 -8.240 0.688 -4.894 1.00 0.45 H new ATOM 0 HE1 HIS A 46 -10.215 -2.185 -2.462 1.00 0.50 H new ATOM 698 N GLU A 47 -7.336 4.743 -2.097 1.00 0.40 N ATOM 699 CA GLU A 47 -7.308 5.751 -1.032 1.00 0.39 C ATOM 700 C GLU A 47 -8.282 5.389 0.092 1.00 0.43 C ATOM 701 O GLU A 47 -9.245 4.644 -0.137 1.00 0.59 O ATOM 702 CB GLU A 47 -7.614 7.138 -1.622 1.00 0.44 C ATOM 703 CG GLU A 47 -9.098 7.373 -1.906 1.00 0.68 C ATOM 704 CD GLU A 47 -9.370 8.768 -2.457 1.00 0.91 C ATOM 705 OE1 GLU A 47 -9.030 9.044 -3.630 1.00 2.10 O ATOM 706 OE2 GLU A 47 -10.072 9.541 -1.778 1.00 2.11 O ATOM 0 H GLU A 47 -8.176 4.808 -2.672 1.00 0.40 H new ATOM 0 HA GLU A 47 -6.310 5.777 -0.594 1.00 0.39 H new ATOM 0 HB2 GLU A 47 -7.260 7.903 -0.931 1.00 0.44 H new ATOM 0 HB3 GLU A 47 -7.052 7.261 -2.548 1.00 0.44 H new ATOM 0 HG2 GLU A 47 -9.451 6.628 -2.619 1.00 0.68 H new ATOM 0 HG3 GLU A 47 -9.668 7.230 -0.988 1.00 0.68 H new ATOM 713 N THR A 48 -8.061 5.972 1.275 1.00 0.52 N ATOM 714 CA THR A 48 -9.058 6.079 2.350 1.00 0.48 C ATOM 715 C THR A 48 -9.340 7.568 2.506 1.00 0.45 C ATOM 716 O THR A 48 -8.392 8.353 2.476 1.00 0.53 O ATOM 717 CB THR A 48 -8.486 5.530 3.658 1.00 0.59 C ATOM 718 OG1 THR A 48 -8.013 4.221 3.455 1.00 0.85 O ATOM 719 CG2 THR A 48 -9.504 5.488 4.795 1.00 0.63 C ATOM 0 H THR A 48 -7.164 6.393 1.519 1.00 0.52 H new ATOM 0 HA THR A 48 -9.959 5.512 2.115 1.00 0.48 H new ATOM 0 HB THR A 48 -7.686 6.211 3.947 1.00 0.59 H new ATOM 0 HG1 THR A 48 -7.050 4.246 3.274 1.00 0.85 H new ATOM 0 HG21 THR A 48 -9.031 5.088 5.692 1.00 0.63 H new ATOM 0 HG22 THR A 48 -9.868 6.496 4.995 1.00 0.63 H new ATOM 0 HG23 THR A 48 -10.341 4.850 4.511 1.00 0.63 H new ATOM 727 N PHE A 49 -10.604 7.959 2.669 1.00 0.46 N ATOM 728 CA PHE A 49 -11.025 9.358 2.754 1.00 0.51 C ATOM 729 C PHE A 49 -12.002 9.626 3.905 1.00 0.51 C ATOM 730 O PHE A 49 -12.486 8.723 4.591 1.00 0.58 O ATOM 731 CB PHE A 49 -11.590 9.822 1.395 1.00 0.58 C ATOM 732 CG PHE A 49 -12.904 9.200 0.935 1.00 0.59 C ATOM 733 CD1 PHE A 49 -14.119 9.635 1.501 1.00 1.92 C ATOM 734 CD2 PHE A 49 -12.931 8.246 -0.103 1.00 1.72 C ATOM 735 CE1 PHE A 49 -15.343 9.110 1.063 1.00 2.10 C ATOM 736 CE2 PHE A 49 -14.162 7.739 -0.562 1.00 1.65 C ATOM 737 CZ PHE A 49 -15.368 8.178 0.014 1.00 0.89 C ATOM 0 H PHE A 49 -11.379 7.300 2.747 1.00 0.46 H new ATOM 0 HA PHE A 49 -10.141 9.952 2.986 1.00 0.51 H new ATOM 0 HB2 PHE A 49 -11.725 10.903 1.437 1.00 0.58 H new ATOM 0 HB3 PHE A 49 -10.838 9.624 0.632 1.00 0.58 H new ATOM 0 HD1 PHE A 49 -14.107 10.382 2.281 1.00 1.92 H new ATOM 0 HD2 PHE A 49 -12.007 7.904 -0.546 1.00 1.72 H new ATOM 0 HE1 PHE A 49 -16.265 9.422 1.532 1.00 2.10 H new ATOM 0 HE2 PHE A 49 -14.180 7.011 -1.359 1.00 1.65 H new ATOM 0 HZ PHE A 49 -16.311 7.799 -0.350 1.00 0.89 H new ATOM 747 N MET A 50 -12.323 10.908 4.089 1.00 0.59 N ATOM 748 CA MET A 50 -13.326 11.401 5.037 1.00 0.66 C ATOM 749 C MET A 50 -14.445 12.147 4.298 1.00 0.63 C ATOM 750 O MET A 50 -14.181 12.869 3.337 1.00 0.61 O ATOM 751 CB MET A 50 -12.639 12.310 6.062 1.00 0.85 C ATOM 752 CG MET A 50 -11.675 11.514 6.952 1.00 2.38 C ATOM 753 SD MET A 50 -10.958 12.475 8.305 1.00 2.98 S ATOM 754 CE MET A 50 -9.267 12.654 7.684 1.00 4.86 C ATOM 0 H MET A 50 -11.876 11.659 3.563 1.00 0.59 H new ATOM 0 HA MET A 50 -13.783 10.560 5.558 1.00 0.66 H new ATOM 0 HB2 MET A 50 -12.093 13.099 5.544 1.00 0.85 H new ATOM 0 HB3 MET A 50 -13.392 12.798 6.682 1.00 0.85 H new ATOM 0 HG2 MET A 50 -12.205 10.658 7.369 1.00 2.38 H new ATOM 0 HG3 MET A 50 -10.869 11.119 6.334 1.00 2.38 H new ATOM 0 HE1 MET A 50 -8.676 13.227 8.398 1.00 4.86 H new ATOM 0 HE2 MET A 50 -8.822 11.668 7.552 1.00 4.86 H new ATOM 0 HE3 MET A 50 -9.284 13.175 6.727 1.00 4.86 H new ATOM 764 N ARG A 51 -15.696 11.970 4.737 1.00 0.70 N ATOM 765 CA ARG A 51 -16.862 12.726 4.249 1.00 0.83 C ATOM 766 C ARG A 51 -17.726 13.208 5.421 1.00 1.05 C ATOM 767 O ARG A 51 -18.001 12.459 6.361 1.00 0.93 O ATOM 768 CB ARG A 51 -17.760 11.878 3.315 1.00 0.97 C ATOM 769 CG ARG A 51 -17.561 12.113 1.802 1.00 1.70 C ATOM 770 CD ARG A 51 -18.828 11.794 0.980 1.00 1.97 C ATOM 771 NE ARG A 51 -19.858 12.834 1.162 1.00 3.48 N ATOM 772 CZ ARG A 51 -21.124 12.870 0.755 1.00 4.28 C ATOM 773 NH1 ARG A 51 -21.747 11.887 0.143 1.00 3.97 N ATOM 774 NH2 ARG A 51 -21.822 13.948 1.017 1.00 5.94 N ATOM 0 H ARG A 51 -15.934 11.285 5.455 1.00 0.70 H new ATOM 0 HA ARG A 51 -16.463 13.573 3.691 1.00 0.83 H new ATOM 0 HB2 ARG A 51 -17.581 10.824 3.527 1.00 0.97 H new ATOM 0 HB3 ARG A 51 -18.802 12.080 3.562 1.00 0.97 H new ATOM 0 HG2 ARG A 51 -17.275 13.151 1.634 1.00 1.70 H new ATOM 0 HG3 ARG A 51 -16.737 11.494 1.447 1.00 1.70 H new ATOM 0 HD2 ARG A 51 -18.569 11.716 -0.076 1.00 1.97 H new ATOM 0 HD3 ARG A 51 -19.227 10.826 1.283 1.00 1.97 H new ATOM 0 HE ARG A 51 -19.551 13.656 1.682 1.00 3.48 H new ATOM 0 HH11 ARG A 51 -21.256 11.015 -0.052 1.00 3.97 H new ATOM 0 HH12 ARG A 51 -22.722 11.997 -0.137 1.00 3.97 H new ATOM 0 HH21 ARG A 51 -21.391 14.725 1.518 1.00 5.94 H new ATOM 0 HH22 ARG A 51 -22.796 14.010 0.720 1.00 5.94 H new ATOM 788 N GLU A 52 -18.316 14.392 5.289 1.00 1.40 N ATOM 789 CA GLU A 52 -19.677 14.570 5.714 1.00 1.26 C ATOM 790 C GLU A 52 -20.559 13.976 4.609 1.00 1.41 C ATOM 791 O GLU A 52 -20.524 14.459 3.477 1.00 1.74 O ATOM 792 CB GLU A 52 -19.896 16.072 5.871 1.00 1.46 C ATOM 793 CG GLU A 52 -21.086 16.327 6.775 1.00 1.37 C ATOM 794 CD GLU A 52 -20.798 16.074 8.259 1.00 1.56 C ATOM 795 OE1 GLU A 52 -19.632 15.838 8.637 1.00 2.26 O ATOM 796 OE2 GLU A 52 -21.737 16.090 9.085 1.00 2.29 O ATOM 0 H GLU A 52 -17.872 15.222 4.897 1.00 1.40 H new ATOM 0 HA GLU A 52 -19.913 14.081 6.659 1.00 1.26 H new ATOM 0 HB2 GLU A 52 -19.004 16.537 6.290 1.00 1.46 H new ATOM 0 HB3 GLU A 52 -20.065 16.528 4.895 1.00 1.46 H new ATOM 0 HG2 GLU A 52 -21.413 17.359 6.648 1.00 1.37 H new ATOM 0 HG3 GLU A 52 -21.913 15.690 6.461 1.00 1.37 H new ATOM 803 N VAL A 53 -21.284 12.903 4.914 1.00 1.52 N ATOM 804 CA VAL A 53 -22.309 12.286 4.069 1.00 1.94 C ATOM 805 C VAL A 53 -23.603 12.913 4.528 1.00 2.05 C ATOM 806 O VAL A 53 -24.143 12.534 5.562 1.00 2.02 O ATOM 807 CB VAL A 53 -22.350 10.746 4.209 1.00 2.00 C ATOM 808 CG1 VAL A 53 -23.583 10.058 3.594 1.00 1.99 C ATOM 809 CG2 VAL A 53 -21.111 10.120 3.550 1.00 2.99 C ATOM 0 H VAL A 53 -21.169 12.414 5.802 1.00 1.52 H new ATOM 0 HA VAL A 53 -22.109 12.459 3.012 1.00 1.94 H new ATOM 0 HB VAL A 53 -22.388 10.580 5.286 1.00 2.00 H new ATOM 0 HG11 VAL A 53 -23.513 8.981 3.747 1.00 1.99 H new ATOM 0 HG12 VAL A 53 -24.487 10.435 4.073 1.00 1.99 H new ATOM 0 HG13 VAL A 53 -23.623 10.271 2.526 1.00 1.99 H new ATOM 0 HG21 VAL A 53 -21.152 9.036 3.655 1.00 2.99 H new ATOM 0 HG22 VAL A 53 -21.090 10.381 2.492 1.00 2.99 H new ATOM 0 HG23 VAL A 53 -20.211 10.498 4.035 1.00 2.99 H new ATOM 819 N GLU A 54 -24.050 13.930 3.801 1.00 2.74 N ATOM 820 CA GLU A 54 -25.413 14.470 3.907 1.00 3.24 C ATOM 821 C GLU A 54 -25.673 15.060 5.308 1.00 2.79 C ATOM 822 O GLU A 54 -26.726 14.878 5.928 1.00 3.12 O ATOM 823 CB GLU A 54 -26.392 13.358 3.492 1.00 3.95 C ATOM 824 CG GLU A 54 -26.398 13.033 1.973 1.00 5.32 C ATOM 825 CD GLU A 54 -25.035 13.096 1.255 1.00 7.52 C ATOM 826 OE1 GLU A 54 -24.539 14.217 1.011 1.00 8.83 O ATOM 827 OE2 GLU A 54 -24.385 12.054 1.021 1.00 8.34 O ATOM 0 H GLU A 54 -23.475 14.413 3.111 1.00 2.74 H new ATOM 0 HA GLU A 54 -25.559 15.313 3.232 1.00 3.24 H new ATOM 0 HB2 GLU A 54 -26.145 12.451 4.043 1.00 3.95 H new ATOM 0 HB3 GLU A 54 -27.399 13.649 3.792 1.00 3.95 H new ATOM 0 HG2 GLU A 54 -26.809 12.033 1.839 1.00 5.32 H new ATOM 0 HG3 GLU A 54 -27.078 13.726 1.478 1.00 5.32 H new ATOM 834 N GLY A 55 -24.642 15.697 5.873 1.00 2.22 N ATOM 835 CA GLY A 55 -24.669 16.246 7.234 1.00 1.99 C ATOM 836 C GLY A 55 -24.463 15.171 8.299 1.00 1.84 C ATOM 837 O GLY A 55 -24.885 15.360 9.438 1.00 2.26 O ATOM 0 H GLY A 55 -23.755 15.848 5.393 1.00 2.22 H new ATOM 0 HA2 GLY A 55 -23.893 17.005 7.332 1.00 1.99 H new ATOM 0 HA3 GLY A 55 -25.624 16.743 7.403 1.00 1.99 H new ATOM 841 N LYS A 56 -23.930 14.007 7.916 1.00 1.61 N ATOM 842 CA LYS A 56 -23.447 12.948 8.813 1.00 1.49 C ATOM 843 C LYS A 56 -21.949 12.661 8.556 1.00 1.06 C ATOM 844 O LYS A 56 -21.572 12.109 7.524 1.00 0.97 O ATOM 845 CB LYS A 56 -24.296 11.662 8.649 1.00 1.77 C ATOM 846 CG LYS A 56 -25.812 11.862 8.473 1.00 2.55 C ATOM 847 CD LYS A 56 -26.522 12.470 9.697 1.00 2.35 C ATOM 848 CE LYS A 56 -27.824 13.189 9.308 1.00 3.02 C ATOM 849 NZ LYS A 56 -27.564 14.423 8.520 1.00 4.46 N ATOM 0 H LYS A 56 -23.818 13.765 6.932 1.00 1.61 H new ATOM 0 HA LYS A 56 -23.554 13.292 9.842 1.00 1.49 H new ATOM 0 HB2 LYS A 56 -23.921 11.113 7.785 1.00 1.77 H new ATOM 0 HB3 LYS A 56 -24.134 11.031 9.523 1.00 1.77 H new ATOM 0 HG2 LYS A 56 -25.983 12.508 7.612 1.00 2.55 H new ATOM 0 HG3 LYS A 56 -26.269 10.899 8.245 1.00 2.55 H new ATOM 0 HD2 LYS A 56 -26.744 11.682 10.416 1.00 2.35 H new ATOM 0 HD3 LYS A 56 -25.853 13.174 10.192 1.00 2.35 H new ATOM 0 HE2 LYS A 56 -28.452 12.513 8.727 1.00 3.02 H new ATOM 0 HE3 LYS A 56 -28.380 13.445 10.210 1.00 3.02 H new ATOM 0 HZ1 LYS A 56 -28.450 14.957 8.409 1.00 4.46 H new ATOM 0 HZ2 LYS A 56 -26.865 15.011 9.017 1.00 4.46 H new ATOM 0 HZ3 LYS A 56 -27.195 14.165 7.582 1.00 4.46 H new ATOM 863 N LYS A 57 -21.059 13.039 9.473 1.00 1.14 N ATOM 864 CA LYS A 57 -19.634 12.694 9.463 1.00 1.01 C ATOM 865 C LYS A 57 -19.417 11.168 9.445 1.00 1.05 C ATOM 866 O LYS A 57 -19.963 10.459 10.283 1.00 1.38 O ATOM 867 CB LYS A 57 -18.879 13.357 10.639 1.00 1.33 C ATOM 868 CG LYS A 57 -19.519 13.289 12.040 1.00 2.34 C ATOM 869 CD LYS A 57 -20.542 14.383 12.410 1.00 3.26 C ATOM 870 CE LYS A 57 -19.965 15.808 12.468 1.00 2.66 C ATOM 871 NZ LYS A 57 -20.071 16.528 11.177 1.00 2.64 N ATOM 0 H LYS A 57 -21.318 13.615 10.274 1.00 1.14 H new ATOM 0 HA LYS A 57 -19.215 13.093 8.539 1.00 1.01 H new ATOM 0 HB2 LYS A 57 -17.891 12.901 10.701 1.00 1.33 H new ATOM 0 HB3 LYS A 57 -18.730 14.408 10.390 1.00 1.33 H new ATOM 0 HG2 LYS A 57 -20.011 12.321 12.138 1.00 2.34 H new ATOM 0 HG3 LYS A 57 -18.717 13.315 12.778 1.00 2.34 H new ATOM 0 HD2 LYS A 57 -21.354 14.363 11.683 1.00 3.26 H new ATOM 0 HD3 LYS A 57 -20.977 14.142 13.380 1.00 3.26 H new ATOM 0 HE2 LYS A 57 -20.488 16.375 13.238 1.00 2.66 H new ATOM 0 HE3 LYS A 57 -18.917 15.758 12.765 1.00 2.66 H new ATOM 0 HZ1 LYS A 57 -20.112 17.552 11.353 1.00 2.64 H new ATOM 0 HZ2 LYS A 57 -19.241 16.311 10.589 1.00 2.64 H new ATOM 0 HZ3 LYS A 57 -20.934 16.227 10.681 1.00 2.64 H new ATOM 885 N VAL A 58 -18.618 10.695 8.490 1.00 0.94 N ATOM 886 CA VAL A 58 -18.199 9.289 8.314 1.00 1.06 C ATOM 887 C VAL A 58 -16.898 9.206 7.481 1.00 1.11 C ATOM 888 O VAL A 58 -16.418 10.217 6.971 1.00 1.38 O ATOM 889 CB VAL A 58 -19.374 8.449 7.740 1.00 1.11 C ATOM 890 CG1 VAL A 58 -19.660 8.799 6.273 1.00 2.13 C ATOM 891 CG2 VAL A 58 -19.206 6.932 7.919 1.00 2.43 C ATOM 0 H VAL A 58 -18.220 11.307 7.777 1.00 0.94 H new ATOM 0 HA VAL A 58 -17.955 8.850 9.282 1.00 1.06 H new ATOM 0 HB VAL A 58 -20.240 8.728 8.340 1.00 1.11 H new ATOM 0 HG11 VAL A 58 -20.488 8.191 5.908 1.00 2.13 H new ATOM 0 HG12 VAL A 58 -19.923 9.854 6.195 1.00 2.13 H new ATOM 0 HG13 VAL A 58 -18.772 8.601 5.672 1.00 2.13 H new ATOM 0 HG21 VAL A 58 -20.067 6.418 7.492 1.00 2.43 H new ATOM 0 HG22 VAL A 58 -18.299 6.604 7.411 1.00 2.43 H new ATOM 0 HG23 VAL A 58 -19.132 6.697 8.981 1.00 2.43 H new ATOM 901 N MET A 59 -16.316 8.014 7.332 1.00 0.93 N ATOM 902 CA MET A 59 -15.177 7.745 6.434 1.00 0.83 C ATOM 903 C MET A 59 -15.593 6.967 5.178 1.00 0.79 C ATOM 904 O MET A 59 -16.739 6.537 5.056 1.00 0.91 O ATOM 905 CB MET A 59 -14.060 7.016 7.195 1.00 0.84 C ATOM 906 CG MET A 59 -13.496 7.921 8.294 1.00 0.96 C ATOM 907 SD MET A 59 -12.010 7.267 9.092 1.00 2.14 S ATOM 908 CE MET A 59 -11.271 8.816 9.669 1.00 2.88 C ATOM 0 H MET A 59 -16.626 7.186 7.841 1.00 0.93 H new ATOM 0 HA MET A 59 -14.797 8.707 6.090 1.00 0.83 H new ATOM 0 HB2 MET A 59 -14.448 6.097 7.633 1.00 0.84 H new ATOM 0 HB3 MET A 59 -13.266 6.730 6.505 1.00 0.84 H new ATOM 0 HG2 MET A 59 -13.267 8.897 7.865 1.00 0.96 H new ATOM 0 HG3 MET A 59 -14.264 8.078 9.051 1.00 0.96 H new ATOM 0 HE1 MET A 59 -10.450 8.595 10.351 1.00 2.88 H new ATOM 0 HE2 MET A 59 -10.893 9.379 8.816 1.00 2.88 H new ATOM 0 HE3 MET A 59 -12.025 9.408 10.188 1.00 2.88 H new ATOM 918 N GLY A 60 -14.661 6.817 4.238 1.00 0.69 N ATOM 919 CA GLY A 60 -14.846 6.081 2.990 1.00 0.70 C ATOM 920 C GLY A 60 -13.530 5.595 2.386 1.00 0.59 C ATOM 921 O GLY A 60 -12.458 5.792 2.950 1.00 0.55 O ATOM 0 H GLY A 60 -13.727 7.217 4.328 1.00 0.69 H new ATOM 0 HA2 GLY A 60 -15.495 5.224 3.172 1.00 0.70 H new ATOM 0 HA3 GLY A 60 -15.357 6.720 2.269 1.00 0.70 H new ATOM 925 N MET A 61 -13.610 4.939 1.231 1.00 0.63 N ATOM 926 CA MET A 61 -12.487 4.351 0.501 1.00 0.55 C ATOM 927 C MET A 61 -12.864 4.271 -0.986 1.00 0.59 C ATOM 928 O MET A 61 -14.041 4.116 -1.308 1.00 0.76 O ATOM 929 CB MET A 61 -12.225 2.970 1.128 1.00 0.64 C ATOM 930 CG MET A 61 -11.177 2.114 0.413 1.00 0.61 C ATOM 931 SD MET A 61 -11.136 0.334 0.814 1.00 0.55 S ATOM 932 CE MET A 61 -11.574 0.339 2.571 1.00 1.15 C ATOM 0 H MET A 61 -14.501 4.796 0.755 1.00 0.63 H new ATOM 0 HA MET A 61 -11.575 4.944 0.568 1.00 0.55 H new ATOM 0 HB2 MET A 61 -11.910 3.113 2.162 1.00 0.64 H new ATOM 0 HB3 MET A 61 -13.164 2.418 1.155 1.00 0.64 H new ATOM 0 HG2 MET A 61 -11.335 2.214 -0.661 1.00 0.61 H new ATOM 0 HG3 MET A 61 -10.194 2.532 0.631 1.00 0.61 H new ATOM 0 HE1 MET A 61 -11.466 -0.667 2.976 1.00 1.15 H new ATOM 0 HE2 MET A 61 -10.914 1.020 3.109 1.00 1.15 H new ATOM 0 HE3 MET A 61 -12.607 0.668 2.688 1.00 1.15 H new ATOM 942 N ARG A 62 -11.884 4.346 -1.890 1.00 0.48 N ATOM 943 CA ARG A 62 -12.082 4.140 -3.340 1.00 0.49 C ATOM 944 C ARG A 62 -10.763 3.764 -4.042 1.00 0.44 C ATOM 945 O ARG A 62 -9.701 4.055 -3.485 1.00 0.41 O ATOM 946 CB ARG A 62 -12.745 5.376 -3.990 1.00 0.65 C ATOM 947 CG ARG A 62 -11.858 6.627 -3.971 1.00 1.43 C ATOM 948 CD ARG A 62 -12.463 7.788 -4.760 1.00 1.75 C ATOM 949 NE ARG A 62 -11.576 8.948 -4.649 1.00 2.84 N ATOM 950 CZ ARG A 62 -11.882 10.224 -4.506 1.00 3.74 C ATOM 951 NH1 ARG A 62 -13.076 10.697 -4.777 1.00 4.03 N ATOM 952 NH2 ARG A 62 -10.948 11.029 -4.068 1.00 4.74 N ATOM 0 H ARG A 62 -10.917 4.553 -1.640 1.00 0.48 H new ATOM 0 HA ARG A 62 -12.762 3.298 -3.467 1.00 0.49 H new ATOM 0 HB2 ARG A 62 -13.003 5.139 -5.022 1.00 0.65 H new ATOM 0 HB3 ARG A 62 -13.678 5.594 -3.470 1.00 0.65 H new ATOM 0 HG2 ARG A 62 -11.697 6.938 -2.939 1.00 1.43 H new ATOM 0 HG3 ARG A 62 -10.880 6.381 -4.386 1.00 1.43 H new ATOM 0 HD2 ARG A 62 -12.589 7.508 -5.806 1.00 1.75 H new ATOM 0 HD3 ARG A 62 -13.453 8.032 -4.374 1.00 1.75 H new ATOM 0 HE ARG A 62 -10.578 8.740 -4.688 1.00 2.84 H new ATOM 0 HH11 ARG A 62 -13.809 10.071 -5.112 1.00 4.03 H new ATOM 0 HH12 ARG A 62 -13.271 11.690 -4.653 1.00 4.03 H new ATOM 0 HH21 ARG A 62 -10.021 10.664 -3.850 1.00 4.74 H new ATOM 0 HH22 ARG A 62 -11.147 12.022 -3.945 1.00 4.74 H new ATOM 966 N PRO A 63 -10.792 3.128 -5.230 1.00 0.48 N ATOM 967 CA PRO A 63 -9.595 2.913 -6.030 1.00 0.49 C ATOM 968 C PRO A 63 -9.103 4.219 -6.655 1.00 0.51 C ATOM 969 O PRO A 63 -9.893 5.138 -6.865 1.00 0.55 O ATOM 970 CB PRO A 63 -9.972 1.867 -7.076 1.00 0.54 C ATOM 971 CG PRO A 63 -11.460 2.130 -7.294 1.00 0.59 C ATOM 972 CD PRO A 63 -11.946 2.534 -5.898 1.00 0.56 C ATOM 0 HA PRO A 63 -8.761 2.560 -5.423 1.00 0.49 H new ATOM 0 HB2 PRO A 63 -9.400 1.990 -7.996 1.00 0.54 H new ATOM 0 HB3 PRO A 63 -9.788 0.853 -6.720 1.00 0.54 H new ATOM 0 HG2 PRO A 63 -11.627 2.922 -8.024 1.00 0.59 H new ATOM 0 HG3 PRO A 63 -11.977 1.243 -7.661 1.00 0.59 H new ATOM 0 HD2 PRO A 63 -12.770 3.245 -5.962 1.00 0.56 H new ATOM 0 HD3 PRO A 63 -12.314 1.669 -5.347 1.00 0.56 H new ATOM 980 N VAL A 64 -7.799 4.280 -6.955 1.00 0.51 N ATOM 981 CA VAL A 64 -7.107 5.445 -7.542 1.00 0.52 C ATOM 982 C VAL A 64 -6.056 4.975 -8.573 1.00 0.52 C ATOM 983 O VAL A 64 -5.590 3.839 -8.463 1.00 0.51 O ATOM 984 CB VAL A 64 -6.470 6.355 -6.461 1.00 0.53 C ATOM 985 CG1 VAL A 64 -7.526 6.933 -5.510 1.00 0.65 C ATOM 986 CG2 VAL A 64 -5.370 5.666 -5.641 1.00 0.58 C ATOM 0 H VAL A 64 -7.171 3.493 -6.791 1.00 0.51 H new ATOM 0 HA VAL A 64 -7.853 6.052 -8.055 1.00 0.52 H new ATOM 0 HB VAL A 64 -6.000 7.164 -7.021 1.00 0.53 H new ATOM 0 HG11 VAL A 64 -7.040 7.565 -4.767 1.00 0.65 H new ATOM 0 HG12 VAL A 64 -8.242 7.527 -6.079 1.00 0.65 H new ATOM 0 HG13 VAL A 64 -8.048 6.119 -5.008 1.00 0.65 H new ATOM 0 HG21 VAL A 64 -4.972 6.365 -4.906 1.00 0.58 H new ATOM 0 HG22 VAL A 64 -5.787 4.799 -5.129 1.00 0.58 H new ATOM 0 HG23 VAL A 64 -4.568 5.344 -6.306 1.00 0.58 H new ATOM 996 N PRO A 65 -5.703 5.797 -9.587 1.00 0.55 N ATOM 997 CA PRO A 65 -4.936 5.351 -10.754 1.00 0.57 C ATOM 998 C PRO A 65 -3.436 5.244 -10.481 1.00 0.56 C ATOM 999 O PRO A 65 -2.778 4.446 -11.140 1.00 0.56 O ATOM 1000 CB PRO A 65 -5.239 6.381 -11.848 1.00 0.61 C ATOM 1001 CG PRO A 65 -5.441 7.672 -11.060 1.00 0.61 C ATOM 1002 CD PRO A 65 -6.108 7.186 -9.773 1.00 0.58 C ATOM 0 HA PRO A 65 -5.226 4.341 -11.045 1.00 0.57 H new ATOM 0 HB2 PRO A 65 -4.418 6.467 -12.559 1.00 0.61 H new ATOM 0 HB3 PRO A 65 -6.128 6.113 -12.419 1.00 0.61 H new ATOM 0 HG2 PRO A 65 -4.495 8.175 -10.860 1.00 0.61 H new ATOM 0 HG3 PRO A 65 -6.071 8.380 -11.599 1.00 0.61 H new ATOM 0 HD2 PRO A 65 -5.800 7.796 -8.924 1.00 0.58 H new ATOM 0 HD3 PRO A 65 -7.193 7.266 -9.846 1.00 0.58 H new ATOM 1010 N PHE A 66 -2.921 6.024 -9.526 1.00 0.55 N ATOM 1011 CA PHE A 66 -1.516 6.053 -9.101 1.00 0.54 C ATOM 1012 C PHE A 66 -1.306 7.044 -7.948 1.00 0.56 C ATOM 1013 O PHE A 66 -2.115 7.945 -7.729 1.00 0.59 O ATOM 1014 CB PHE A 66 -0.570 6.393 -10.264 1.00 0.51 C ATOM 1015 CG PHE A 66 -0.788 7.775 -10.818 1.00 0.51 C ATOM 1016 CD1 PHE A 66 -0.179 8.866 -10.187 1.00 1.80 C ATOM 1017 CD2 PHE A 66 -1.667 7.974 -11.891 1.00 2.09 C ATOM 1018 CE1 PHE A 66 -0.461 10.175 -10.594 1.00 1.83 C ATOM 1019 CE2 PHE A 66 -1.928 9.286 -12.337 1.00 2.09 C ATOM 1020 CZ PHE A 66 -1.330 10.386 -11.683 1.00 0.55 C ATOM 0 H PHE A 66 -3.498 6.683 -9.003 1.00 0.55 H new ATOM 0 HA PHE A 66 -1.273 5.049 -8.752 1.00 0.54 H new ATOM 0 HB2 PHE A 66 0.462 6.303 -9.923 1.00 0.51 H new ATOM 0 HB3 PHE A 66 -0.707 5.663 -11.061 1.00 0.51 H new ATOM 0 HD1 PHE A 66 0.516 8.696 -9.378 1.00 1.80 H new ATOM 0 HD2 PHE A 66 -2.140 7.131 -12.372 1.00 2.09 H new ATOM 0 HE1 PHE A 66 -0.017 11.014 -10.079 1.00 1.83 H new ATOM 0 HE2 PHE A 66 -2.585 9.450 -13.178 1.00 2.09 H new ATOM 0 HZ PHE A 66 -1.539 11.391 -12.018 1.00 0.55 H new ATOM 1030 N LEU A 67 -0.165 6.920 -7.267 1.00 0.58 N ATOM 1031 CA LEU A 67 0.360 7.918 -6.328 1.00 0.64 C ATOM 1032 C LEU A 67 1.596 8.592 -6.927 1.00 0.67 C ATOM 1033 O LEU A 67 2.281 7.994 -7.754 1.00 0.66 O ATOM 1034 CB LEU A 67 0.729 7.265 -4.984 1.00 0.70 C ATOM 1035 CG LEU A 67 -0.310 6.320 -4.352 1.00 0.69 C ATOM 1036 CD1 LEU A 67 0.194 5.942 -2.957 1.00 0.78 C ATOM 1037 CD2 LEU A 67 -1.716 6.920 -4.230 1.00 0.77 C ATOM 0 H LEU A 67 0.437 6.101 -7.355 1.00 0.58 H new ATOM 0 HA LEU A 67 -0.415 8.664 -6.150 1.00 0.64 H new ATOM 0 HB2 LEU A 67 1.654 6.706 -5.123 1.00 0.70 H new ATOM 0 HB3 LEU A 67 0.942 8.060 -4.269 1.00 0.70 H new ATOM 0 HG LEU A 67 -0.409 5.458 -5.012 1.00 0.69 H new ATOM 0 HD11 LEU A 67 -0.521 5.271 -2.481 1.00 0.78 H new ATOM 0 HD12 LEU A 67 1.159 5.442 -3.042 1.00 0.78 H new ATOM 0 HD13 LEU A 67 0.304 6.843 -2.353 1.00 0.78 H new ATOM 0 HD21 LEU A 67 -2.385 6.189 -3.775 1.00 0.77 H new ATOM 0 HD22 LEU A 67 -1.677 7.814 -3.607 1.00 0.77 H new ATOM 0 HD23 LEU A 67 -2.086 7.184 -5.221 1.00 0.77 H new ATOM 1049 N GLU A 68 1.886 9.821 -6.502 1.00 0.73 N ATOM 1050 CA GLU A 68 3.017 10.635 -6.977 1.00 0.82 C ATOM 1051 C GLU A 68 3.884 11.084 -5.797 1.00 0.93 C ATOM 1052 O GLU A 68 3.338 11.548 -4.796 1.00 1.07 O ATOM 1053 CB GLU A 68 2.475 11.890 -7.688 1.00 0.95 C ATOM 1054 CG GLU A 68 3.566 12.796 -8.287 1.00 1.05 C ATOM 1055 CD GLU A 68 3.944 12.359 -9.704 1.00 0.91 C ATOM 1056 OE1 GLU A 68 4.160 11.153 -9.940 1.00 1.62 O ATOM 1057 OE2 GLU A 68 3.928 13.217 -10.613 1.00 1.74 O ATOM 0 H GLU A 68 1.326 10.298 -5.795 1.00 0.73 H new ATOM 0 HA GLU A 68 3.617 10.034 -7.661 1.00 0.82 H new ATOM 0 HB2 GLU A 68 1.799 11.579 -8.484 1.00 0.95 H new ATOM 0 HB3 GLU A 68 1.886 12.470 -6.978 1.00 0.95 H new ATOM 0 HG2 GLU A 68 3.214 13.827 -8.305 1.00 1.05 H new ATOM 0 HG3 GLU A 68 4.450 12.772 -7.650 1.00 1.05 H new ATOM 1064 N VAL A 69 5.216 11.021 -5.926 1.00 0.92 N ATOM 1065 CA VAL A 69 6.147 11.565 -4.919 1.00 1.00 C ATOM 1066 C VAL A 69 7.409 12.181 -5.561 1.00 0.87 C ATOM 1067 O VAL A 69 8.003 11.564 -6.446 1.00 0.88 O ATOM 1068 CB VAL A 69 6.565 10.488 -3.875 1.00 1.21 C ATOM 1069 CG1 VAL A 69 7.410 11.063 -2.722 1.00 1.29 C ATOM 1070 CG2 VAL A 69 5.373 9.748 -3.239 1.00 1.41 C ATOM 0 H VAL A 69 5.681 10.594 -6.727 1.00 0.92 H new ATOM 0 HA VAL A 69 5.602 12.358 -4.406 1.00 1.00 H new ATOM 0 HB VAL A 69 7.157 9.787 -4.463 1.00 1.21 H new ATOM 0 HG11 VAL A 69 7.670 10.264 -2.028 1.00 1.29 H new ATOM 0 HG12 VAL A 69 8.322 11.505 -3.124 1.00 1.29 H new ATOM 0 HG13 VAL A 69 6.837 11.827 -2.197 1.00 1.29 H new ATOM 0 HG21 VAL A 69 5.741 9.014 -2.523 1.00 1.41 H new ATOM 0 HG22 VAL A 69 4.731 10.465 -2.727 1.00 1.41 H new ATOM 0 HG23 VAL A 69 4.802 9.241 -4.017 1.00 1.41 H new ATOM 1080 N PRO A 70 7.858 13.378 -5.126 1.00 0.83 N ATOM 1081 CA PRO A 70 9.061 14.035 -5.649 1.00 0.79 C ATOM 1082 C PRO A 70 10.365 13.290 -5.283 1.00 0.81 C ATOM 1083 O PRO A 70 10.345 12.356 -4.477 1.00 0.91 O ATOM 1084 CB PRO A 70 9.031 15.452 -5.055 1.00 0.84 C ATOM 1085 CG PRO A 70 8.254 15.284 -3.753 1.00 0.89 C ATOM 1086 CD PRO A 70 7.216 14.238 -4.138 1.00 0.93 C ATOM 0 HA PRO A 70 9.056 14.044 -6.739 1.00 0.79 H new ATOM 0 HB2 PRO A 70 10.037 15.832 -4.875 1.00 0.84 H new ATOM 0 HB3 PRO A 70 8.540 16.157 -5.726 1.00 0.84 H new ATOM 0 HG2 PRO A 70 8.893 14.945 -2.937 1.00 0.89 H new ATOM 0 HG3 PRO A 70 7.793 16.217 -3.430 1.00 0.89 H new ATOM 0 HD2 PRO A 70 6.900 13.663 -3.267 1.00 0.93 H new ATOM 0 HD3 PRO A 70 6.323 14.708 -4.551 1.00 0.93 H new ATOM 1094 N PRO A 71 11.520 13.708 -5.841 1.00 0.81 N ATOM 1095 CA PRO A 71 12.831 13.309 -5.341 1.00 0.85 C ATOM 1096 C PRO A 71 13.034 13.740 -3.891 1.00 0.99 C ATOM 1097 O PRO A 71 12.520 14.773 -3.464 1.00 1.13 O ATOM 1098 CB PRO A 71 13.848 13.936 -6.288 1.00 0.89 C ATOM 1099 CG PRO A 71 13.118 15.121 -6.903 1.00 0.90 C ATOM 1100 CD PRO A 71 11.670 14.652 -6.942 1.00 0.82 C ATOM 0 HA PRO A 71 12.942 12.225 -5.325 1.00 0.85 H new ATOM 0 HB2 PRO A 71 14.743 14.255 -5.754 1.00 0.89 H new ATOM 0 HB3 PRO A 71 14.168 13.227 -7.052 1.00 0.89 H new ATOM 0 HG2 PRO A 71 13.234 16.022 -6.301 1.00 0.90 H new ATOM 0 HG3 PRO A 71 13.494 15.353 -7.900 1.00 0.90 H new ATOM 0 HD2 PRO A 71 10.985 15.493 -6.830 1.00 0.82 H new ATOM 0 HD3 PRO A 71 11.440 14.178 -7.896 1.00 0.82 H new ATOM 1108 N LYS A 72 13.753 12.909 -3.130 1.00 1.05 N ATOM 1109 CA LYS A 72 14.068 13.072 -1.696 1.00 1.28 C ATOM 1110 C LYS A 72 12.843 12.951 -0.765 1.00 1.37 C ATOM 1111 O LYS A 72 12.978 12.986 0.455 1.00 1.63 O ATOM 1112 CB LYS A 72 14.872 14.366 -1.457 1.00 1.51 C ATOM 1113 CG LYS A 72 16.001 14.604 -2.474 1.00 1.65 C ATOM 1114 CD LYS A 72 17.045 13.476 -2.554 1.00 1.52 C ATOM 1115 CE LYS A 72 17.975 13.739 -3.740 1.00 1.64 C ATOM 1116 NZ LYS A 72 19.037 12.715 -3.874 1.00 1.78 N ATOM 0 H LYS A 72 14.156 12.054 -3.514 1.00 1.05 H new ATOM 0 HA LYS A 72 14.699 12.227 -1.420 1.00 1.28 H new ATOM 0 HB2 LYS A 72 14.189 15.215 -1.484 1.00 1.51 H new ATOM 0 HB3 LYS A 72 15.301 14.334 -0.456 1.00 1.51 H new ATOM 0 HG2 LYS A 72 15.559 14.742 -3.461 1.00 1.65 H new ATOM 0 HG3 LYS A 72 16.510 15.534 -2.220 1.00 1.65 H new ATOM 0 HD2 LYS A 72 17.619 13.429 -1.629 1.00 1.52 H new ATOM 0 HD3 LYS A 72 16.549 12.512 -2.671 1.00 1.52 H new ATOM 0 HE2 LYS A 72 17.387 13.769 -4.657 1.00 1.64 H new ATOM 0 HE3 LYS A 72 18.435 14.720 -3.625 1.00 1.64 H new ATOM 0 HZ1 LYS A 72 19.961 13.144 -3.664 1.00 1.78 H new ATOM 0 HZ2 LYS A 72 18.856 11.938 -3.207 1.00 1.78 H new ATOM 0 HZ3 LYS A 72 19.040 12.343 -4.845 1.00 1.78 H new ATOM 1130 N GLY A 73 11.649 12.763 -1.332 1.00 1.26 N ATOM 1131 CA GLY A 73 10.370 12.655 -0.619 1.00 1.39 C ATOM 1132 C GLY A 73 10.118 11.282 0.019 1.00 1.28 C ATOM 1133 O GLY A 73 10.684 10.265 -0.388 1.00 1.21 O ATOM 0 H GLY A 73 11.540 12.678 -2.343 1.00 1.26 H new ATOM 0 HA2 GLY A 73 10.336 13.417 0.160 1.00 1.39 H new ATOM 0 HA3 GLY A 73 9.560 12.874 -1.314 1.00 1.39 H new ATOM 1137 N ARG A 74 9.211 11.252 1.001 1.00 1.41 N ATOM 1138 CA ARG A 74 8.696 10.030 1.636 1.00 1.33 C ATOM 1139 C ARG A 74 7.542 9.434 0.818 1.00 1.47 C ATOM 1140 O ARG A 74 6.628 10.152 0.424 1.00 2.27 O ATOM 1141 CB ARG A 74 8.251 10.346 3.078 1.00 2.31 C ATOM 1142 CG ARG A 74 9.297 9.919 4.117 1.00 1.56 C ATOM 1143 CD ARG A 74 9.361 8.390 4.259 1.00 1.64 C ATOM 1144 NE ARG A 74 9.004 7.951 5.605 1.00 2.39 N ATOM 1145 CZ ARG A 74 9.804 7.665 6.617 1.00 2.75 C ATOM 1146 NH1 ARG A 74 11.116 7.771 6.555 1.00 3.20 N ATOM 1147 NH2 ARG A 74 9.226 7.257 7.727 1.00 3.75 N ATOM 0 H ARG A 74 8.801 12.102 1.389 1.00 1.41 H new ATOM 0 HA ARG A 74 9.490 9.284 1.670 1.00 1.33 H new ATOM 0 HB2 ARG A 74 8.064 11.416 3.172 1.00 2.31 H new ATOM 0 HB3 ARG A 74 7.309 9.839 3.285 1.00 2.31 H new ATOM 0 HG2 ARG A 74 10.276 10.299 3.826 1.00 1.56 H new ATOM 0 HG3 ARG A 74 9.056 10.365 5.082 1.00 1.56 H new ATOM 0 HD2 ARG A 74 8.687 7.930 3.537 1.00 1.64 H new ATOM 0 HD3 ARG A 74 10.367 8.045 4.020 1.00 1.64 H new ATOM 0 HE ARG A 74 8.005 7.852 5.788 1.00 2.39 H new ATOM 0 HH11 ARG A 74 11.562 8.088 5.694 1.00 3.20 H new ATOM 0 HH12 ARG A 74 11.686 7.537 7.368 1.00 3.20 H new ATOM 0 HH21 ARG A 74 8.210 7.176 7.773 1.00 3.75 H new ATOM 0 HH22 ARG A 74 9.794 7.022 8.541 1.00 3.75 H new ATOM 1161 N VAL A 75 7.573 8.119 0.615 1.00 1.53 N ATOM 1162 CA VAL A 75 6.635 7.317 -0.185 1.00 2.56 C ATOM 1163 C VAL A 75 5.897 6.369 0.775 1.00 1.91 C ATOM 1164 O VAL A 75 6.086 5.156 0.748 1.00 1.99 O ATOM 1165 CB VAL A 75 7.374 6.531 -1.310 1.00 3.93 C ATOM 1166 CG1 VAL A 75 6.405 5.868 -2.306 1.00 5.05 C ATOM 1167 CG2 VAL A 75 8.380 7.363 -2.125 1.00 4.73 C ATOM 0 H VAL A 75 8.303 7.541 1.032 1.00 1.53 H new ATOM 0 HA VAL A 75 5.921 7.967 -0.690 1.00 2.56 H new ATOM 0 HB VAL A 75 7.927 5.776 -0.751 1.00 3.93 H new ATOM 0 HG11 VAL A 75 6.974 5.335 -3.067 1.00 5.05 H new ATOM 0 HG12 VAL A 75 5.762 5.166 -1.775 1.00 5.05 H new ATOM 0 HG13 VAL A 75 5.792 6.634 -2.781 1.00 5.05 H new ATOM 0 HG21 VAL A 75 8.844 6.732 -2.883 1.00 4.73 H new ATOM 0 HG22 VAL A 75 7.860 8.190 -2.609 1.00 4.73 H new ATOM 0 HG23 VAL A 75 9.149 7.757 -1.461 1.00 4.73 H new ATOM 1177 N GLU A 76 5.112 6.929 1.702 1.00 1.54 N ATOM 1178 CA GLU A 76 4.298 6.138 2.631 1.00 0.99 C ATOM 1179 C GLU A 76 2.860 6.052 2.125 1.00 0.94 C ATOM 1180 O GLU A 76 2.301 7.067 1.715 1.00 1.33 O ATOM 1181 CB GLU A 76 4.275 6.725 4.048 1.00 1.16 C ATOM 1182 CG GLU A 76 5.592 7.301 4.576 1.00 1.53 C ATOM 1183 CD GLU A 76 5.501 7.643 6.068 1.00 1.96 C ATOM 1184 OE1 GLU A 76 4.400 8.047 6.517 1.00 2.58 O ATOM 1185 OE2 GLU A 76 6.546 7.550 6.742 1.00 3.02 O ATOM 0 H GLU A 76 5.023 7.937 1.829 1.00 1.54 H new ATOM 0 HA GLU A 76 4.757 5.150 2.678 1.00 0.99 H new ATOM 0 HB2 GLU A 76 3.523 7.513 4.077 1.00 1.16 H new ATOM 0 HB3 GLU A 76 3.946 5.945 4.734 1.00 1.16 H new ATOM 0 HG2 GLU A 76 6.395 6.581 4.415 1.00 1.53 H new ATOM 0 HG3 GLU A 76 5.850 8.197 4.012 1.00 1.53 H new ATOM 1192 N LEU A 77 2.252 4.867 2.202 1.00 0.68 N ATOM 1193 CA LEU A 77 0.875 4.649 1.769 1.00 0.72 C ATOM 1194 C LEU A 77 -0.123 5.269 2.766 1.00 1.32 C ATOM 1195 O LEU A 77 -0.780 6.233 2.397 1.00 3.19 O ATOM 1196 CB LEU A 77 0.700 3.146 1.436 1.00 0.61 C ATOM 1197 CG LEU A 77 0.513 2.906 -0.080 1.00 0.86 C ATOM 1198 CD1 LEU A 77 1.689 3.389 -0.947 1.00 0.91 C ATOM 1199 CD2 LEU A 77 0.336 1.413 -0.373 1.00 1.20 C ATOM 0 H LEU A 77 2.705 4.030 2.568 1.00 0.68 H new ATOM 0 HA LEU A 77 0.643 5.179 0.845 1.00 0.72 H new ATOM 0 HB2 LEU A 77 1.572 2.593 1.786 1.00 0.61 H new ATOM 0 HB3 LEU A 77 -0.163 2.754 1.974 1.00 0.61 H new ATOM 0 HG LEU A 77 -0.372 3.487 -0.340 1.00 0.86 H new ATOM 0 HD11 LEU A 77 1.476 3.183 -1.996 1.00 0.91 H new ATOM 0 HD12 LEU A 77 1.827 4.461 -0.809 1.00 0.91 H new ATOM 0 HD13 LEU A 77 2.598 2.865 -0.651 1.00 0.91 H new ATOM 0 HD21 LEU A 77 0.206 1.266 -1.445 1.00 1.20 H new ATOM 0 HD22 LEU A 77 1.219 0.869 -0.036 1.00 1.20 H new ATOM 0 HD23 LEU A 77 -0.543 1.041 0.154 1.00 1.20 H new ATOM 1211 N LYS A 78 -0.165 4.777 4.020 1.00 1.10 N ATOM 1212 CA LYS A 78 -0.722 5.402 5.253 1.00 1.04 C ATOM 1213 C LYS A 78 -2.048 4.757 5.754 1.00 0.92 C ATOM 1214 O LYS A 78 -2.991 4.687 4.970 1.00 0.94 O ATOM 1215 CB LYS A 78 -0.858 6.935 5.086 1.00 1.34 C ATOM 1216 CG LYS A 78 -1.176 7.748 6.344 1.00 1.61 C ATOM 1217 CD LYS A 78 -0.579 9.172 6.320 1.00 2.11 C ATOM 1218 CE LYS A 78 0.933 9.300 6.013 1.00 2.19 C ATOM 1219 NZ LYS A 78 1.808 8.514 6.922 1.00 3.69 N ATOM 0 H LYS A 78 0.221 3.854 4.222 1.00 1.10 H new ATOM 0 HA LYS A 78 0.004 5.201 6.041 1.00 1.04 H new ATOM 0 HB2 LYS A 78 0.074 7.313 4.665 1.00 1.34 H new ATOM 0 HB3 LYS A 78 -1.641 7.127 4.352 1.00 1.34 H new ATOM 0 HG2 LYS A 78 -2.258 7.817 6.459 1.00 1.61 H new ATOM 0 HG3 LYS A 78 -0.796 7.217 7.217 1.00 1.61 H new ATOM 0 HD2 LYS A 78 -1.125 9.755 5.578 1.00 2.11 H new ATOM 0 HD3 LYS A 78 -0.767 9.634 7.289 1.00 2.11 H new ATOM 0 HE2 LYS A 78 1.112 8.979 4.987 1.00 2.19 H new ATOM 0 HE3 LYS A 78 1.217 10.351 6.073 1.00 2.19 H new ATOM 0 HZ1 LYS A 78 2.790 8.556 6.581 1.00 3.69 H new ATOM 0 HZ2 LYS A 78 1.757 8.911 7.882 1.00 3.69 H new ATOM 0 HZ3 LYS A 78 1.490 7.524 6.940 1.00 3.69 H new ATOM 1233 N PRO A 79 -2.175 4.363 7.050 1.00 1.09 N ATOM 1234 CA PRO A 79 -3.384 3.734 7.612 1.00 1.27 C ATOM 1235 C PRO A 79 -4.662 4.539 7.370 1.00 1.21 C ATOM 1236 O PRO A 79 -5.586 4.038 6.734 1.00 2.12 O ATOM 1237 CB PRO A 79 -3.117 3.494 9.100 1.00 1.63 C ATOM 1238 CG PRO A 79 -1.916 4.378 9.411 1.00 1.56 C ATOM 1239 CD PRO A 79 -1.152 4.386 8.090 1.00 1.38 C ATOM 0 HA PRO A 79 -3.572 2.791 7.099 1.00 1.27 H new ATOM 0 HB2 PRO A 79 -3.980 3.766 9.708 1.00 1.63 H new ATOM 0 HB3 PRO A 79 -2.902 2.445 9.302 1.00 1.63 H new ATOM 0 HG2 PRO A 79 -2.219 5.382 9.709 1.00 1.56 H new ATOM 0 HG3 PRO A 79 -1.314 3.972 10.224 1.00 1.56 H new ATOM 0 HD2 PRO A 79 -0.525 5.273 8.004 1.00 1.38 H new ATOM 0 HD3 PRO A 79 -0.493 3.521 8.012 1.00 1.38 H new ATOM 1247 N GLY A 80 -4.705 5.804 7.803 1.00 0.96 N ATOM 1248 CA GLY A 80 -5.835 6.707 7.544 1.00 1.08 C ATOM 1249 C GLY A 80 -5.848 7.294 6.127 1.00 1.09 C ATOM 1250 O GLY A 80 -6.306 8.420 5.963 1.00 1.86 O ATOM 0 H GLY A 80 -3.955 6.233 8.345 1.00 0.96 H new ATOM 0 HA2 GLY A 80 -6.766 6.165 7.711 1.00 1.08 H new ATOM 0 HA3 GLY A 80 -5.808 7.524 8.265 1.00 1.08 H new ATOM 1254 N GLY A 81 -5.295 6.579 5.134 1.00 0.65 N ATOM 1255 CA GLY A 81 -5.153 7.043 3.749 1.00 0.67 C ATOM 1256 C GLY A 81 -4.848 5.955 2.716 1.00 0.79 C ATOM 1257 O GLY A 81 -5.587 4.974 2.588 1.00 1.63 O ATOM 0 H GLY A 81 -4.926 5.639 5.278 1.00 0.65 H new ATOM 0 HA2 GLY A 81 -6.074 7.548 3.457 1.00 0.67 H new ATOM 0 HA3 GLY A 81 -4.357 7.786 3.713 1.00 0.67 H new ATOM 1261 N TYR A 82 -3.815 6.150 1.895 1.00 0.55 N ATOM 1262 CA TYR A 82 -3.624 5.348 0.684 1.00 0.55 C ATOM 1263 C TYR A 82 -3.124 3.951 1.013 1.00 0.60 C ATOM 1264 O TYR A 82 -2.381 3.738 1.962 1.00 0.68 O ATOM 1265 CB TYR A 82 -2.674 6.019 -0.316 1.00 0.66 C ATOM 1266 CG TYR A 82 -3.211 7.296 -0.917 1.00 0.62 C ATOM 1267 CD1 TYR A 82 -4.131 7.213 -1.973 1.00 1.85 C ATOM 1268 CD2 TYR A 82 -2.777 8.552 -0.454 1.00 1.58 C ATOM 1269 CE1 TYR A 82 -4.605 8.380 -2.587 1.00 1.84 C ATOM 1270 CE2 TYR A 82 -3.258 9.731 -1.061 1.00 1.61 C ATOM 1271 CZ TYR A 82 -4.167 9.646 -2.140 1.00 0.64 C ATOM 1272 OH TYR A 82 -4.618 10.771 -2.760 1.00 0.69 O ATOM 0 H TYR A 82 -3.096 6.858 2.046 1.00 0.55 H new ATOM 0 HA TYR A 82 -4.605 5.269 0.215 1.00 0.55 H new ATOM 0 HB2 TYR A 82 -1.730 6.235 0.185 1.00 0.66 H new ATOM 0 HB3 TYR A 82 -2.455 5.316 -1.120 1.00 0.66 H new ATOM 0 HD1 TYR A 82 -4.475 6.247 -2.313 1.00 1.85 H new ATOM 0 HD2 TYR A 82 -2.076 8.613 0.365 1.00 1.58 H new ATOM 0 HE1 TYR A 82 -5.307 8.311 -3.405 1.00 1.84 H new ATOM 0 HE2 TYR A 82 -2.932 10.696 -0.702 1.00 1.61 H new ATOM 0 HH TYR A 82 -4.224 11.560 -2.333 1.00 0.69 H new ATOM 1282 N HIS A 83 -3.570 2.965 0.254 1.00 0.57 N ATOM 1283 CA HIS A 83 -3.177 1.578 0.468 1.00 0.58 C ATOM 1284 C HIS A 83 -3.419 0.714 -0.762 1.00 0.56 C ATOM 1285 O HIS A 83 -4.387 0.923 -1.491 1.00 0.60 O ATOM 1286 CB HIS A 83 -3.881 1.000 1.697 1.00 0.57 C ATOM 1287 CG HIS A 83 -5.374 1.028 1.605 1.00 0.52 C ATOM 1288 ND1 HIS A 83 -6.173 2.144 1.739 1.00 0.52 N ATOM 1289 CD2 HIS A 83 -6.169 -0.012 1.219 1.00 0.53 C ATOM 1290 CE1 HIS A 83 -7.422 1.797 1.406 1.00 0.52 C ATOM 1291 NE2 HIS A 83 -7.466 0.487 1.110 1.00 0.53 N ATOM 0 H HIS A 83 -4.213 3.100 -0.526 1.00 0.57 H new ATOM 0 HA HIS A 83 -2.102 1.570 0.651 1.00 0.58 H new ATOM 0 HB2 HIS A 83 -3.554 -0.030 1.841 1.00 0.57 H new ATOM 0 HB3 HIS A 83 -3.570 1.559 2.579 1.00 0.57 H new ATOM 0 HD1 HIS A 83 -5.867 3.070 2.039 1.00 0.52 H new ATOM 0 HD2 HIS A 83 -5.853 -1.028 1.033 1.00 0.53 H new ATOM 0 HE1 HIS A 83 -8.267 2.469 1.379 1.00 0.52 H new ATOM 1299 N PHE A 84 -2.615 -0.329 -0.923 1.00 0.55 N ATOM 1300 CA PHE A 84 -2.974 -1.434 -1.792 1.00 0.53 C ATOM 1301 C PHE A 84 -3.982 -2.324 -1.064 1.00 0.47 C ATOM 1302 O PHE A 84 -3.721 -2.752 0.058 1.00 0.54 O ATOM 1303 CB PHE A 84 -1.706 -2.206 -2.159 1.00 0.56 C ATOM 1304 CG PHE A 84 -0.794 -1.446 -3.096 1.00 0.62 C ATOM 1305 CD1 PHE A 84 -1.210 -1.182 -4.414 1.00 2.04 C ATOM 1306 CD2 PHE A 84 0.444 -0.958 -2.643 1.00 1.37 C ATOM 1307 CE1 PHE A 84 -0.394 -0.427 -5.270 1.00 2.11 C ATOM 1308 CE2 PHE A 84 1.249 -0.181 -3.492 1.00 1.35 C ATOM 1309 CZ PHE A 84 0.823 0.095 -4.800 1.00 0.80 C ATOM 0 H PHE A 84 -1.711 -0.430 -0.462 1.00 0.55 H new ATOM 0 HA PHE A 84 -3.434 -1.075 -2.713 1.00 0.53 H new ATOM 0 HB2 PHE A 84 -1.159 -2.448 -1.247 1.00 0.56 H new ATOM 0 HB3 PHE A 84 -1.986 -3.152 -2.623 1.00 0.56 H new ATOM 0 HD1 PHE A 84 -2.158 -1.561 -4.767 1.00 2.04 H new ATOM 0 HD2 PHE A 84 0.777 -1.181 -1.640 1.00 1.37 H new ATOM 0 HE1 PHE A 84 -0.701 -0.247 -6.290 1.00 2.11 H new ATOM 0 HE2 PHE A 84 2.194 0.203 -3.139 1.00 1.35 H new ATOM 0 HZ PHE A 84 1.432 0.710 -5.447 1.00 0.80 H new ATOM 1319 N MET A 85 -5.110 -2.634 -1.692 1.00 0.50 N ATOM 1320 CA MET A 85 -5.966 -3.773 -1.339 1.00 0.45 C ATOM 1321 C MET A 85 -5.342 -5.030 -1.943 1.00 0.42 C ATOM 1322 O MET A 85 -5.011 -5.028 -3.124 1.00 0.45 O ATOM 1323 CB MET A 85 -7.389 -3.571 -1.862 1.00 0.51 C ATOM 1324 CG MET A 85 -8.428 -4.034 -0.830 1.00 0.66 C ATOM 1325 SD MET A 85 -8.585 -2.949 0.622 1.00 0.75 S ATOM 1326 CE MET A 85 -9.487 -4.044 1.760 1.00 0.81 C ATOM 0 H MET A 85 -5.468 -2.092 -2.479 1.00 0.50 H new ATOM 0 HA MET A 85 -6.034 -3.868 -0.255 1.00 0.45 H new ATOM 0 HB2 MET A 85 -7.548 -2.518 -2.096 1.00 0.51 H new ATOM 0 HB3 MET A 85 -7.521 -4.127 -2.790 1.00 0.51 H new ATOM 0 HG2 MET A 85 -9.399 -4.108 -1.319 1.00 0.66 H new ATOM 0 HG3 MET A 85 -8.164 -5.036 -0.492 1.00 0.66 H new ATOM 0 HE1 MET A 85 -9.663 -3.525 2.702 1.00 0.81 H new ATOM 0 HE2 MET A 85 -10.442 -4.323 1.316 1.00 0.81 H new ATOM 0 HE3 MET A 85 -8.897 -4.942 1.945 1.00 0.81 H new ATOM 1336 N LEU A 86 -5.151 -6.079 -1.143 1.00 0.47 N ATOM 1337 CA LEU A 86 -4.532 -7.336 -1.565 1.00 0.48 C ATOM 1338 C LEU A 86 -5.609 -8.420 -1.580 1.00 0.51 C ATOM 1339 O LEU A 86 -6.164 -8.748 -0.533 1.00 0.58 O ATOM 1340 CB LEU A 86 -3.406 -7.710 -0.585 1.00 0.51 C ATOM 1341 CG LEU A 86 -2.028 -7.060 -0.813 1.00 0.54 C ATOM 1342 CD1 LEU A 86 -2.022 -5.540 -0.595 1.00 1.07 C ATOM 1343 CD2 LEU A 86 -1.023 -7.686 0.164 1.00 1.14 C ATOM 0 H LEU A 86 -5.428 -6.079 -0.161 1.00 0.47 H new ATOM 0 HA LEU A 86 -4.101 -7.234 -2.561 1.00 0.48 H new ATOM 0 HB2 LEU A 86 -3.737 -7.456 0.422 1.00 0.51 H new ATOM 0 HB3 LEU A 86 -3.278 -8.792 -0.615 1.00 0.51 H new ATOM 0 HG LEU A 86 -1.763 -7.240 -1.855 1.00 0.54 H new ATOM 0 HD11 LEU A 86 -1.019 -5.151 -0.773 1.00 1.07 H new ATOM 0 HD12 LEU A 86 -2.722 -5.070 -1.287 1.00 1.07 H new ATOM 0 HD13 LEU A 86 -2.321 -5.318 0.430 1.00 1.07 H new ATOM 0 HD21 LEU A 86 -0.042 -7.236 0.015 1.00 1.14 H new ATOM 0 HD22 LEU A 86 -1.352 -7.508 1.188 1.00 1.14 H new ATOM 0 HD23 LEU A 86 -0.961 -8.759 -0.016 1.00 1.14 H new ATOM 1355 N LEU A 87 -5.924 -8.966 -2.753 1.00 0.56 N ATOM 1356 CA LEU A 87 -6.992 -9.947 -2.955 1.00 0.61 C ATOM 1357 C LEU A 87 -6.440 -11.253 -3.542 1.00 0.52 C ATOM 1358 O LEU A 87 -5.464 -11.278 -4.288 1.00 0.61 O ATOM 1359 CB LEU A 87 -8.076 -9.341 -3.872 1.00 0.86 C ATOM 1360 CG LEU A 87 -9.164 -8.533 -3.139 1.00 1.32 C ATOM 1361 CD1 LEU A 87 -8.699 -7.154 -2.647 1.00 1.77 C ATOM 1362 CD2 LEU A 87 -10.375 -8.338 -4.057 1.00 2.22 C ATOM 0 H LEU A 87 -5.430 -8.732 -3.614 1.00 0.56 H new ATOM 0 HA LEU A 87 -7.437 -10.190 -1.990 1.00 0.61 H new ATOM 0 HB2 LEU A 87 -7.593 -8.693 -4.603 1.00 0.86 H new ATOM 0 HB3 LEU A 87 -8.554 -10.148 -4.428 1.00 0.86 H new ATOM 0 HG LEU A 87 -9.420 -9.119 -2.256 1.00 1.32 H new ATOM 0 HD11 LEU A 87 -9.524 -6.651 -2.142 1.00 1.77 H new ATOM 0 HD12 LEU A 87 -7.869 -7.277 -1.952 1.00 1.77 H new ATOM 0 HD13 LEU A 87 -8.374 -6.555 -3.498 1.00 1.77 H new ATOM 0 HD21 LEU A 87 -11.141 -7.766 -3.533 1.00 2.22 H new ATOM 0 HD22 LEU A 87 -10.069 -7.798 -4.953 1.00 2.22 H new ATOM 0 HD23 LEU A 87 -10.778 -9.311 -4.339 1.00 2.22 H new ATOM 1374 N GLY A 88 -7.089 -12.368 -3.212 1.00 0.53 N ATOM 1375 CA GLY A 88 -6.712 -13.704 -3.671 1.00 0.66 C ATOM 1376 C GLY A 88 -5.474 -14.210 -2.942 1.00 0.85 C ATOM 1377 O GLY A 88 -4.510 -14.606 -3.591 1.00 1.80 O ATOM 0 H GLY A 88 -7.909 -12.368 -2.605 1.00 0.53 H new ATOM 0 HA2 GLY A 88 -7.540 -14.394 -3.508 1.00 0.66 H new ATOM 0 HA3 GLY A 88 -6.521 -13.682 -4.744 1.00 0.66 H new ATOM 1381 N LEU A 89 -5.469 -14.117 -1.608 1.00 0.48 N ATOM 1382 CA LEU A 89 -4.386 -14.590 -0.745 1.00 0.50 C ATOM 1383 C LEU A 89 -3.971 -16.034 -0.991 1.00 0.55 C ATOM 1384 O LEU A 89 -4.733 -16.893 -1.425 1.00 0.69 O ATOM 1385 CB LEU A 89 -4.639 -14.425 0.758 1.00 0.54 C ATOM 1386 CG LEU A 89 -5.251 -13.109 1.282 1.00 0.58 C ATOM 1387 CD1 LEU A 89 -5.051 -13.050 2.802 1.00 0.65 C ATOM 1388 CD2 LEU A 89 -4.674 -11.824 0.665 1.00 0.54 C ATOM 0 H LEU A 89 -6.240 -13.699 -1.087 1.00 0.48 H new ATOM 0 HA LEU A 89 -3.574 -13.925 -1.039 1.00 0.50 H new ATOM 0 HB2 LEU A 89 -5.294 -15.238 1.071 1.00 0.54 H new ATOM 0 HB3 LEU A 89 -3.686 -14.569 1.268 1.00 0.54 H new ATOM 0 HG LEU A 89 -6.301 -13.134 0.991 1.00 0.58 H new ATOM 0 HD11 LEU A 89 -5.478 -12.125 3.190 1.00 0.65 H new ATOM 0 HD12 LEU A 89 -5.547 -13.902 3.268 1.00 0.65 H new ATOM 0 HD13 LEU A 89 -3.986 -13.081 3.030 1.00 0.65 H new ATOM 0 HD21 LEU A 89 -5.171 -10.957 1.100 1.00 0.54 H new ATOM 0 HD22 LEU A 89 -3.605 -11.770 0.870 1.00 0.54 H new ATOM 0 HD23 LEU A 89 -4.837 -11.833 -0.413 1.00 0.54 H new ATOM 1400 N LYS A 90 -2.706 -16.265 -0.655 1.00 0.54 N ATOM 1401 CA LYS A 90 -1.991 -17.481 -1.016 1.00 0.54 C ATOM 1402 C LYS A 90 -1.445 -18.296 0.159 1.00 0.70 C ATOM 1403 O LYS A 90 -1.021 -19.442 -0.005 1.00 0.96 O ATOM 1404 CB LYS A 90 -0.863 -17.066 -1.922 1.00 0.59 C ATOM 1405 CG LYS A 90 -1.453 -16.655 -3.273 1.00 0.78 C ATOM 1406 CD LYS A 90 -0.316 -16.059 -4.064 1.00 1.98 C ATOM 1407 CE LYS A 90 -0.742 -15.688 -5.481 1.00 1.71 C ATOM 1408 NZ LYS A 90 -1.017 -16.881 -6.310 1.00 2.21 N ATOM 0 H LYS A 90 -2.143 -15.605 -0.118 1.00 0.54 H new ATOM 0 HA LYS A 90 -2.704 -18.152 -1.496 1.00 0.54 H new ATOM 0 HB2 LYS A 90 -0.309 -16.237 -1.482 1.00 0.59 H new ATOM 0 HB3 LYS A 90 -0.158 -17.887 -2.050 1.00 0.59 H new ATOM 0 HG2 LYS A 90 -1.878 -17.515 -3.790 1.00 0.78 H new ATOM 0 HG3 LYS A 90 -2.258 -15.932 -3.143 1.00 0.78 H new ATOM 0 HD2 LYS A 90 0.056 -15.171 -3.553 1.00 1.98 H new ATOM 0 HD3 LYS A 90 0.508 -16.771 -4.107 1.00 1.98 H new ATOM 0 HE2 LYS A 90 -1.634 -15.063 -5.439 1.00 1.71 H new ATOM 0 HE3 LYS A 90 0.042 -15.094 -5.951 1.00 1.71 H new ATOM 0 HZ1 LYS A 90 -0.305 -16.951 -7.065 1.00 2.21 H new ATOM 0 HZ2 LYS A 90 -0.976 -17.734 -5.716 1.00 2.21 H new ATOM 0 HZ3 LYS A 90 -1.963 -16.799 -6.733 1.00 2.21 H new ATOM 1422 N ARG A 91 -1.374 -17.673 1.337 1.00 0.81 N ATOM 1423 CA ARG A 91 -0.765 -18.232 2.540 1.00 1.16 C ATOM 1424 C ARG A 91 -1.664 -18.013 3.768 1.00 1.60 C ATOM 1425 O ARG A 91 -2.257 -16.941 3.859 1.00 1.68 O ATOM 1426 CB ARG A 91 0.585 -17.526 2.768 1.00 1.19 C ATOM 1427 CG ARG A 91 1.633 -17.735 1.655 1.00 1.75 C ATOM 1428 CD ARG A 91 2.029 -19.196 1.400 1.00 2.99 C ATOM 1429 NE ARG A 91 2.862 -19.737 2.487 1.00 3.40 N ATOM 1430 CZ ARG A 91 3.140 -21.018 2.696 1.00 4.45 C ATOM 1431 NH1 ARG A 91 2.555 -21.978 2.008 1.00 5.24 N ATOM 1432 NH2 ARG A 91 4.031 -21.355 3.607 1.00 5.17 N ATOM 0 H ARG A 91 -1.751 -16.736 1.482 1.00 0.81 H new ATOM 0 HA ARG A 91 -0.628 -19.305 2.406 1.00 1.16 H new ATOM 0 HB2 ARG A 91 0.404 -16.457 2.878 1.00 1.19 H new ATOM 0 HB3 ARG A 91 1.005 -17.876 3.711 1.00 1.19 H new ATOM 0 HG2 ARG A 91 1.245 -17.313 0.728 1.00 1.75 H new ATOM 0 HG3 ARG A 91 2.530 -17.171 1.911 1.00 1.75 H new ATOM 0 HD2 ARG A 91 1.130 -19.803 1.295 1.00 2.99 H new ATOM 0 HD3 ARG A 91 2.572 -19.266 0.457 1.00 2.99 H new ATOM 0 HE ARG A 91 3.263 -19.064 3.141 1.00 3.40 H new ATOM 0 HH11 ARG A 91 1.867 -21.746 1.292 1.00 5.24 H new ATOM 0 HH12 ARG A 91 2.790 -22.953 2.192 1.00 5.24 H new ATOM 0 HH21 ARG A 91 4.505 -20.632 4.149 1.00 5.17 H new ATOM 0 HH22 ARG A 91 4.247 -22.338 3.770 1.00 5.17 H new ATOM 1446 N PRO A 92 -1.716 -18.958 4.727 1.00 2.17 N ATOM 1447 CA PRO A 92 -2.199 -18.681 6.070 1.00 2.71 C ATOM 1448 C PRO A 92 -1.129 -17.844 6.783 1.00 2.62 C ATOM 1449 O PRO A 92 -0.168 -18.372 7.341 1.00 2.78 O ATOM 1450 CB PRO A 92 -2.436 -20.054 6.705 1.00 3.30 C ATOM 1451 CG PRO A 92 -1.399 -20.950 6.024 1.00 3.17 C ATOM 1452 CD PRO A 92 -1.235 -20.332 4.634 1.00 2.48 C ATOM 0 HA PRO A 92 -3.125 -18.108 6.117 1.00 2.71 H new ATOM 0 HB2 PRO A 92 -2.294 -20.026 7.785 1.00 3.30 H new ATOM 0 HB3 PRO A 92 -3.451 -20.408 6.526 1.00 3.30 H new ATOM 0 HG2 PRO A 92 -0.457 -20.958 6.572 1.00 3.17 H new ATOM 0 HG3 PRO A 92 -1.741 -21.983 5.964 1.00 3.17 H new ATOM 0 HD2 PRO A 92 -0.191 -20.356 4.320 1.00 2.48 H new ATOM 0 HD3 PRO A 92 -1.804 -20.892 3.892 1.00 2.48 H new ATOM 1460 N LEU A 93 -1.276 -16.523 6.688 1.00 2.45 N ATOM 1461 CA LEU A 93 -0.408 -15.511 7.292 1.00 2.23 C ATOM 1462 C LEU A 93 -0.746 -15.285 8.772 1.00 2.21 C ATOM 1463 O LEU A 93 -1.865 -15.554 9.202 1.00 2.78 O ATOM 1464 CB LEU A 93 -0.447 -14.210 6.454 1.00 2.23 C ATOM 1465 CG LEU A 93 -1.789 -13.440 6.337 1.00 2.03 C ATOM 1466 CD1 LEU A 93 -1.556 -12.113 5.598 1.00 2.00 C ATOM 1467 CD2 LEU A 93 -2.882 -14.183 5.549 1.00 2.78 C ATOM 0 H LEU A 93 -2.044 -16.108 6.160 1.00 2.45 H new ATOM 0 HA LEU A 93 0.620 -15.874 7.279 1.00 2.23 H new ATOM 0 HB2 LEU A 93 0.292 -13.526 6.871 1.00 2.23 H new ATOM 0 HB3 LEU A 93 -0.118 -14.457 5.444 1.00 2.23 H new ATOM 0 HG LEU A 93 -2.132 -13.311 7.364 1.00 2.03 H new ATOM 0 HD11 LEU A 93 -2.499 -11.572 5.516 1.00 2.00 H new ATOM 0 HD12 LEU A 93 -0.838 -11.509 6.153 1.00 2.00 H new ATOM 0 HD13 LEU A 93 -1.166 -12.316 4.601 1.00 2.00 H new ATOM 0 HD21 LEU A 93 -3.785 -13.574 5.516 1.00 2.78 H new ATOM 0 HD22 LEU A 93 -2.534 -14.371 4.533 1.00 2.78 H new ATOM 0 HD23 LEU A 93 -3.102 -15.132 6.038 1.00 2.78 H new ATOM 1479 N LYS A 94 0.207 -14.798 9.571 1.00 1.76 N ATOM 1480 CA LYS A 94 -0.051 -14.260 10.921 1.00 1.56 C ATOM 1481 C LYS A 94 0.222 -12.758 10.986 1.00 1.19 C ATOM 1482 O LYS A 94 0.939 -12.184 10.171 1.00 1.77 O ATOM 1483 CB LYS A 94 0.742 -14.948 12.065 1.00 2.10 C ATOM 1484 CG LYS A 94 1.310 -16.350 11.856 1.00 2.53 C ATOM 1485 CD LYS A 94 0.287 -17.421 11.463 1.00 2.08 C ATOM 1486 CE LYS A 94 0.987 -18.592 10.751 1.00 2.88 C ATOM 1487 NZ LYS A 94 1.611 -18.184 9.465 1.00 3.56 N ATOM 0 H LYS A 94 1.190 -14.763 9.302 1.00 1.76 H new ATOM 0 HA LYS A 94 -1.107 -14.474 11.086 1.00 1.56 H new ATOM 0 HB2 LYS A 94 1.575 -14.294 12.322 1.00 2.10 H new ATOM 0 HB3 LYS A 94 0.088 -14.988 12.936 1.00 2.10 H new ATOM 0 HG2 LYS A 94 2.076 -16.302 11.082 1.00 2.53 H new ATOM 0 HG3 LYS A 94 1.805 -16.664 12.775 1.00 2.53 H new ATOM 0 HD2 LYS A 94 -0.230 -17.783 12.352 1.00 2.08 H new ATOM 0 HD3 LYS A 94 -0.470 -16.988 10.808 1.00 2.08 H new ATOM 0 HE2 LYS A 94 1.752 -19.007 11.407 1.00 2.88 H new ATOM 0 HE3 LYS A 94 0.263 -19.385 10.564 1.00 2.88 H new ATOM 0 HZ1 LYS A 94 1.266 -18.800 8.701 1.00 3.56 H new ATOM 0 HZ2 LYS A 94 1.359 -17.197 9.255 1.00 3.56 H new ATOM 0 HZ3 LYS A 94 2.645 -18.269 9.538 1.00 3.56 H new ATOM 1501 N ALA A 95 -0.270 -12.159 12.064 1.00 0.98 N ATOM 1502 CA ALA A 95 0.312 -10.937 12.601 1.00 1.09 C ATOM 1503 C ALA A 95 1.610 -11.319 13.327 1.00 1.07 C ATOM 1504 O ALA A 95 1.617 -12.269 14.110 1.00 1.23 O ATOM 1505 CB ALA A 95 -0.713 -10.285 13.532 1.00 1.46 C ATOM 0 H ALA A 95 -1.076 -12.503 12.586 1.00 0.98 H new ATOM 0 HA ALA A 95 0.557 -10.214 11.823 1.00 1.09 H new ATOM 0 HB1 ALA A 95 -0.296 -9.367 13.946 1.00 1.46 H new ATOM 0 HB2 ALA A 95 -1.618 -10.052 12.971 1.00 1.46 H new ATOM 0 HB3 ALA A 95 -0.956 -10.971 14.344 1.00 1.46 H new ATOM 1511 N GLY A 96 2.705 -10.628 13.020 1.00 1.10 N ATOM 1512 CA GLY A 96 4.049 -10.964 13.497 1.00 1.26 C ATOM 1513 C GLY A 96 4.843 -11.895 12.575 1.00 1.18 C ATOM 1514 O GLY A 96 5.788 -12.515 13.049 1.00 1.50 O ATOM 0 H GLY A 96 2.685 -9.802 12.421 1.00 1.10 H new ATOM 0 HA2 GLY A 96 4.613 -10.041 13.631 1.00 1.26 H new ATOM 0 HA3 GLY A 96 3.965 -11.432 14.478 1.00 1.26 H new ATOM 1518 N GLU A 97 4.497 -12.000 11.284 1.00 1.01 N ATOM 1519 CA GLU A 97 5.428 -12.499 10.255 1.00 1.12 C ATOM 1520 C GLU A 97 6.026 -11.314 9.486 1.00 0.96 C ATOM 1521 O GLU A 97 5.658 -10.165 9.732 1.00 0.82 O ATOM 1522 CB GLU A 97 4.749 -13.490 9.288 1.00 1.32 C ATOM 1523 CG GLU A 97 4.191 -14.699 10.052 1.00 1.73 C ATOM 1524 CD GLU A 97 3.641 -15.817 9.167 1.00 1.52 C ATOM 1525 OE1 GLU A 97 2.635 -15.605 8.459 1.00 1.75 O ATOM 1526 OE2 GLU A 97 4.031 -16.991 9.348 1.00 2.48 O ATOM 0 H GLU A 97 3.577 -11.746 10.924 1.00 1.01 H new ATOM 0 HA GLU A 97 6.225 -13.046 10.758 1.00 1.12 H new ATOM 0 HB2 GLU A 97 3.943 -12.988 8.753 1.00 1.32 H new ATOM 0 HB3 GLU A 97 5.467 -13.826 8.540 1.00 1.32 H new ATOM 0 HG2 GLU A 97 4.980 -15.109 10.683 1.00 1.73 H new ATOM 0 HG3 GLU A 97 3.398 -14.357 10.716 1.00 1.73 H new ATOM 1533 N GLU A 98 6.906 -11.580 8.527 1.00 1.13 N ATOM 1534 CA GLU A 98 7.576 -10.628 7.658 1.00 1.12 C ATOM 1535 C GLU A 98 7.448 -11.193 6.250 1.00 1.23 C ATOM 1536 O GLU A 98 7.738 -12.363 6.013 1.00 1.66 O ATOM 1537 CB GLU A 98 9.056 -10.439 8.022 1.00 1.29 C ATOM 1538 CG GLU A 98 9.240 -9.702 9.352 1.00 2.32 C ATOM 1539 CD GLU A 98 10.707 -9.346 9.582 1.00 2.73 C ATOM 1540 OE1 GLU A 98 11.445 -10.234 10.058 1.00 3.12 O ATOM 1541 OE2 GLU A 98 11.065 -8.193 9.263 1.00 3.67 O ATOM 0 H GLU A 98 7.188 -12.539 8.324 1.00 1.13 H new ATOM 0 HA GLU A 98 7.120 -9.643 7.756 1.00 1.12 H new ATOM 0 HB2 GLU A 98 9.541 -11.414 8.080 1.00 1.29 H new ATOM 0 HB3 GLU A 98 9.554 -9.882 7.229 1.00 1.29 H new ATOM 0 HG2 GLU A 98 8.637 -8.794 9.355 1.00 2.32 H new ATOM 0 HG3 GLU A 98 8.881 -10.326 10.170 1.00 2.32 H new ATOM 1548 N VAL A 99 6.929 -10.361 5.359 1.00 0.90 N ATOM 1549 CA VAL A 99 6.517 -10.686 3.987 1.00 0.94 C ATOM 1550 C VAL A 99 6.740 -9.451 3.117 1.00 0.65 C ATOM 1551 O VAL A 99 6.581 -8.323 3.581 1.00 0.76 O ATOM 1552 CB VAL A 99 5.028 -11.099 3.922 1.00 1.27 C ATOM 1553 CG1 VAL A 99 4.553 -11.378 2.487 1.00 1.47 C ATOM 1554 CG2 VAL A 99 4.714 -12.356 4.759 1.00 1.76 C ATOM 0 H VAL A 99 6.772 -9.378 5.581 1.00 0.90 H new ATOM 0 HA VAL A 99 7.109 -11.529 3.631 1.00 0.94 H new ATOM 0 HB VAL A 99 4.498 -10.240 4.333 1.00 1.27 H new ATOM 0 HG11 VAL A 99 3.501 -11.664 2.501 1.00 1.47 H new ATOM 0 HG12 VAL A 99 4.677 -10.480 1.882 1.00 1.47 H new ATOM 0 HG13 VAL A 99 5.143 -12.188 2.059 1.00 1.47 H new ATOM 0 HG21 VAL A 99 3.654 -12.595 4.673 1.00 1.76 H new ATOM 0 HG22 VAL A 99 5.306 -13.195 4.392 1.00 1.76 H new ATOM 0 HG23 VAL A 99 4.960 -12.168 5.804 1.00 1.76 H new ATOM 1564 N GLU A 100 7.117 -9.657 1.861 1.00 0.69 N ATOM 1565 CA GLU A 100 7.535 -8.586 0.958 1.00 0.79 C ATOM 1566 C GLU A 100 6.467 -8.186 -0.081 1.00 0.63 C ATOM 1567 O GLU A 100 5.622 -8.971 -0.525 1.00 0.59 O ATOM 1568 CB GLU A 100 8.918 -8.872 0.327 1.00 1.25 C ATOM 1569 CG GLU A 100 9.418 -10.320 0.309 1.00 1.57 C ATOM 1570 CD GLU A 100 8.462 -11.207 -0.467 1.00 2.01 C ATOM 1571 OE1 GLU A 100 8.513 -11.148 -1.718 1.00 2.30 O ATOM 1572 OE2 GLU A 100 7.651 -11.869 0.209 1.00 3.65 O ATOM 0 H GLU A 100 7.142 -10.583 1.434 1.00 0.69 H new ATOM 0 HA GLU A 100 7.648 -7.700 1.582 1.00 0.79 H new ATOM 0 HB2 GLU A 100 8.895 -8.514 -0.702 1.00 1.25 H new ATOM 0 HB3 GLU A 100 9.657 -8.271 0.857 1.00 1.25 H new ATOM 0 HG2 GLU A 100 10.409 -10.362 -0.143 1.00 1.57 H new ATOM 0 HG3 GLU A 100 9.517 -10.689 1.330 1.00 1.57 H new ATOM 1579 N LEU A 101 6.538 -6.914 -0.485 1.00 0.70 N ATOM 1580 CA LEU A 101 5.764 -6.326 -1.578 1.00 0.66 C ATOM 1581 C LEU A 101 6.702 -5.818 -2.670 1.00 0.63 C ATOM 1582 O LEU A 101 7.687 -5.136 -2.392 1.00 0.73 O ATOM 1583 CB LEU A 101 4.881 -5.167 -1.065 1.00 0.71 C ATOM 1584 CG LEU A 101 3.418 -5.583 -0.814 1.00 0.95 C ATOM 1585 CD1 LEU A 101 3.262 -6.506 0.399 1.00 1.69 C ATOM 1586 CD2 LEU A 101 2.547 -4.339 -0.613 1.00 1.84 C ATOM 0 H LEU A 101 7.162 -6.240 -0.040 1.00 0.70 H new ATOM 0 HA LEU A 101 5.115 -7.098 -1.991 1.00 0.66 H new ATOM 0 HB2 LEU A 101 5.305 -4.778 -0.139 1.00 0.71 H new ATOM 0 HB3 LEU A 101 4.901 -4.354 -1.791 1.00 0.71 H new ATOM 0 HG LEU A 101 3.095 -6.139 -1.695 1.00 0.95 H new ATOM 0 HD11 LEU A 101 2.211 -6.765 0.526 1.00 1.69 H new ATOM 0 HD12 LEU A 101 3.844 -7.414 0.242 1.00 1.69 H new ATOM 0 HD13 LEU A 101 3.620 -5.996 1.293 1.00 1.69 H new ATOM 0 HD21 LEU A 101 1.515 -4.642 -0.436 1.00 1.84 H new ATOM 0 HD22 LEU A 101 2.911 -3.774 0.245 1.00 1.84 H new ATOM 0 HD23 LEU A 101 2.594 -3.714 -1.505 1.00 1.84 H new ATOM 1598 N ASP A 102 6.366 -6.124 -3.917 1.00 0.63 N ATOM 1599 CA ASP A 102 6.896 -5.499 -5.128 1.00 0.65 C ATOM 1600 C ASP A 102 6.137 -4.188 -5.364 1.00 0.67 C ATOM 1601 O ASP A 102 4.907 -4.203 -5.355 1.00 0.87 O ATOM 1602 CB ASP A 102 6.638 -6.443 -6.318 1.00 0.80 C ATOM 1603 CG ASP A 102 7.163 -7.854 -6.081 1.00 1.35 C ATOM 1604 OD1 ASP A 102 8.370 -8.056 -6.321 1.00 1.50 O ATOM 1605 OD2 ASP A 102 6.395 -8.720 -5.594 1.00 2.95 O ATOM 0 H ASP A 102 5.682 -6.852 -4.124 1.00 0.63 H new ATOM 0 HA ASP A 102 7.964 -5.306 -5.026 1.00 0.65 H new ATOM 0 HB2 ASP A 102 5.567 -6.488 -6.514 1.00 0.80 H new ATOM 0 HB3 ASP A 102 7.109 -6.031 -7.211 1.00 0.80 H new ATOM 1610 N LEU A 103 6.810 -3.060 -5.604 1.00 0.62 N ATOM 1611 CA LEU A 103 6.168 -1.826 -6.068 1.00 0.65 C ATOM 1612 C LEU A 103 6.499 -1.552 -7.532 1.00 0.55 C ATOM 1613 O LEU A 103 7.654 -1.666 -7.945 1.00 0.63 O ATOM 1614 CB LEU A 103 6.576 -0.636 -5.189 1.00 0.88 C ATOM 1615 CG LEU A 103 5.809 -0.600 -3.858 1.00 1.24 C ATOM 1616 CD1 LEU A 103 6.380 -1.566 -2.819 1.00 1.27 C ATOM 1617 CD2 LEU A 103 5.837 0.814 -3.268 1.00 1.79 C ATOM 0 H LEU A 103 7.819 -2.976 -5.482 1.00 0.62 H new ATOM 0 HA LEU A 103 5.089 -1.959 -5.986 1.00 0.65 H new ATOM 0 HB2 LEU A 103 7.646 -0.687 -4.987 1.00 0.88 H new ATOM 0 HB3 LEU A 103 6.398 0.292 -5.733 1.00 0.88 H new ATOM 0 HG LEU A 103 4.788 -0.907 -4.085 1.00 1.24 H new ATOM 0 HD11 LEU A 103 5.798 -1.497 -1.900 1.00 1.27 H new ATOM 0 HD12 LEU A 103 6.331 -2.585 -3.204 1.00 1.27 H new ATOM 0 HD13 LEU A 103 7.418 -1.306 -2.612 1.00 1.27 H new ATOM 0 HD21 LEU A 103 5.290 0.826 -2.325 1.00 1.79 H new ATOM 0 HD22 LEU A 103 6.870 1.114 -3.092 1.00 1.79 H new ATOM 0 HD23 LEU A 103 5.371 1.509 -3.966 1.00 1.79 H new ATOM 1629 N LEU A 104 5.472 -1.173 -8.299 1.00 0.47 N ATOM 1630 CA LEU A 104 5.532 -0.907 -9.729 1.00 0.44 C ATOM 1631 C LEU A 104 5.351 0.597 -9.972 1.00 0.55 C ATOM 1632 O LEU A 104 4.287 1.181 -9.722 1.00 0.59 O ATOM 1633 CB LEU A 104 4.442 -1.729 -10.445 1.00 0.40 C ATOM 1634 CG LEU A 104 4.444 -3.250 -10.165 1.00 0.41 C ATOM 1635 CD1 LEU A 104 3.284 -3.914 -10.920 1.00 0.60 C ATOM 1636 CD2 LEU A 104 5.766 -3.924 -10.555 1.00 0.48 C ATOM 0 H LEU A 104 4.536 -1.039 -7.917 1.00 0.47 H new ATOM 0 HA LEU A 104 6.501 -1.203 -10.131 1.00 0.44 H new ATOM 0 HB2 LEU A 104 3.469 -1.329 -10.161 1.00 0.40 H new ATOM 0 HB3 LEU A 104 4.548 -1.578 -11.519 1.00 0.40 H new ATOM 0 HG LEU A 104 4.323 -3.380 -9.090 1.00 0.41 H new ATOM 0 HD11 LEU A 104 3.287 -4.986 -10.722 1.00 0.60 H new ATOM 0 HD12 LEU A 104 2.339 -3.486 -10.585 1.00 0.60 H new ATOM 0 HD13 LEU A 104 3.401 -3.743 -11.990 1.00 0.60 H new ATOM 0 HD21 LEU A 104 5.709 -4.990 -10.336 1.00 0.48 H new ATOM 0 HD22 LEU A 104 5.947 -3.781 -11.620 1.00 0.48 H new ATOM 0 HD23 LEU A 104 6.583 -3.480 -9.986 1.00 0.48 H new ATOM 1648 N PHE A 105 6.405 1.236 -10.468 1.00 0.66 N ATOM 1649 CA PHE A 105 6.450 2.661 -10.764 1.00 0.77 C ATOM 1650 C PHE A 105 6.537 2.894 -12.285 1.00 0.68 C ATOM 1651 O PHE A 105 6.995 2.037 -13.039 1.00 0.91 O ATOM 1652 CB PHE A 105 7.660 3.276 -10.051 1.00 0.98 C ATOM 1653 CG PHE A 105 7.682 3.143 -8.540 1.00 1.02 C ATOM 1654 CD1 PHE A 105 8.300 2.029 -7.941 1.00 1.67 C ATOM 1655 CD2 PHE A 105 7.139 4.154 -7.724 1.00 2.33 C ATOM 1656 CE1 PHE A 105 8.367 1.927 -6.543 1.00 1.78 C ATOM 1657 CE2 PHE A 105 7.216 4.057 -6.326 1.00 2.33 C ATOM 1658 CZ PHE A 105 7.823 2.938 -5.733 1.00 1.19 C ATOM 0 H PHE A 105 7.281 0.759 -10.682 1.00 0.66 H new ATOM 0 HA PHE A 105 5.537 3.139 -10.407 1.00 0.77 H new ATOM 0 HB2 PHE A 105 8.564 2.815 -10.449 1.00 0.98 H new ATOM 0 HB3 PHE A 105 7.705 4.336 -10.303 1.00 0.98 H new ATOM 0 HD1 PHE A 105 8.724 1.251 -8.559 1.00 1.67 H new ATOM 0 HD2 PHE A 105 6.660 5.010 -8.177 1.00 2.33 H new ATOM 0 HE1 PHE A 105 8.838 1.068 -6.088 1.00 1.78 H new ATOM 0 HE2 PHE A 105 6.809 4.842 -5.707 1.00 2.33 H new ATOM 0 HZ PHE A 105 7.872 2.855 -4.657 1.00 1.19 H new ATOM 1668 N ALA A 106 6.141 4.086 -12.740 1.00 0.59 N ATOM 1669 CA ALA A 106 6.321 4.494 -14.136 1.00 0.63 C ATOM 1670 C ALA A 106 7.813 4.535 -14.542 1.00 1.71 C ATOM 1671 O ALA A 106 8.679 4.831 -13.718 1.00 2.68 O ATOM 1672 CB ALA A 106 5.633 5.850 -14.351 1.00 1.12 C ATOM 0 H ALA A 106 5.690 4.790 -12.156 1.00 0.59 H new ATOM 0 HA ALA A 106 5.857 3.750 -14.784 1.00 0.63 H new ATOM 0 HB1 ALA A 106 5.761 6.163 -15.387 1.00 1.12 H new ATOM 0 HB2 ALA A 106 4.570 5.758 -14.129 1.00 1.12 H new ATOM 0 HB3 ALA A 106 6.079 6.593 -13.690 1.00 1.12 H new ATOM 1678 N GLY A 107 8.115 4.250 -15.819 1.00 2.48 N ATOM 1679 CA GLY A 107 9.475 4.337 -16.375 1.00 3.62 C ATOM 1680 C GLY A 107 10.330 3.076 -16.200 1.00 3.11 C ATOM 1681 O GLY A 107 11.553 3.180 -16.202 1.00 4.12 O ATOM 0 H GLY A 107 7.417 3.950 -16.500 1.00 2.48 H new ATOM 0 HA2 GLY A 107 9.402 4.563 -17.439 1.00 3.62 H new ATOM 0 HA3 GLY A 107 9.990 5.175 -15.905 1.00 3.62 H new ATOM 1685 N GLY A 108 9.715 1.897 -16.022 1.00 1.79 N ATOM 1686 CA GLY A 108 10.431 0.616 -15.880 1.00 1.64 C ATOM 1687 C GLY A 108 10.993 0.368 -14.477 1.00 1.46 C ATOM 1688 O GLY A 108 11.721 -0.595 -14.248 1.00 1.81 O ATOM 0 H GLY A 108 8.701 1.803 -15.972 1.00 1.79 H new ATOM 0 HA2 GLY A 108 9.753 -0.198 -16.138 1.00 1.64 H new ATOM 0 HA3 GLY A 108 11.250 0.588 -16.598 1.00 1.64 H new ATOM 1692 N LYS A 109 10.657 1.228 -13.514 1.00 1.26 N ATOM 1693 CA LYS A 109 11.087 1.099 -12.123 1.00 1.28 C ATOM 1694 C LYS A 109 10.254 0.045 -11.374 1.00 0.95 C ATOM 1695 O LYS A 109 9.050 0.206 -11.195 1.00 0.90 O ATOM 1696 CB LYS A 109 10.961 2.470 -11.446 1.00 1.43 C ATOM 1697 CG LYS A 109 12.168 3.388 -11.648 1.00 2.04 C ATOM 1698 CD LYS A 109 11.754 4.796 -11.178 1.00 2.40 C ATOM 1699 CE LYS A 109 12.896 5.824 -11.151 1.00 3.20 C ATOM 1700 NZ LYS A 109 12.492 7.074 -10.443 1.00 4.54 N ATOM 0 H LYS A 109 10.070 2.045 -13.682 1.00 1.26 H new ATOM 0 HA LYS A 109 12.124 0.764 -12.097 1.00 1.28 H new ATOM 0 HB2 LYS A 109 10.071 2.970 -11.829 1.00 1.43 H new ATOM 0 HB3 LYS A 109 10.808 2.321 -10.377 1.00 1.43 H new ATOM 0 HG2 LYS A 109 13.024 3.028 -11.078 1.00 2.04 H new ATOM 0 HG3 LYS A 109 12.467 3.405 -12.696 1.00 2.04 H new ATOM 0 HD2 LYS A 109 10.965 5.166 -11.833 1.00 2.40 H new ATOM 0 HD3 LYS A 109 11.328 4.720 -10.178 1.00 2.40 H new ATOM 0 HE2 LYS A 109 13.766 5.390 -10.657 1.00 3.20 H new ATOM 0 HE3 LYS A 109 13.195 6.063 -12.171 1.00 3.20 H new ATOM 0 HZ1 LYS A 109 13.183 7.825 -10.644 1.00 4.54 H new ATOM 0 HZ2 LYS A 109 11.551 7.371 -10.773 1.00 4.54 H new ATOM 0 HZ3 LYS A 109 12.460 6.898 -9.419 1.00 4.54 H new ATOM 1714 N VAL A 110 10.941 -0.966 -10.856 1.00 0.93 N ATOM 1715 CA VAL A 110 10.402 -1.938 -9.885 1.00 0.80 C ATOM 1716 C VAL A 110 11.290 -1.930 -8.639 1.00 0.87 C ATOM 1717 O VAL A 110 12.508 -1.784 -8.761 1.00 1.05 O ATOM 1718 CB VAL A 110 10.279 -3.367 -10.474 1.00 0.80 C ATOM 1719 CG1 VAL A 110 9.681 -4.370 -9.465 1.00 1.85 C ATOM 1720 CG2 VAL A 110 9.407 -3.361 -11.742 1.00 1.84 C ATOM 0 H VAL A 110 11.915 -1.146 -11.100 1.00 0.93 H new ATOM 0 HA VAL A 110 9.388 -1.636 -9.623 1.00 0.80 H new ATOM 0 HB VAL A 110 11.292 -3.686 -10.717 1.00 0.80 H new ATOM 0 HG11 VAL A 110 9.616 -5.355 -9.926 1.00 1.85 H new ATOM 0 HG12 VAL A 110 10.320 -4.424 -8.583 1.00 1.85 H new ATOM 0 HG13 VAL A 110 8.684 -4.040 -9.172 1.00 1.85 H new ATOM 0 HG21 VAL A 110 9.334 -4.374 -12.138 1.00 1.84 H new ATOM 0 HG22 VAL A 110 8.410 -2.995 -11.496 1.00 1.84 H new ATOM 0 HG23 VAL A 110 9.858 -2.710 -12.491 1.00 1.84 H new ATOM 1730 N LEU A 111 10.683 -2.055 -7.452 1.00 0.81 N ATOM 1731 CA LEU A 111 11.383 -2.000 -6.165 1.00 0.92 C ATOM 1732 C LEU A 111 10.634 -2.842 -5.124 1.00 0.92 C ATOM 1733 O LEU A 111 9.535 -2.493 -4.698 1.00 1.20 O ATOM 1734 CB LEU A 111 11.526 -0.515 -5.765 1.00 1.01 C ATOM 1735 CG LEU A 111 12.497 -0.193 -4.611 1.00 1.30 C ATOM 1736 CD1 LEU A 111 12.736 1.326 -4.593 1.00 2.65 C ATOM 1737 CD2 LEU A 111 11.980 -0.623 -3.231 1.00 2.31 C ATOM 0 H LEU A 111 9.678 -2.199 -7.359 1.00 0.81 H new ATOM 0 HA LEU A 111 12.383 -2.429 -6.233 1.00 0.92 H new ATOM 0 HB2 LEU A 111 11.847 0.044 -6.644 1.00 1.01 H new ATOM 0 HB3 LEU A 111 10.539 -0.141 -5.492 1.00 1.01 H new ATOM 0 HG LEU A 111 13.412 -0.756 -4.794 1.00 1.30 H new ATOM 0 HD11 LEU A 111 13.421 1.577 -3.783 1.00 2.65 H new ATOM 0 HD12 LEU A 111 13.168 1.638 -5.544 1.00 2.65 H new ATOM 0 HD13 LEU A 111 11.788 1.842 -4.439 1.00 2.65 H new ATOM 0 HD21 LEU A 111 12.716 -0.364 -2.470 1.00 2.31 H new ATOM 0 HD22 LEU A 111 11.042 -0.110 -3.018 1.00 2.31 H new ATOM 0 HD23 LEU A 111 11.814 -1.700 -3.224 1.00 2.31 H new ATOM 1749 N LYS A 112 11.242 -3.948 -4.680 1.00 0.85 N ATOM 1750 CA LYS A 112 10.674 -4.791 -3.618 1.00 0.89 C ATOM 1751 C LYS A 112 11.031 -4.264 -2.213 1.00 0.96 C ATOM 1752 O LYS A 112 12.206 -4.093 -1.885 1.00 1.11 O ATOM 1753 CB LYS A 112 11.084 -6.263 -3.840 1.00 1.07 C ATOM 1754 CG LYS A 112 10.523 -7.210 -2.760 1.00 1.69 C ATOM 1755 CD LYS A 112 10.805 -8.694 -3.045 1.00 1.73 C ATOM 1756 CE LYS A 112 9.931 -9.289 -4.158 1.00 2.35 C ATOM 1757 NZ LYS A 112 8.502 -9.404 -3.771 1.00 3.66 N ATOM 0 H LYS A 112 12.135 -4.283 -5.042 1.00 0.85 H new ATOM 0 HA LYS A 112 9.586 -4.744 -3.673 1.00 0.89 H new ATOM 0 HB2 LYS A 112 10.734 -6.589 -4.820 1.00 1.07 H new ATOM 0 HB3 LYS A 112 12.172 -6.335 -3.850 1.00 1.07 H new ATOM 0 HG2 LYS A 112 10.954 -6.945 -1.795 1.00 1.69 H new ATOM 0 HG3 LYS A 112 9.446 -7.061 -2.680 1.00 1.69 H new ATOM 0 HD2 LYS A 112 11.854 -8.809 -3.319 1.00 1.73 H new ATOM 0 HD3 LYS A 112 10.650 -9.266 -2.130 1.00 1.73 H new ATOM 0 HE2 LYS A 112 10.012 -8.666 -5.049 1.00 2.35 H new ATOM 0 HE3 LYS A 112 10.311 -10.276 -4.423 1.00 2.35 H new ATOM 0 HZ1 LYS A 112 7.955 -9.780 -4.572 1.00 3.66 H new ATOM 0 HZ2 LYS A 112 8.413 -10.047 -2.959 1.00 3.66 H new ATOM 0 HZ3 LYS A 112 8.136 -8.466 -3.511 1.00 3.66 H new ATOM 1771 N VAL A 113 10.017 -4.044 -1.377 1.00 1.03 N ATOM 1772 CA VAL A 113 10.149 -3.736 0.063 1.00 1.11 C ATOM 1773 C VAL A 113 9.945 -5.003 0.899 1.00 0.83 C ATOM 1774 O VAL A 113 9.120 -5.838 0.541 1.00 0.85 O ATOM 1775 CB VAL A 113 9.159 -2.640 0.530 1.00 1.36 C ATOM 1776 CG1 VAL A 113 9.622 -1.266 0.025 1.00 2.21 C ATOM 1777 CG2 VAL A 113 7.709 -2.894 0.105 1.00 2.86 C ATOM 0 H VAL A 113 9.045 -4.074 -1.685 1.00 1.03 H new ATOM 0 HA VAL A 113 11.158 -3.352 0.211 1.00 1.11 H new ATOM 0 HB VAL A 113 9.166 -2.666 1.620 1.00 1.36 H new ATOM 0 HG11 VAL A 113 8.921 -0.501 0.358 1.00 2.21 H new ATOM 0 HG12 VAL A 113 10.613 -1.047 0.423 1.00 2.21 H new ATOM 0 HG13 VAL A 113 9.662 -1.273 -1.064 1.00 2.21 H new ATOM 0 HG21 VAL A 113 7.076 -2.084 0.469 1.00 2.86 H new ATOM 0 HG22 VAL A 113 7.651 -2.939 -0.983 1.00 2.86 H new ATOM 0 HG23 VAL A 113 7.367 -3.839 0.526 1.00 2.86 H new ATOM 1787 N VAL A 114 10.663 -5.103 2.021 1.00 0.85 N ATOM 1788 CA VAL A 114 10.470 -6.100 3.089 1.00 0.91 C ATOM 1789 C VAL A 114 9.850 -5.381 4.292 1.00 0.93 C ATOM 1790 O VAL A 114 10.265 -4.267 4.617 1.00 1.04 O ATOM 1791 CB VAL A 114 11.808 -6.764 3.490 1.00 1.23 C ATOM 1792 CG1 VAL A 114 11.628 -7.776 4.635 1.00 1.45 C ATOM 1793 CG2 VAL A 114 12.441 -7.495 2.290 1.00 2.07 C ATOM 0 H VAL A 114 11.431 -4.464 2.223 1.00 0.85 H new ATOM 0 HA VAL A 114 9.814 -6.895 2.734 1.00 0.91 H new ATOM 0 HB VAL A 114 12.462 -5.960 3.826 1.00 1.23 H new ATOM 0 HG11 VAL A 114 12.592 -8.218 4.885 1.00 1.45 H new ATOM 0 HG12 VAL A 114 11.225 -7.267 5.510 1.00 1.45 H new ATOM 0 HG13 VAL A 114 10.939 -8.561 4.322 1.00 1.45 H new ATOM 0 HG21 VAL A 114 13.381 -7.954 2.598 1.00 2.07 H new ATOM 0 HG22 VAL A 114 11.760 -8.268 1.934 1.00 2.07 H new ATOM 0 HG23 VAL A 114 12.631 -6.781 1.488 1.00 2.07 H new ATOM 1803 N LEU A 115 8.832 -5.996 4.904 1.00 0.96 N ATOM 1804 CA LEU A 115 7.992 -5.416 5.949 1.00 1.04 C ATOM 1805 C LEU A 115 7.304 -6.514 6.795 1.00 0.85 C ATOM 1806 O LEU A 115 7.057 -7.616 6.292 1.00 0.93 O ATOM 1807 CB LEU A 115 6.989 -4.395 5.365 1.00 1.36 C ATOM 1808 CG LEU A 115 6.031 -4.871 4.251 1.00 1.15 C ATOM 1809 CD1 LEU A 115 4.943 -3.807 4.051 1.00 1.93 C ATOM 1810 CD2 LEU A 115 6.746 -5.044 2.909 1.00 1.93 C ATOM 0 H LEU A 115 8.562 -6.952 4.672 1.00 0.96 H new ATOM 0 HA LEU A 115 8.638 -4.861 6.629 1.00 1.04 H new ATOM 0 HB2 LEU A 115 6.382 -4.016 6.187 1.00 1.36 H new ATOM 0 HB3 LEU A 115 7.560 -3.552 4.976 1.00 1.36 H new ATOM 0 HG LEU A 115 5.621 -5.832 4.560 1.00 1.15 H new ATOM 0 HD11 LEU A 115 4.258 -4.130 3.267 1.00 1.93 H new ATOM 0 HD12 LEU A 115 4.391 -3.672 4.981 1.00 1.93 H new ATOM 0 HD13 LEU A 115 5.406 -2.863 3.763 1.00 1.93 H new ATOM 0 HD21 LEU A 115 6.032 -5.380 2.157 1.00 1.93 H new ATOM 0 HD22 LEU A 115 7.177 -4.091 2.601 1.00 1.93 H new ATOM 0 HD23 LEU A 115 7.539 -5.784 3.012 1.00 1.93 H new ATOM 1822 N PRO A 116 6.929 -6.220 8.051 1.00 0.72 N ATOM 1823 CA PRO A 116 6.078 -7.093 8.843 1.00 0.67 C ATOM 1824 C PRO A 116 4.663 -7.207 8.262 1.00 0.75 C ATOM 1825 O PRO A 116 4.081 -6.235 7.778 1.00 0.75 O ATOM 1826 CB PRO A 116 6.063 -6.499 10.254 1.00 0.91 C ATOM 1827 CG PRO A 116 6.386 -5.023 10.019 1.00 0.88 C ATOM 1828 CD PRO A 116 7.350 -5.073 8.841 1.00 0.82 C ATOM 0 HA PRO A 116 6.465 -8.112 8.845 1.00 0.67 H new ATOM 0 HB2 PRO A 116 5.093 -6.627 10.734 1.00 0.91 H new ATOM 0 HB3 PRO A 116 6.802 -6.975 10.898 1.00 0.91 H new ATOM 0 HG2 PRO A 116 5.492 -4.445 9.786 1.00 0.88 H new ATOM 0 HG3 PRO A 116 6.842 -4.564 10.896 1.00 0.88 H new ATOM 0 HD2 PRO A 116 7.305 -4.154 8.256 1.00 0.82 H new ATOM 0 HD3 PRO A 116 8.380 -5.185 9.180 1.00 0.82 H new ATOM 1836 N VAL A 117 4.065 -8.390 8.404 1.00 1.05 N ATOM 1837 CA VAL A 117 2.610 -8.526 8.481 1.00 1.14 C ATOM 1838 C VAL A 117 2.239 -8.230 9.930 1.00 1.17 C ATOM 1839 O VAL A 117 2.766 -8.866 10.838 1.00 1.18 O ATOM 1840 CB VAL A 117 2.123 -9.940 8.110 1.00 1.12 C ATOM 1841 CG1 VAL A 117 0.582 -9.979 8.099 1.00 1.16 C ATOM 1842 CG2 VAL A 117 2.644 -10.433 6.753 1.00 1.14 C ATOM 0 H VAL A 117 4.570 -9.274 8.468 1.00 1.05 H new ATOM 0 HA VAL A 117 2.140 -7.845 7.771 1.00 1.14 H new ATOM 0 HB VAL A 117 2.526 -10.608 8.871 1.00 1.12 H new ATOM 0 HG11 VAL A 117 0.245 -10.982 7.836 1.00 1.16 H new ATOM 0 HG12 VAL A 117 0.204 -9.717 9.087 1.00 1.16 H new ATOM 0 HG13 VAL A 117 0.205 -9.266 7.366 1.00 1.16 H new ATOM 0 HG21 VAL A 117 2.261 -11.435 6.558 1.00 1.14 H new ATOM 0 HG22 VAL A 117 2.308 -9.757 5.967 1.00 1.14 H new ATOM 0 HG23 VAL A 117 3.734 -10.458 6.769 1.00 1.14 H new ATOM 1852 N GLU A 118 1.351 -7.269 10.163 1.00 1.27 N ATOM 1853 CA GLU A 118 1.013 -6.774 11.494 1.00 1.31 C ATOM 1854 C GLU A 118 -0.403 -6.195 11.512 1.00 1.51 C ATOM 1855 O GLU A 118 -0.912 -5.730 10.495 1.00 2.04 O ATOM 1856 CB GLU A 118 2.066 -5.747 11.963 1.00 1.59 C ATOM 1857 CG GLU A 118 2.957 -6.315 13.074 1.00 1.98 C ATOM 1858 CD GLU A 118 2.253 -6.287 14.428 1.00 2.81 C ATOM 1859 OE1 GLU A 118 1.121 -6.811 14.531 1.00 3.99 O ATOM 1860 OE2 GLU A 118 2.749 -5.594 15.340 1.00 3.20 O ATOM 0 H GLU A 118 0.835 -6.803 9.417 1.00 1.27 H new ATOM 0 HA GLU A 118 1.027 -7.606 12.198 1.00 1.31 H new ATOM 0 HB2 GLU A 118 2.685 -5.448 11.117 1.00 1.59 H new ATOM 0 HB3 GLU A 118 1.564 -4.849 12.323 1.00 1.59 H new ATOM 0 HG2 GLU A 118 3.236 -7.340 12.829 1.00 1.98 H new ATOM 0 HG3 GLU A 118 3.880 -5.738 13.131 1.00 1.98 H new