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 HD1:sc= 0.663 K(o=2.2,f=-3.7!) USER MOD Set 1.2: A 48 THR OG1 : rot 16:sc= 0.83 USER MOD Set 1.3: A 61 MET CE :methyl -166:sc= -0.0832 (180deg=-0.447) USER MOD Set 1.4: A 83 HIS : no HE2:sc= 0.816 K(o=2.2,f=-2!) USER MOD Single : A 11 SER OG : rot 3:sc= 1.64 USER MOD Single : A 15 ASN : amide:sc= -0.304 K(o=-0.3,f=-2.5!) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot -170:sc= 0 USER MOD Single : A 24 ASN : amide:sc= 0.367 K(o=0.37,f=-4.5!) USER MOD Single : A 37 THR OG1 : rot 105:sc= -0.663 USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 156:sc= 0.596 (180deg=-0.805) USER MOD Single : A 57 LYS NZ :NH3+ -170:sc= 2.01 (180deg=1.5) USER MOD Single : A 59 MET CE :methyl 164:sc= 0 (180deg=-0.115) USER MOD Single : A 72 LYS NZ :NH3+ 150:sc= 0.558 (180deg=-0.294) USER MOD Single : A 78 LYS NZ :NH3+ -173:sc= 2.4 (180deg=2.32) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 MET CE :methyl -150:sc= -0.339 (180deg=-1.32) USER MOD Single : A 90 LYS NZ :NH3+ 168:sc= 0.849 (180deg=0.354) USER MOD Single : A 94 LYS NZ :NH3+ -170:sc= 1.28 (180deg=1.17) USER MOD Single : A 109 LYS NZ :NH3+ 162:sc= 1.84 (180deg=1.45) USER MOD Single : A 112 LYS NZ :NH3+ -148:sc= 0.382 (180deg=-1!) USER MOD ----------------------------------------------------------------- ATOM 55 N GLU A 5 9.167 2.217 8.246 1.00 2.26 N ATOM 56 CA GLU A 5 8.514 1.249 7.363 1.00 1.20 C ATOM 57 C GLU A 5 6.989 1.290 7.560 1.00 1.26 C ATOM 58 O GLU A 5 6.491 1.841 8.543 1.00 1.91 O ATOM 59 CB GLU A 5 9.085 -0.151 7.652 1.00 2.74 C ATOM 60 CG GLU A 5 8.714 -1.274 6.673 1.00 4.73 C ATOM 61 CD GLU A 5 8.927 -0.905 5.207 1.00 5.96 C ATOM 62 OE1 GLU A 5 10.111 -0.885 4.803 1.00 6.44 O ATOM 63 OE2 GLU A 5 7.908 -0.649 4.519 1.00 7.06 O ATOM 0 HA GLU A 5 8.712 1.500 6.321 1.00 1.20 H new ATOM 0 HB2 GLU A 5 10.172 -0.073 7.681 1.00 2.74 H new ATOM 0 HB3 GLU A 5 8.760 -0.450 8.648 1.00 2.74 H new ATOM 0 HG2 GLU A 5 9.308 -2.158 6.906 1.00 4.73 H new ATOM 0 HG3 GLU A 5 7.669 -1.544 6.822 1.00 4.73 H new ATOM 70 N GLY A 6 6.253 0.699 6.615 1.00 1.40 N ATOM 71 CA GLY A 6 4.811 0.472 6.711 1.00 1.51 C ATOM 72 C GLY A 6 4.495 -0.883 7.341 1.00 1.34 C ATOM 73 O GLY A 6 5.391 -1.597 7.778 1.00 1.41 O ATOM 0 H GLY A 6 6.654 0.357 5.742 1.00 1.40 H new ATOM 0 HA2 GLY A 6 4.356 1.265 7.305 1.00 1.51 H new ATOM 0 HA3 GLY A 6 4.367 0.524 5.717 1.00 1.51 H new ATOM 77 N TRP A 7 3.214 -1.252 7.391 1.00 1.31 N ATOM 78 CA TRP A 7 2.748 -2.495 8.027 1.00 1.27 C ATOM 79 C TRP A 7 1.584 -3.163 7.264 1.00 1.14 C ATOM 80 O TRP A 7 1.271 -2.785 6.130 1.00 0.68 O ATOM 81 CB TRP A 7 2.440 -2.208 9.503 1.00 1.42 C ATOM 82 CG TRP A 7 1.291 -1.283 9.737 1.00 1.47 C ATOM 83 CD1 TRP A 7 -0.010 -1.640 9.770 1.00 1.53 C ATOM 84 CD2 TRP A 7 1.318 0.158 9.969 1.00 1.74 C ATOM 85 NE1 TRP A 7 -0.788 -0.519 9.953 1.00 1.78 N ATOM 86 CE2 TRP A 7 -0.024 0.613 10.141 1.00 1.90 C ATOM 87 CE3 TRP A 7 2.340 1.126 10.074 1.00 2.08 C ATOM 88 CZ2 TRP A 7 -0.334 1.948 10.443 1.00 2.29 C ATOM 89 CZ3 TRP A 7 2.039 2.475 10.350 1.00 2.50 C ATOM 90 CH2 TRP A 7 0.707 2.887 10.542 1.00 2.58 C ATOM 0 H TRP A 7 2.460 -0.694 6.989 1.00 1.31 H new ATOM 0 HA TRP A 7 3.542 -3.240 7.983 1.00 1.27 H new ATOM 0 HB2 TRP A 7 2.236 -3.153 10.007 1.00 1.42 H new ATOM 0 HB3 TRP A 7 3.330 -1.784 9.969 1.00 1.42 H new ATOM 0 HD1 TRP A 7 -0.383 -2.648 9.669 1.00 1.53 H new ATOM 0 HE1 TRP A 7 -1.808 -0.525 9.950 1.00 1.78 H new ATOM 0 HE3 TRP A 7 3.369 0.828 9.941 1.00 2.08 H new ATOM 0 HZ2 TRP A 7 -1.359 2.250 10.597 1.00 2.29 H new ATOM 0 HZ3 TRP A 7 2.838 3.199 10.415 1.00 2.50 H new ATOM 0 HH2 TRP A 7 0.486 3.920 10.764 1.00 2.58 H new ATOM 101 N VAL A 8 0.998 -4.228 7.822 1.00 1.66 N ATOM 102 CA VAL A 8 0.033 -5.089 7.115 1.00 1.37 C ATOM 103 C VAL A 8 -1.292 -5.140 7.874 1.00 1.47 C ATOM 104 O VAL A 8 -1.334 -5.453 9.057 1.00 1.93 O ATOM 105 CB VAL A 8 0.600 -6.509 6.910 1.00 1.64 C ATOM 106 CG1 VAL A 8 -0.405 -7.428 6.190 1.00 1.65 C ATOM 107 CG2 VAL A 8 1.898 -6.485 6.081 1.00 1.77 C ATOM 0 H VAL A 8 1.178 -4.522 8.782 1.00 1.66 H new ATOM 0 HA VAL A 8 -0.148 -4.658 6.131 1.00 1.37 H new ATOM 0 HB VAL A 8 0.803 -6.897 7.908 1.00 1.64 H new ATOM 0 HG11 VAL A 8 0.033 -8.418 6.065 1.00 1.65 H new ATOM 0 HG12 VAL A 8 -1.316 -7.506 6.783 1.00 1.65 H new ATOM 0 HG13 VAL A 8 -0.643 -7.011 5.212 1.00 1.65 H new ATOM 0 HG21 VAL A 8 2.269 -7.502 5.957 1.00 1.77 H new ATOM 0 HG22 VAL A 8 1.697 -6.050 5.102 1.00 1.77 H new ATOM 0 HG23 VAL A 8 2.648 -5.886 6.597 1.00 1.77 H new ATOM 117 N ARG A 9 -2.389 -4.887 7.151 1.00 1.31 N ATOM 118 CA ARG A 9 -3.771 -4.817 7.656 1.00 1.74 C ATOM 119 C ARG A 9 -4.203 -5.991 8.543 1.00 1.82 C ATOM 120 O ARG A 9 -5.115 -5.810 9.344 1.00 3.36 O ATOM 121 CB ARG A 9 -4.698 -4.702 6.432 1.00 2.01 C ATOM 122 CG ARG A 9 -6.169 -4.345 6.725 1.00 2.60 C ATOM 123 CD ARG A 9 -7.129 -5.540 6.848 1.00 3.63 C ATOM 124 NE ARG A 9 -8.515 -5.053 6.943 1.00 4.56 N ATOM 125 CZ ARG A 9 -9.626 -5.673 6.561 1.00 5.78 C ATOM 126 NH1 ARG A 9 -9.638 -6.914 6.107 1.00 6.51 N ATOM 127 NH2 ARG A 9 -10.771 -5.026 6.637 1.00 6.67 N ATOM 0 H ARG A 9 -2.338 -4.716 6.147 1.00 1.31 H new ATOM 0 HA ARG A 9 -3.835 -3.950 8.313 1.00 1.74 H new ATOM 0 HB2 ARG A 9 -4.289 -3.946 5.762 1.00 2.01 H new ATOM 0 HB3 ARG A 9 -4.676 -5.650 5.895 1.00 2.01 H new ATOM 0 HG2 ARG A 9 -6.208 -3.773 7.652 1.00 2.60 H new ATOM 0 HG3 ARG A 9 -6.531 -3.691 5.932 1.00 2.60 H new ATOM 0 HD2 ARG A 9 -7.022 -6.196 5.984 1.00 3.63 H new ATOM 0 HD3 ARG A 9 -6.879 -6.131 7.729 1.00 3.63 H new ATOM 0 HE ARG A 9 -8.637 -4.127 7.352 1.00 4.56 H new ATOM 0 HH11 ARG A 9 -8.767 -7.440 6.038 1.00 6.51 H new ATOM 0 HH12 ARG A 9 -10.518 -7.346 5.826 1.00 6.51 H new ATOM 0 HH21 ARG A 9 -10.793 -4.067 6.984 1.00 6.67 H new ATOM 0 HH22 ARG A 9 -11.636 -5.484 6.349 1.00 6.67 H new ATOM 141 N PHE A 10 -3.595 -7.170 8.342 1.00 0.86 N ATOM 142 CA PHE A 10 -3.826 -8.444 9.030 1.00 0.81 C ATOM 143 C PHE A 10 -5.196 -9.038 8.667 1.00 0.78 C ATOM 144 O PHE A 10 -6.242 -8.457 8.945 1.00 1.12 O ATOM 145 CB PHE A 10 -3.629 -8.293 10.546 1.00 1.15 C ATOM 146 CG PHE A 10 -3.937 -9.562 11.311 1.00 1.38 C ATOM 147 CD1 PHE A 10 -2.977 -10.587 11.394 1.00 2.79 C ATOM 148 CD2 PHE A 10 -5.209 -9.740 11.881 1.00 2.08 C ATOM 149 CE1 PHE A 10 -3.303 -11.799 12.023 1.00 3.09 C ATOM 150 CE2 PHE A 10 -5.535 -10.958 12.510 1.00 2.12 C ATOM 151 CZ PHE A 10 -4.585 -11.990 12.573 1.00 1.96 C ATOM 0 H PHE A 10 -2.868 -7.261 7.633 1.00 0.86 H new ATOM 0 HA PHE A 10 -3.080 -9.159 8.683 1.00 0.81 H new ATOM 0 HB2 PHE A 10 -2.599 -7.996 10.745 1.00 1.15 H new ATOM 0 HB3 PHE A 10 -4.269 -7.490 10.912 1.00 1.15 H new ATOM 0 HD1 PHE A 10 -1.992 -10.442 10.975 1.00 2.79 H new ATOM 0 HD2 PHE A 10 -5.937 -8.943 11.837 1.00 2.08 H new ATOM 0 HE1 PHE A 10 -2.568 -12.588 12.085 1.00 3.09 H new ATOM 0 HE2 PHE A 10 -6.514 -11.098 12.943 1.00 2.12 H new ATOM 0 HZ PHE A 10 -4.837 -12.929 13.043 1.00 1.96 H new ATOM 161 N SER A 11 -5.219 -10.206 8.029 1.00 0.73 N ATOM 162 CA SER A 11 -6.438 -10.915 7.602 1.00 0.81 C ATOM 163 C SER A 11 -6.087 -12.336 7.121 1.00 0.81 C ATOM 164 O SER A 11 -4.985 -12.524 6.597 1.00 0.98 O ATOM 165 CB SER A 11 -7.160 -10.172 6.457 1.00 1.13 C ATOM 166 OG SER A 11 -7.755 -8.959 6.898 1.00 2.38 O ATOM 0 H SER A 11 -4.365 -10.707 7.784 1.00 0.73 H new ATOM 0 HA SER A 11 -7.102 -10.960 8.465 1.00 0.81 H new ATOM 0 HB2 SER A 11 -6.449 -9.957 5.660 1.00 1.13 H new ATOM 0 HB3 SER A 11 -7.928 -10.819 6.033 1.00 1.13 H new ATOM 0 HG SER A 11 -7.542 -8.815 7.844 1.00 2.38 H new ATOM 172 N PRO A 12 -7.000 -13.321 7.257 1.00 0.91 N ATOM 173 CA PRO A 12 -6.844 -14.646 6.663 1.00 1.07 C ATOM 174 C PRO A 12 -7.261 -14.695 5.185 1.00 0.90 C ATOM 175 O PRO A 12 -6.726 -15.498 4.424 1.00 1.10 O ATOM 176 CB PRO A 12 -7.743 -15.551 7.510 1.00 1.35 C ATOM 177 CG PRO A 12 -8.887 -14.630 7.930 1.00 1.32 C ATOM 178 CD PRO A 12 -8.192 -13.278 8.099 1.00 1.12 C ATOM 0 HA PRO A 12 -5.798 -14.954 6.665 1.00 1.07 H new ATOM 0 HB2 PRO A 12 -8.105 -16.405 6.938 1.00 1.35 H new ATOM 0 HB3 PRO A 12 -7.211 -15.949 8.374 1.00 1.35 H new ATOM 0 HG2 PRO A 12 -9.671 -14.589 7.174 1.00 1.32 H new ATOM 0 HG3 PRO A 12 -9.354 -14.963 8.857 1.00 1.32 H new ATOM 0 HD2 PRO A 12 -8.850 -12.462 7.799 1.00 1.12 H new ATOM 0 HD3 PRO A 12 -7.925 -13.106 9.142 1.00 1.12 H new ATOM 186 N GLY A 13 -8.221 -13.845 4.803 1.00 0.73 N ATOM 187 CA GLY A 13 -8.927 -13.812 3.516 1.00 0.78 C ATOM 188 C GLY A 13 -10.354 -13.266 3.697 1.00 0.92 C ATOM 189 O GLY A 13 -10.754 -13.025 4.839 1.00 1.01 O ATOM 0 H GLY A 13 -8.549 -13.110 5.429 1.00 0.73 H new ATOM 0 HA2 GLY A 13 -8.379 -13.187 2.810 1.00 0.78 H new ATOM 0 HA3 GLY A 13 -8.966 -14.815 3.090 1.00 0.78 H new ATOM 193 N PRO A 14 -11.132 -13.030 2.620 1.00 1.11 N ATOM 194 CA PRO A 14 -10.780 -13.167 1.207 1.00 1.23 C ATOM 195 C PRO A 14 -9.998 -11.959 0.657 1.00 1.23 C ATOM 196 O PRO A 14 -9.711 -11.914 -0.538 1.00 1.55 O ATOM 197 CB PRO A 14 -12.130 -13.317 0.497 1.00 1.54 C ATOM 198 CG PRO A 14 -13.038 -12.400 1.313 1.00 1.60 C ATOM 199 CD PRO A 14 -12.524 -12.601 2.739 1.00 1.38 C ATOM 0 HA PRO A 14 -10.113 -14.014 1.049 1.00 1.23 H new ATOM 0 HB2 PRO A 14 -12.075 -13.009 -0.547 1.00 1.54 H new ATOM 0 HB3 PRO A 14 -12.481 -14.349 0.507 1.00 1.54 H new ATOM 0 HG2 PRO A 14 -12.955 -11.361 0.995 1.00 1.60 H new ATOM 0 HG3 PRO A 14 -14.087 -12.680 1.217 1.00 1.60 H new ATOM 0 HD2 PRO A 14 -12.598 -11.677 3.312 1.00 1.38 H new ATOM 0 HD3 PRO A 14 -13.118 -13.350 3.264 1.00 1.38 H new ATOM 207 N ASN A 15 -9.636 -10.980 1.498 1.00 0.96 N ATOM 208 CA ASN A 15 -8.703 -9.921 1.137 1.00 0.74 C ATOM 209 C ASN A 15 -7.870 -9.427 2.331 1.00 0.55 C ATOM 210 O ASN A 15 -8.209 -9.634 3.498 1.00 0.73 O ATOM 211 CB ASN A 15 -9.411 -8.770 0.402 1.00 0.89 C ATOM 212 CG ASN A 15 -10.250 -7.807 1.238 1.00 1.48 C ATOM 213 OD1 ASN A 15 -9.843 -7.294 2.270 1.00 2.54 O ATOM 214 ND2 ASN A 15 -11.427 -7.457 0.758 1.00 1.69 N ATOM 0 H ASN A 15 -9.989 -10.907 2.452 1.00 0.96 H new ATOM 0 HA ASN A 15 -7.989 -10.359 0.439 1.00 0.74 H new ATOM 0 HB2 ASN A 15 -8.652 -8.188 -0.120 1.00 0.89 H new ATOM 0 HB3 ASN A 15 -10.058 -9.205 -0.359 1.00 0.89 H new ATOM 0 HD21 ASN A 15 -11.991 -6.762 1.247 1.00 1.69 H new ATOM 0 HD22 ASN A 15 -11.773 -7.881 -0.103 1.00 1.69 H new ATOM 221 N ALA A 16 -6.810 -8.706 1.993 1.00 0.39 N ATOM 222 CA ALA A 16 -6.009 -7.861 2.867 1.00 0.37 C ATOM 223 C ALA A 16 -5.738 -6.510 2.180 1.00 0.37 C ATOM 224 O ALA A 16 -6.193 -6.257 1.062 1.00 0.40 O ATOM 225 CB ALA A 16 -4.714 -8.610 3.228 1.00 0.41 C ATOM 0 H ALA A 16 -6.463 -8.696 1.034 1.00 0.39 H new ATOM 0 HA ALA A 16 -6.542 -7.645 3.793 1.00 0.37 H new ATOM 0 HB1 ALA A 16 -4.104 -7.988 3.883 1.00 0.41 H new ATOM 0 HB2 ALA A 16 -4.962 -9.540 3.739 1.00 0.41 H new ATOM 0 HB3 ALA A 16 -4.157 -8.833 2.318 1.00 0.41 H new ATOM 231 N ALA A 17 -4.981 -5.646 2.850 1.00 0.46 N ATOM 232 CA ALA A 17 -4.388 -4.411 2.334 1.00 0.55 C ATOM 233 C ALA A 17 -2.945 -4.337 2.876 1.00 0.58 C ATOM 234 O ALA A 17 -2.660 -4.916 3.933 1.00 0.72 O ATOM 235 CB ALA A 17 -5.219 -3.205 2.793 1.00 0.74 C ATOM 0 H ALA A 17 -4.749 -5.798 3.832 1.00 0.46 H new ATOM 0 HA ALA A 17 -4.376 -4.400 1.244 1.00 0.55 H new ATOM 0 HB1 ALA A 17 -4.774 -2.288 2.407 1.00 0.74 H new ATOM 0 HB2 ALA A 17 -6.237 -3.301 2.417 1.00 0.74 H new ATOM 0 HB3 ALA A 17 -5.237 -3.169 3.882 1.00 0.74 H new ATOM 241 N ALA A 18 -2.050 -3.631 2.187 1.00 0.62 N ATOM 242 CA ALA A 18 -0.657 -3.453 2.595 1.00 0.65 C ATOM 243 C ALA A 18 -0.254 -1.984 2.489 1.00 0.73 C ATOM 244 O ALA A 18 -0.684 -1.275 1.573 1.00 0.78 O ATOM 245 CB ALA A 18 0.245 -4.359 1.749 1.00 0.70 C ATOM 0 H ALA A 18 -2.277 -3.157 1.313 1.00 0.62 H new ATOM 0 HA ALA A 18 -0.541 -3.742 3.639 1.00 0.65 H new ATOM 0 HB1 ALA A 18 1.283 -4.226 2.054 1.00 0.70 H new ATOM 0 HB2 ALA A 18 -0.045 -5.400 1.895 1.00 0.70 H new ATOM 0 HB3 ALA A 18 0.139 -4.097 0.696 1.00 0.70 H new ATOM 251 N TYR A 19 0.562 -1.553 3.455 1.00 0.77 N ATOM 252 CA TYR A 19 0.750 -0.138 3.794 1.00 0.70 C ATOM 253 C TYR A 19 2.207 0.345 3.738 1.00 0.75 C ATOM 254 O TYR A 19 2.559 1.330 4.391 1.00 1.76 O ATOM 255 CB TYR A 19 0.143 0.120 5.190 1.00 0.79 C ATOM 256 CG TYR A 19 -1.294 -0.328 5.378 1.00 1.00 C ATOM 257 CD1 TYR A 19 -2.264 -0.006 4.415 1.00 2.15 C ATOM 258 CD2 TYR A 19 -1.676 -1.020 6.538 1.00 2.08 C ATOM 259 CE1 TYR A 19 -3.607 -0.382 4.588 1.00 2.27 C ATOM 260 CE2 TYR A 19 -3.024 -1.364 6.746 1.00 2.29 C ATOM 261 CZ TYR A 19 -3.994 -1.049 5.767 1.00 1.55 C ATOM 262 OH TYR A 19 -5.311 -1.298 6.001 1.00 1.79 O ATOM 0 H TYR A 19 1.118 -2.184 4.031 1.00 0.77 H new ATOM 0 HA TYR A 19 0.236 0.443 3.028 1.00 0.70 H new ATOM 0 HB2 TYR A 19 0.761 -0.384 5.933 1.00 0.79 H new ATOM 0 HB3 TYR A 19 0.201 1.188 5.399 1.00 0.79 H new ATOM 0 HD1 TYR A 19 -1.974 0.538 3.529 1.00 2.15 H new ATOM 0 HD2 TYR A 19 -0.932 -1.289 7.273 1.00 2.08 H new ATOM 0 HE1 TYR A 19 -4.337 -0.161 3.823 1.00 2.27 H new ATOM 0 HE2 TYR A 19 -3.318 -1.869 7.654 1.00 2.29 H new ATOM 0 HH TYR A 19 -5.408 -1.766 6.857 1.00 1.79 H new ATOM 272 N LEU A 20 3.067 -0.389 3.021 1.00 1.25 N ATOM 273 CA LEU A 20 4.527 -0.216 2.982 1.00 1.20 C ATOM 274 C LEU A 20 5.021 1.203 2.690 1.00 1.13 C ATOM 275 O LEU A 20 4.310 2.042 2.124 1.00 1.14 O ATOM 276 CB LEU A 20 5.155 -1.212 2.004 1.00 1.40 C ATOM 277 CG LEU A 20 5.063 -0.867 0.506 1.00 1.43 C ATOM 278 CD1 LEU A 20 5.979 -1.836 -0.242 1.00 2.72 C ATOM 279 CD2 LEU A 20 3.628 -1.004 -0.017 1.00 1.35 C ATOM 0 H LEU A 20 2.751 -1.154 2.425 1.00 1.25 H new ATOM 0 HA LEU A 20 4.857 -0.417 4.001 1.00 1.20 H new ATOM 0 HB2 LEU A 20 6.208 -1.324 2.263 1.00 1.40 H new ATOM 0 HB3 LEU A 20 4.684 -2.183 2.159 1.00 1.40 H new ATOM 0 HG LEU A 20 5.366 0.168 0.350 1.00 1.43 H new ATOM 0 HD11 LEU A 20 5.940 -1.622 -1.310 1.00 2.72 H new ATOM 0 HD12 LEU A 20 7.002 -1.718 0.115 1.00 2.72 H new ATOM 0 HD13 LEU A 20 5.648 -2.859 -0.065 1.00 2.72 H new ATOM 0 HD21 LEU A 20 3.602 -0.753 -1.077 1.00 1.35 H new ATOM 0 HD22 LEU A 20 3.287 -2.030 0.121 1.00 1.35 H new ATOM 0 HD23 LEU A 20 2.974 -0.327 0.533 1.00 1.35 H new ATOM 291 N THR A 21 6.289 1.449 3.028 1.00 1.17 N ATOM 292 CA THR A 21 6.951 2.733 2.803 1.00 1.14 C ATOM 293 C THR A 21 7.468 2.862 1.375 1.00 1.22 C ATOM 294 O THR A 21 7.942 1.899 0.772 1.00 1.58 O ATOM 295 CB THR A 21 8.030 2.925 3.866 1.00 1.38 C ATOM 296 OG1 THR A 21 7.299 3.234 5.025 1.00 1.52 O ATOM 297 CG2 THR A 21 8.977 4.089 3.593 1.00 1.73 C ATOM 0 H THR A 21 6.890 0.754 3.470 1.00 1.17 H new ATOM 0 HA THR A 21 6.231 3.544 2.908 1.00 1.14 H new ATOM 0 HB THR A 21 8.659 2.036 3.918 1.00 1.38 H new ATOM 0 HG1 THR A 21 7.913 3.530 5.730 1.00 1.52 H new ATOM 0 HG21 THR A 21 9.712 4.156 4.395 1.00 1.73 H new ATOM 0 HG22 THR A 21 9.489 3.927 2.644 1.00 1.73 H new ATOM 0 HG23 THR A 21 8.408 5.017 3.544 1.00 1.73 H new ATOM 305 N LEU A 22 7.404 4.090 0.844 1.00 1.15 N ATOM 306 CA LEU A 22 8.057 4.492 -0.398 1.00 1.42 C ATOM 307 C LEU A 22 8.881 5.761 -0.170 1.00 1.16 C ATOM 308 O LEU A 22 8.342 6.832 0.128 1.00 1.22 O ATOM 309 CB LEU A 22 7.003 4.722 -1.493 1.00 1.87 C ATOM 310 CG LEU A 22 7.498 4.400 -2.914 1.00 2.42 C ATOM 311 CD1 LEU A 22 6.437 4.876 -3.902 1.00 3.85 C ATOM 312 CD2 LEU A 22 8.842 5.032 -3.305 1.00 3.68 C ATOM 0 H LEU A 22 6.881 4.848 1.282 1.00 1.15 H new ATOM 0 HA LEU A 22 8.729 3.697 -0.723 1.00 1.42 H new ATOM 0 HB2 LEU A 22 6.128 4.109 -1.276 1.00 1.87 H new ATOM 0 HB3 LEU A 22 6.679 5.762 -1.459 1.00 1.87 H new ATOM 0 HG LEU A 22 7.662 3.323 -2.939 1.00 2.42 H new ATOM 0 HD11 LEU A 22 6.764 4.659 -4.919 1.00 3.85 H new ATOM 0 HD12 LEU A 22 5.498 4.359 -3.705 1.00 3.85 H new ATOM 0 HD13 LEU A 22 6.290 5.950 -3.789 1.00 3.85 H new ATOM 0 HD21 LEU A 22 9.098 4.742 -4.324 1.00 3.68 H new ATOM 0 HD22 LEU A 22 8.765 6.118 -3.245 1.00 3.68 H new ATOM 0 HD23 LEU A 22 9.619 4.686 -2.623 1.00 3.68 H new ATOM 324 N GLU A 23 10.186 5.634 -0.376 1.00 1.05 N ATOM 325 CA GLU A 23 11.129 6.741 -0.471 1.00 0.93 C ATOM 326 C GLU A 23 11.662 6.765 -1.899 1.00 0.89 C ATOM 327 O GLU A 23 12.040 5.730 -2.446 1.00 1.14 O ATOM 328 CB GLU A 23 12.287 6.602 0.536 1.00 1.27 C ATOM 329 CG GLU A 23 11.768 6.501 1.976 1.00 2.58 C ATOM 330 CD GLU A 23 12.812 6.926 3.009 1.00 3.16 C ATOM 331 OE1 GLU A 23 13.828 6.222 3.141 1.00 3.44 O ATOM 332 OE2 GLU A 23 12.560 7.952 3.690 1.00 4.29 O ATOM 0 H GLU A 23 10.633 4.724 -0.485 1.00 1.05 H new ATOM 0 HA GLU A 23 10.621 7.674 -0.227 1.00 0.93 H new ATOM 0 HB2 GLU A 23 12.875 5.716 0.297 1.00 1.27 H new ATOM 0 HB3 GLU A 23 12.953 7.460 0.447 1.00 1.27 H new ATOM 0 HG2 GLU A 23 10.881 7.126 2.083 1.00 2.58 H new ATOM 0 HG3 GLU A 23 11.461 5.474 2.176 1.00 2.58 H new ATOM 339 N ASN A 24 11.675 7.948 -2.502 1.00 0.88 N ATOM 340 CA ASN A 24 12.296 8.194 -3.795 1.00 0.84 C ATOM 341 C ASN A 24 13.754 8.655 -3.582 1.00 0.87 C ATOM 342 O ASN A 24 13.960 9.766 -3.085 1.00 0.93 O ATOM 343 CB ASN A 24 11.465 9.264 -4.512 1.00 0.82 C ATOM 344 CG ASN A 24 12.011 9.577 -5.893 1.00 0.74 C ATOM 345 OD1 ASN A 24 13.019 9.034 -6.330 1.00 1.30 O ATOM 346 ND2 ASN A 24 11.350 10.448 -6.622 1.00 0.92 N ATOM 0 H ASN A 24 11.245 8.779 -2.096 1.00 0.88 H new ATOM 0 HA ASN A 24 12.323 7.291 -4.405 1.00 0.84 H new ATOM 0 HB2 ASN A 24 10.433 8.924 -4.599 1.00 0.82 H new ATOM 0 HB3 ASN A 24 11.451 10.174 -3.913 1.00 0.82 H new ATOM 0 HD21 ASN A 24 11.675 10.678 -7.561 1.00 0.92 H new ATOM 0 HD22 ASN A 24 10.512 10.894 -6.249 1.00 0.92 H new ATOM 353 N PRO A 25 14.763 7.844 -3.940 1.00 0.99 N ATOM 354 CA PRO A 25 16.173 8.183 -3.747 1.00 1.06 C ATOM 355 C PRO A 25 16.797 9.028 -4.866 1.00 0.98 C ATOM 356 O PRO A 25 17.932 9.473 -4.704 1.00 1.07 O ATOM 357 CB PRO A 25 16.871 6.821 -3.669 1.00 1.26 C ATOM 358 CG PRO A 25 16.033 5.969 -4.629 1.00 1.31 C ATOM 359 CD PRO A 25 14.625 6.450 -4.337 1.00 1.18 C ATOM 0 HA PRO A 25 16.284 8.807 -2.860 1.00 1.06 H new ATOM 0 HB2 PRO A 25 17.913 6.880 -3.982 1.00 1.26 H new ATOM 0 HB3 PRO A 25 16.864 6.418 -2.656 1.00 1.26 H new ATOM 0 HG2 PRO A 25 16.312 6.134 -5.670 1.00 1.31 H new ATOM 0 HG3 PRO A 25 16.148 4.903 -4.433 1.00 1.31 H new ATOM 0 HD2 PRO A 25 13.988 6.354 -5.216 1.00 1.18 H new ATOM 0 HD3 PRO A 25 14.166 5.860 -3.544 1.00 1.18 H new ATOM 367 N GLY A 26 16.112 9.231 -6.000 1.00 0.91 N ATOM 368 CA GLY A 26 16.655 9.934 -7.153 1.00 0.89 C ATOM 369 C GLY A 26 16.328 11.418 -7.123 1.00 0.86 C ATOM 370 O GLY A 26 15.435 11.876 -6.419 1.00 1.32 O ATOM 0 H GLY A 26 15.155 8.905 -6.136 1.00 0.91 H new ATOM 0 HA2 GLY A 26 17.737 9.802 -7.181 1.00 0.89 H new ATOM 0 HA3 GLY A 26 16.256 9.494 -8.067 1.00 0.89 H new ATOM 374 N ASP A 27 17.030 12.153 -7.977 1.00 0.92 N ATOM 375 CA ASP A 27 16.905 13.590 -8.229 1.00 1.39 C ATOM 376 C ASP A 27 15.782 13.908 -9.240 1.00 1.33 C ATOM 377 O ASP A 27 15.558 15.052 -9.631 1.00 1.59 O ATOM 378 CB ASP A 27 18.277 14.050 -8.729 1.00 1.88 C ATOM 379 CG ASP A 27 19.261 14.220 -7.571 1.00 2.46 C ATOM 380 OD1 ASP A 27 19.836 13.208 -7.111 1.00 2.58 O ATOM 381 OD2 ASP A 27 19.400 15.348 -7.046 1.00 3.56 O ATOM 0 H ASP A 27 17.756 11.732 -8.556 1.00 0.92 H new ATOM 0 HA ASP A 27 16.620 14.123 -7.322 1.00 1.39 H new ATOM 0 HB2 ASP A 27 18.670 13.323 -9.440 1.00 1.88 H new ATOM 0 HB3 ASP A 27 18.174 14.994 -9.263 1.00 1.88 H new ATOM 386 N LEU A 28 15.054 12.864 -9.635 1.00 1.02 N ATOM 387 CA LEU A 28 13.897 12.857 -10.518 1.00 0.90 C ATOM 388 C LEU A 28 12.658 12.323 -9.776 1.00 0.83 C ATOM 389 O LEU A 28 12.809 11.563 -8.816 1.00 0.85 O ATOM 390 CB LEU A 28 14.276 12.047 -11.771 1.00 0.95 C ATOM 391 CG LEU A 28 14.605 10.549 -11.566 1.00 1.98 C ATOM 392 CD1 LEU A 28 13.360 9.644 -11.590 1.00 2.91 C ATOM 393 CD2 LEU A 28 15.557 10.079 -12.676 1.00 2.67 C ATOM 0 H LEU A 28 15.282 11.922 -9.316 1.00 1.02 H new ATOM 0 HA LEU A 28 13.623 13.863 -10.836 1.00 0.90 H new ATOM 0 HB2 LEU A 28 13.453 12.119 -12.482 1.00 0.95 H new ATOM 0 HB3 LEU A 28 15.140 12.523 -12.234 1.00 0.95 H new ATOM 0 HG LEU A 28 15.060 10.465 -10.579 1.00 1.98 H new ATOM 0 HD11 LEU A 28 13.661 8.607 -11.441 1.00 2.91 H new ATOM 0 HD12 LEU A 28 12.678 9.942 -10.794 1.00 2.91 H new ATOM 0 HD13 LEU A 28 12.858 9.741 -12.553 1.00 2.91 H new ATOM 0 HD21 LEU A 28 15.790 9.024 -12.533 1.00 2.67 H new ATOM 0 HD22 LEU A 28 15.081 10.217 -13.647 1.00 2.67 H new ATOM 0 HD23 LEU A 28 16.477 10.662 -12.637 1.00 2.67 H new ATOM 405 N PRO A 29 11.432 12.695 -10.187 1.00 0.82 N ATOM 406 CA PRO A 29 10.209 12.282 -9.508 1.00 0.76 C ATOM 407 C PRO A 29 9.841 10.843 -9.889 1.00 0.72 C ATOM 408 O PRO A 29 10.036 10.426 -11.030 1.00 0.85 O ATOM 409 CB PRO A 29 9.145 13.288 -9.951 1.00 0.82 C ATOM 410 CG PRO A 29 9.600 13.694 -11.356 1.00 0.88 C ATOM 411 CD PRO A 29 11.126 13.543 -11.326 1.00 0.89 C ATOM 0 HA PRO A 29 10.314 12.280 -8.423 1.00 0.76 H new ATOM 0 HB2 PRO A 29 8.151 12.841 -9.965 1.00 0.82 H new ATOM 0 HB3 PRO A 29 9.100 14.146 -9.280 1.00 0.82 H new ATOM 0 HG2 PRO A 29 9.153 13.055 -12.118 1.00 0.88 H new ATOM 0 HG3 PRO A 29 9.307 14.718 -11.587 1.00 0.88 H new ATOM 0 HD2 PRO A 29 11.490 13.097 -12.251 1.00 0.89 H new ATOM 0 HD3 PRO A 29 11.611 14.514 -11.228 1.00 0.89 H new ATOM 419 N LEU A 30 9.275 10.096 -8.934 1.00 0.64 N ATOM 420 CA LEU A 30 8.729 8.756 -9.155 1.00 0.62 C ATOM 421 C LEU A 30 7.208 8.767 -9.181 1.00 0.58 C ATOM 422 O LEU A 30 6.542 9.491 -8.440 1.00 0.63 O ATOM 423 CB LEU A 30 9.184 7.755 -8.081 1.00 0.66 C ATOM 424 CG LEU A 30 10.623 7.257 -8.268 1.00 0.74 C ATOM 425 CD1 LEU A 30 11.058 6.459 -7.030 1.00 1.69 C ATOM 426 CD2 LEU A 30 10.821 6.362 -9.498 1.00 1.91 C ATOM 0 H LEU A 30 9.183 10.414 -7.969 1.00 0.64 H new ATOM 0 HA LEU A 30 9.114 8.440 -10.124 1.00 0.62 H new ATOM 0 HB2 LEU A 30 9.096 8.223 -7.101 1.00 0.66 H new ATOM 0 HB3 LEU A 30 8.510 6.899 -8.087 1.00 0.66 H new ATOM 0 HG LEU A 30 11.228 8.152 -8.413 1.00 0.74 H new ATOM 0 HD11 LEU A 30 12.080 6.106 -7.165 1.00 1.69 H new ATOM 0 HD12 LEU A 30 11.008 7.099 -6.149 1.00 1.69 H new ATOM 0 HD13 LEU A 30 10.394 5.605 -6.896 1.00 1.69 H new ATOM 0 HD21 LEU A 30 11.864 6.052 -9.559 1.00 1.91 H new ATOM 0 HD22 LEU A 30 10.185 5.481 -9.413 1.00 1.91 H new ATOM 0 HD23 LEU A 30 10.554 6.916 -10.398 1.00 1.91 H new ATOM 438 N ARG A 31 6.712 7.836 -9.985 1.00 0.59 N ATOM 439 CA ARG A 31 5.285 7.575 -10.190 1.00 0.53 C ATOM 440 C ARG A 31 4.967 6.092 -10.039 1.00 0.52 C ATOM 441 O ARG A 31 5.406 5.278 -10.856 1.00 0.53 O ATOM 442 CB ARG A 31 4.848 8.076 -11.569 1.00 0.54 C ATOM 443 CG ARG A 31 3.311 8.168 -11.652 1.00 0.57 C ATOM 444 CD ARG A 31 2.826 9.101 -12.769 1.00 0.71 C ATOM 445 NE ARG A 31 3.296 10.472 -12.517 1.00 1.04 N ATOM 446 CZ ARG A 31 3.596 11.432 -13.373 1.00 1.15 C ATOM 447 NH1 ARG A 31 3.319 11.337 -14.660 1.00 1.74 N ATOM 448 NH2 ARG A 31 4.204 12.505 -12.923 1.00 1.85 N ATOM 0 H ARG A 31 7.309 7.218 -10.534 1.00 0.59 H new ATOM 0 HA ARG A 31 4.730 8.116 -9.424 1.00 0.53 H new ATOM 0 HB2 ARG A 31 5.287 9.055 -11.762 1.00 0.54 H new ATOM 0 HB3 ARG A 31 5.219 7.402 -12.341 1.00 0.54 H new ATOM 0 HG2 ARG A 31 2.901 7.171 -11.815 1.00 0.57 H new ATOM 0 HG3 ARG A 31 2.921 8.520 -10.697 1.00 0.57 H new ATOM 0 HD2 ARG A 31 3.197 8.752 -13.733 1.00 0.71 H new ATOM 0 HD3 ARG A 31 1.737 9.084 -12.821 1.00 0.71 H new ATOM 0 HE ARG A 31 3.407 10.718 -11.533 1.00 1.04 H new ATOM 0 HH11 ARG A 31 2.859 10.502 -15.022 1.00 1.74 H new ATOM 0 HH12 ARG A 31 3.565 12.099 -15.292 1.00 1.74 H new ATOM 0 HH21 ARG A 31 4.434 12.583 -11.932 1.00 1.85 H new ATOM 0 HH22 ARG A 31 4.446 13.260 -13.564 1.00 1.85 H new ATOM 462 N LEU A 32 4.231 5.763 -8.985 1.00 0.57 N ATOM 463 CA LEU A 32 3.913 4.417 -8.514 1.00 0.52 C ATOM 464 C LEU A 32 2.506 4.041 -8.975 1.00 0.46 C ATOM 465 O LEU A 32 1.534 4.620 -8.514 1.00 0.50 O ATOM 466 CB LEU A 32 4.077 4.472 -6.988 1.00 0.55 C ATOM 467 CG LEU A 32 3.735 3.240 -6.131 1.00 0.71 C ATOM 468 CD1 LEU A 32 2.225 3.106 -5.894 1.00 2.25 C ATOM 469 CD2 LEU A 32 4.339 1.963 -6.719 1.00 1.82 C ATOM 0 H LEU A 32 3.810 6.479 -8.393 1.00 0.57 H new ATOM 0 HA LEU A 32 4.564 3.641 -8.917 1.00 0.52 H new ATOM 0 HB2 LEU A 32 5.116 4.731 -6.783 1.00 0.55 H new ATOM 0 HB3 LEU A 32 3.465 5.298 -6.626 1.00 0.55 H new ATOM 0 HG LEU A 32 4.192 3.391 -5.153 1.00 0.71 H new ATOM 0 HD11 LEU A 32 2.029 2.223 -5.285 1.00 2.25 H new ATOM 0 HD12 LEU A 32 1.858 3.993 -5.377 1.00 2.25 H new ATOM 0 HD13 LEU A 32 1.714 3.007 -6.852 1.00 2.25 H new ATOM 0 HD21 LEU A 32 4.078 1.113 -6.089 1.00 1.82 H new ATOM 0 HD22 LEU A 32 3.947 1.804 -7.723 1.00 1.82 H new ATOM 0 HD23 LEU A 32 5.424 2.061 -6.764 1.00 1.82 H new ATOM 481 N VAL A 33 2.409 3.089 -9.896 1.00 0.41 N ATOM 482 CA VAL A 33 1.170 2.760 -10.629 1.00 0.40 C ATOM 483 C VAL A 33 0.521 1.461 -10.100 1.00 0.36 C ATOM 484 O VAL A 33 -0.681 1.252 -10.257 1.00 0.40 O ATOM 485 CB VAL A 33 1.438 2.643 -12.156 1.00 0.42 C ATOM 486 CG1 VAL A 33 2.026 3.948 -12.733 1.00 0.51 C ATOM 487 CG2 VAL A 33 2.398 1.501 -12.544 1.00 0.41 C ATOM 0 H VAL A 33 3.201 2.506 -10.167 1.00 0.41 H new ATOM 0 HA VAL A 33 0.471 3.579 -10.459 1.00 0.40 H new ATOM 0 HB VAL A 33 0.456 2.430 -12.577 1.00 0.42 H new ATOM 0 HG11 VAL A 33 2.200 3.827 -13.802 1.00 0.51 H new ATOM 0 HG12 VAL A 33 1.325 4.766 -12.569 1.00 0.51 H new ATOM 0 HG13 VAL A 33 2.969 4.173 -12.235 1.00 0.51 H new ATOM 0 HG21 VAL A 33 2.531 1.489 -13.626 1.00 0.41 H new ATOM 0 HG22 VAL A 33 3.363 1.657 -12.062 1.00 0.41 H new ATOM 0 HG23 VAL A 33 1.980 0.548 -12.219 1.00 0.41 H new ATOM 497 N GLY A 34 1.331 0.566 -9.507 1.00 0.33 N ATOM 498 CA GLY A 34 0.907 -0.739 -8.988 1.00 0.34 C ATOM 499 C GLY A 34 1.887 -1.340 -7.980 1.00 0.34 C ATOM 500 O GLY A 34 2.900 -0.739 -7.627 1.00 0.36 O ATOM 0 H GLY A 34 2.327 0.739 -9.374 1.00 0.33 H new ATOM 0 HA2 GLY A 34 -0.070 -0.634 -8.515 1.00 0.34 H new ATOM 0 HA3 GLY A 34 0.785 -1.431 -9.821 1.00 0.34 H new ATOM 504 N ALA A 35 1.582 -2.561 -7.550 1.00 0.37 N ATOM 505 CA ALA A 35 2.451 -3.425 -6.757 1.00 0.37 C ATOM 506 C ALA A 35 2.314 -4.882 -7.225 1.00 0.39 C ATOM 507 O ALA A 35 1.550 -5.183 -8.143 1.00 0.45 O ATOM 508 CB ALA A 35 2.115 -3.263 -5.267 1.00 0.42 C ATOM 0 H ALA A 35 0.682 -2.995 -7.754 1.00 0.37 H new ATOM 0 HA ALA A 35 3.492 -3.136 -6.898 1.00 0.37 H new ATOM 0 HB1 ALA A 35 2.764 -3.908 -4.675 1.00 0.42 H new ATOM 0 HB2 ALA A 35 2.267 -2.225 -4.970 1.00 0.42 H new ATOM 0 HB3 ALA A 35 1.075 -3.540 -5.096 1.00 0.42 H new ATOM 514 N ARG A 36 3.061 -5.768 -6.571 1.00 0.40 N ATOM 515 CA ARG A 36 3.049 -7.226 -6.726 1.00 0.41 C ATOM 516 C ARG A 36 3.596 -7.848 -5.427 1.00 0.40 C ATOM 517 O ARG A 36 4.290 -7.180 -4.664 1.00 0.52 O ATOM 518 CB ARG A 36 3.822 -7.587 -8.019 1.00 0.62 C ATOM 519 CG ARG A 36 4.186 -9.066 -8.195 1.00 1.35 C ATOM 520 CD ARG A 36 4.954 -9.284 -9.509 1.00 1.95 C ATOM 521 NE ARG A 36 5.054 -10.718 -9.844 1.00 2.62 N ATOM 522 CZ ARG A 36 5.559 -11.241 -10.955 1.00 3.56 C ATOM 523 NH1 ARG A 36 6.107 -10.496 -11.897 1.00 4.48 N ATOM 524 NH2 ARG A 36 5.507 -12.544 -11.137 1.00 4.40 N ATOM 0 H ARG A 36 3.738 -5.469 -5.870 1.00 0.40 H new ATOM 0 HA ARG A 36 2.050 -7.640 -6.858 1.00 0.41 H new ATOM 0 HB2 ARG A 36 3.223 -7.277 -8.875 1.00 0.62 H new ATOM 0 HB3 ARG A 36 4.741 -7.002 -8.044 1.00 0.62 H new ATOM 0 HG2 ARG A 36 4.794 -9.399 -7.353 1.00 1.35 H new ATOM 0 HG3 ARG A 36 3.280 -9.671 -8.193 1.00 1.35 H new ATOM 0 HD2 ARG A 36 4.451 -8.754 -10.318 1.00 1.95 H new ATOM 0 HD3 ARG A 36 5.954 -8.859 -9.422 1.00 1.95 H new ATOM 0 HE ARG A 36 4.698 -11.375 -9.150 1.00 2.62 H new ATOM 0 HH11 ARG A 36 6.153 -9.483 -11.784 1.00 4.48 H new ATOM 0 HH12 ARG A 36 6.485 -10.933 -12.738 1.00 4.48 H new ATOM 0 HH21 ARG A 36 5.082 -13.141 -10.428 1.00 4.40 H new ATOM 0 HH22 ARG A 36 5.892 -12.956 -11.987 1.00 4.40 H new ATOM 538 N THR A 37 3.268 -9.109 -5.138 1.00 0.41 N ATOM 539 CA THR A 37 3.789 -9.878 -3.988 1.00 0.49 C ATOM 540 C THR A 37 3.501 -11.361 -4.184 1.00 0.52 C ATOM 541 O THR A 37 2.482 -11.679 -4.799 1.00 0.48 O ATOM 542 CB THR A 37 3.256 -9.373 -2.631 1.00 0.65 C ATOM 543 OG1 THR A 37 3.485 -10.323 -1.616 1.00 0.81 O ATOM 544 CG2 THR A 37 1.753 -9.075 -2.601 1.00 0.72 C ATOM 0 H THR A 37 2.615 -9.645 -5.709 1.00 0.41 H new ATOM 0 HA THR A 37 4.868 -9.725 -3.955 1.00 0.49 H new ATOM 0 HB THR A 37 3.801 -8.443 -2.470 1.00 0.65 H new ATOM 0 HG1 THR A 37 4.230 -10.027 -1.053 1.00 0.81 H new ATOM 0 HG21 THR A 37 1.471 -8.726 -1.608 1.00 0.72 H new ATOM 0 HG22 THR A 37 1.520 -8.304 -3.336 1.00 0.72 H new ATOM 0 HG23 THR A 37 1.197 -9.982 -2.838 1.00 0.72 H new ATOM 552 N PRO A 38 4.346 -12.268 -3.651 1.00 0.71 N ATOM 553 CA PRO A 38 4.115 -13.705 -3.723 1.00 0.73 C ATOM 554 C PRO A 38 2.889 -14.204 -2.954 1.00 0.74 C ATOM 555 O PRO A 38 2.513 -15.356 -3.152 1.00 0.83 O ATOM 556 CB PRO A 38 5.401 -14.340 -3.190 1.00 0.80 C ATOM 557 CG PRO A 38 6.035 -13.275 -2.301 1.00 0.89 C ATOM 558 CD PRO A 38 5.633 -11.987 -3.012 1.00 0.94 C ATOM 0 HA PRO A 38 3.889 -13.985 -4.752 1.00 0.73 H new ATOM 0 HB2 PRO A 38 5.187 -15.248 -2.626 1.00 0.80 H new ATOM 0 HB3 PRO A 38 6.068 -14.621 -4.005 1.00 0.80 H new ATOM 0 HG2 PRO A 38 5.652 -13.314 -1.281 1.00 0.89 H new ATOM 0 HG3 PRO A 38 7.118 -13.386 -2.240 1.00 0.89 H new ATOM 0 HD2 PRO A 38 5.547 -11.161 -2.306 1.00 0.94 H new ATOM 0 HD3 PRO A 38 6.381 -11.698 -3.750 1.00 0.94 H new ATOM 566 N VAL A 39 2.279 -13.378 -2.096 1.00 0.73 N ATOM 567 CA VAL A 39 1.149 -13.783 -1.232 1.00 0.74 C ATOM 568 C VAL A 39 -0.237 -13.196 -1.580 1.00 0.65 C ATOM 569 O VAL A 39 -1.158 -13.291 -0.766 1.00 0.69 O ATOM 570 CB VAL A 39 1.483 -13.560 0.260 1.00 0.79 C ATOM 571 CG1 VAL A 39 2.645 -14.452 0.732 1.00 0.88 C ATOM 572 CG2 VAL A 39 1.786 -12.092 0.578 1.00 0.82 C ATOM 0 H VAL A 39 2.552 -12.403 -1.976 1.00 0.73 H new ATOM 0 HA VAL A 39 1.038 -14.847 -1.440 1.00 0.74 H new ATOM 0 HB VAL A 39 0.586 -13.845 0.810 1.00 0.79 H new ATOM 0 HG11 VAL A 39 2.845 -14.261 1.786 1.00 0.88 H new ATOM 0 HG12 VAL A 39 2.377 -15.500 0.597 1.00 0.88 H new ATOM 0 HG13 VAL A 39 3.537 -14.227 0.147 1.00 0.88 H new ATOM 0 HG21 VAL A 39 2.014 -11.989 1.639 1.00 0.82 H new ATOM 0 HG22 VAL A 39 2.641 -11.761 -0.011 1.00 0.82 H new ATOM 0 HG23 VAL A 39 0.918 -11.480 0.333 1.00 0.82 H new ATOM 582 N ALA A 40 -0.440 -12.647 -2.786 1.00 0.59 N ATOM 583 CA ALA A 40 -1.767 -12.212 -3.261 1.00 0.53 C ATOM 584 C ALA A 40 -2.073 -12.603 -4.711 1.00 0.59 C ATOM 585 O ALA A 40 -1.176 -12.948 -5.471 1.00 0.90 O ATOM 586 CB ALA A 40 -1.920 -10.706 -3.020 1.00 0.59 C ATOM 0 H ALA A 40 0.308 -12.491 -3.461 1.00 0.59 H new ATOM 0 HA ALA A 40 -2.515 -12.751 -2.679 1.00 0.53 H new ATOM 0 HB1 ALA A 40 -2.899 -10.379 -3.369 1.00 0.59 H new ATOM 0 HB2 ALA A 40 -1.827 -10.497 -1.954 1.00 0.59 H new ATOM 0 HB3 ALA A 40 -1.143 -10.170 -3.565 1.00 0.59 H new ATOM 592 N GLU A 41 -3.364 -12.568 -5.058 1.00 0.76 N ATOM 593 CA GLU A 41 -3.882 -12.823 -6.396 1.00 1.04 C ATOM 594 C GLU A 41 -4.179 -11.486 -7.095 1.00 1.21 C ATOM 595 O GLU A 41 -3.534 -11.109 -8.072 1.00 1.39 O ATOM 596 CB GLU A 41 -5.152 -13.689 -6.232 1.00 1.24 C ATOM 597 CG GLU A 41 -5.578 -14.405 -7.510 1.00 1.53 C ATOM 598 CD GLU A 41 -4.680 -15.612 -7.743 1.00 1.69 C ATOM 599 OE1 GLU A 41 -3.599 -15.434 -8.344 1.00 2.63 O ATOM 600 OE2 GLU A 41 -4.935 -16.688 -7.163 1.00 2.66 O ATOM 0 H GLU A 41 -4.100 -12.353 -4.386 1.00 0.76 H new ATOM 0 HA GLU A 41 -3.161 -13.353 -7.019 1.00 1.04 H new ATOM 0 HB2 GLU A 41 -4.977 -14.430 -5.452 1.00 1.24 H new ATOM 0 HB3 GLU A 41 -5.971 -13.056 -5.891 1.00 1.24 H new ATOM 0 HG2 GLU A 41 -6.618 -14.722 -7.432 1.00 1.53 H new ATOM 0 HG3 GLU A 41 -5.516 -13.724 -8.359 1.00 1.53 H new ATOM 607 N ARG A 42 -5.119 -10.705 -6.548 1.00 1.30 N ATOM 608 CA ARG A 42 -5.532 -9.426 -7.132 1.00 1.46 C ATOM 609 C ARG A 42 -5.005 -8.267 -6.297 1.00 1.17 C ATOM 610 O ARG A 42 -5.617 -7.866 -5.310 1.00 1.83 O ATOM 611 CB ARG A 42 -7.056 -9.361 -7.335 1.00 1.74 C ATOM 612 CG ARG A 42 -7.499 -9.909 -8.711 1.00 1.86 C ATOM 613 CD ARG A 42 -8.577 -9.032 -9.366 1.00 2.07 C ATOM 614 NE ARG A 42 -8.031 -7.714 -9.753 1.00 3.22 N ATOM 615 CZ ARG A 42 -8.514 -6.512 -9.442 1.00 4.79 C ATOM 616 NH1 ARG A 42 -9.648 -6.326 -8.806 1.00 5.37 N ATOM 617 NH2 ARG A 42 -7.860 -5.422 -9.761 1.00 6.37 N ATOM 0 H ARG A 42 -5.614 -10.943 -5.688 1.00 1.30 H new ATOM 0 HA ARG A 42 -5.090 -9.342 -8.125 1.00 1.46 H new ATOM 0 HB2 ARG A 42 -7.548 -9.930 -6.546 1.00 1.74 H new ATOM 0 HB3 ARG A 42 -7.388 -8.327 -7.236 1.00 1.74 H new ATOM 0 HG2 ARG A 42 -6.634 -9.971 -9.371 1.00 1.86 H new ATOM 0 HG3 ARG A 42 -7.882 -10.922 -8.590 1.00 1.86 H new ATOM 0 HD2 ARG A 42 -8.975 -9.537 -10.247 1.00 2.07 H new ATOM 0 HD3 ARG A 42 -9.408 -8.895 -8.674 1.00 2.07 H new ATOM 0 HE ARG A 42 -7.186 -7.726 -10.325 1.00 3.22 H new ATOM 0 HH11 ARG A 42 -10.211 -7.128 -8.522 1.00 5.37 H new ATOM 0 HH12 ARG A 42 -9.966 -5.380 -8.596 1.00 5.37 H new ATOM 0 HH21 ARG A 42 -6.969 -5.487 -10.254 1.00 6.37 H new ATOM 0 HH22 ARG A 42 -8.242 -4.508 -9.517 1.00 6.37 H new ATOM 631 N VAL A 43 -3.892 -7.699 -6.754 1.00 0.67 N ATOM 632 CA VAL A 43 -3.394 -6.391 -6.303 1.00 0.61 C ATOM 633 C VAL A 43 -4.173 -5.261 -6.992 1.00 0.81 C ATOM 634 O VAL A 43 -4.508 -5.376 -8.173 1.00 1.36 O ATOM 635 CB VAL A 43 -1.870 -6.271 -6.517 1.00 1.08 C ATOM 636 CG1 VAL A 43 -1.442 -6.300 -7.997 1.00 1.54 C ATOM 637 CG2 VAL A 43 -1.279 -5.035 -5.818 1.00 1.48 C ATOM 0 H VAL A 43 -3.298 -8.136 -7.458 1.00 0.67 H new ATOM 0 HA VAL A 43 -3.564 -6.300 -5.230 1.00 0.61 H new ATOM 0 HB VAL A 43 -1.458 -7.166 -6.052 1.00 1.08 H new ATOM 0 HG11 VAL A 43 -0.358 -6.211 -8.064 1.00 1.54 H new ATOM 0 HG12 VAL A 43 -1.757 -7.241 -8.449 1.00 1.54 H new ATOM 0 HG13 VAL A 43 -1.908 -5.469 -8.527 1.00 1.54 H new ATOM 0 HG21 VAL A 43 -0.205 -4.994 -5.998 1.00 1.48 H new ATOM 0 HG22 VAL A 43 -1.748 -4.134 -6.214 1.00 1.48 H new ATOM 0 HG23 VAL A 43 -1.465 -5.099 -4.746 1.00 1.48 H new ATOM 647 N GLU A 44 -4.465 -4.183 -6.259 1.00 0.60 N ATOM 648 CA GLU A 44 -5.197 -3.001 -6.734 1.00 0.61 C ATOM 649 C GLU A 44 -4.777 -1.777 -5.911 1.00 0.61 C ATOM 650 O GLU A 44 -4.610 -1.895 -4.698 1.00 0.67 O ATOM 651 CB GLU A 44 -6.709 -3.252 -6.594 1.00 0.73 C ATOM 652 CG GLU A 44 -7.588 -2.295 -7.404 1.00 1.56 C ATOM 653 CD GLU A 44 -9.029 -2.806 -7.403 1.00 1.97 C ATOM 654 OE1 GLU A 44 -9.340 -3.633 -8.287 1.00 2.57 O ATOM 655 OE2 GLU A 44 -9.800 -2.413 -6.504 1.00 2.78 O ATOM 0 H GLU A 44 -4.188 -4.105 -5.280 1.00 0.60 H new ATOM 0 HA GLU A 44 -4.965 -2.814 -7.783 1.00 0.61 H new ATOM 0 HB2 GLU A 44 -6.925 -4.274 -6.904 1.00 0.73 H new ATOM 0 HB3 GLU A 44 -6.982 -3.173 -5.542 1.00 0.73 H new ATOM 0 HG2 GLU A 44 -7.545 -1.294 -6.976 1.00 1.56 H new ATOM 0 HG3 GLU A 44 -7.218 -2.220 -8.426 1.00 1.56 H new ATOM 662 N LEU A 45 -4.578 -0.613 -6.541 1.00 0.70 N ATOM 663 CA LEU A 45 -4.103 0.599 -5.864 1.00 0.74 C ATOM 664 C LEU A 45 -5.261 1.532 -5.472 1.00 0.69 C ATOM 665 O LEU A 45 -6.027 2.006 -6.316 1.00 0.68 O ATOM 666 CB LEU A 45 -3.073 1.288 -6.776 1.00 0.92 C ATOM 667 CG LEU A 45 -2.549 2.633 -6.240 1.00 0.72 C ATOM 668 CD1 LEU A 45 -1.862 2.553 -4.868 1.00 0.68 C ATOM 669 CD2 LEU A 45 -1.554 3.195 -7.254 1.00 1.01 C ATOM 0 H LEU A 45 -4.743 -0.485 -7.539 1.00 0.70 H new ATOM 0 HA LEU A 45 -3.623 0.330 -4.923 1.00 0.74 H new ATOM 0 HB2 LEU A 45 -2.228 0.615 -6.923 1.00 0.92 H new ATOM 0 HB3 LEU A 45 -3.524 1.452 -7.755 1.00 0.92 H new ATOM 0 HG LEU A 45 -3.420 3.274 -6.103 1.00 0.72 H new ATOM 0 HD11 LEU A 45 -1.526 3.546 -4.571 1.00 0.68 H new ATOM 0 HD12 LEU A 45 -2.568 2.173 -4.129 1.00 0.68 H new ATOM 0 HD13 LEU A 45 -1.005 1.883 -4.929 1.00 0.68 H new ATOM 0 HD21 LEU A 45 -1.169 4.149 -6.895 1.00 1.01 H new ATOM 0 HD22 LEU A 45 -0.728 2.495 -7.380 1.00 1.01 H new ATOM 0 HD23 LEU A 45 -2.054 3.342 -8.211 1.00 1.01 H new ATOM 681 N HIS A 46 -5.358 1.830 -4.178 1.00 0.72 N ATOM 682 CA HIS A 46 -6.418 2.622 -3.558 1.00 0.69 C ATOM 683 C HIS A 46 -5.907 3.865 -2.811 1.00 0.78 C ATOM 684 O HIS A 46 -4.753 3.964 -2.385 1.00 0.99 O ATOM 685 CB HIS A 46 -7.168 1.730 -2.551 1.00 0.67 C ATOM 686 CG HIS A 46 -8.050 0.627 -3.074 1.00 0.58 C ATOM 687 ND1 HIS A 46 -8.737 -0.258 -2.259 1.00 0.59 N ATOM 688 CD2 HIS A 46 -8.309 0.272 -4.370 1.00 0.54 C ATOM 689 CE1 HIS A 46 -9.388 -1.113 -3.046 1.00 0.57 C ATOM 690 NE2 HIS A 46 -9.159 -0.813 -4.336 1.00 0.55 N ATOM 0 H HIS A 46 -4.666 1.510 -3.501 1.00 0.72 H new ATOM 0 HA HIS A 46 -7.061 2.974 -4.364 1.00 0.69 H new ATOM 0 HB2 HIS A 46 -6.425 1.275 -1.896 1.00 0.67 H new ATOM 0 HB3 HIS A 46 -7.785 2.380 -1.931 1.00 0.67 H new ATOM 0 HD2 HIS A 46 -7.920 0.753 -5.255 1.00 0.54 H new ATOM 0 HE1 HIS A 46 -10.008 -1.927 -2.699 1.00 0.57 H new ATOM 0 HE2 HIS A 46 -9.545 -1.301 -5.145 1.00 0.55 H new ATOM 698 N GLU A 47 -6.854 4.774 -2.589 1.00 0.67 N ATOM 699 CA GLU A 47 -6.844 5.821 -1.571 1.00 0.69 C ATOM 700 C GLU A 47 -7.755 5.463 -0.377 1.00 0.71 C ATOM 701 O GLU A 47 -8.330 4.371 -0.322 1.00 0.89 O ATOM 702 CB GLU A 47 -7.151 7.165 -2.251 1.00 0.67 C ATOM 703 CG GLU A 47 -8.534 7.391 -2.874 1.00 0.77 C ATOM 704 CD GLU A 47 -9.620 7.600 -1.835 1.00 1.35 C ATOM 705 OE1 GLU A 47 -9.747 8.750 -1.375 1.00 1.92 O ATOM 706 OE2 GLU A 47 -10.318 6.609 -1.522 1.00 3.10 O ATOM 0 H GLU A 47 -7.704 4.800 -3.152 1.00 0.67 H new ATOM 0 HA GLU A 47 -5.857 5.913 -1.117 1.00 0.69 H new ATOM 0 HB2 GLU A 47 -6.992 7.950 -1.512 1.00 0.67 H new ATOM 0 HB3 GLU A 47 -6.410 7.312 -3.036 1.00 0.67 H new ATOM 0 HG2 GLU A 47 -8.494 8.260 -3.531 1.00 0.77 H new ATOM 0 HG3 GLU A 47 -8.792 6.533 -3.495 1.00 0.77 H new ATOM 713 N THR A 48 -7.859 6.359 0.613 1.00 0.76 N ATOM 714 CA THR A 48 -8.827 6.316 1.719 1.00 0.73 C ATOM 715 C THR A 48 -9.033 7.747 2.189 1.00 0.67 C ATOM 716 O THR A 48 -8.093 8.542 2.166 1.00 0.76 O ATOM 717 CB THR A 48 -8.356 5.393 2.854 1.00 0.80 C ATOM 718 OG1 THR A 48 -8.454 4.083 2.361 1.00 0.98 O ATOM 719 CG2 THR A 48 -9.184 5.442 4.138 1.00 0.81 C ATOM 0 H THR A 48 -7.243 7.170 0.668 1.00 0.76 H new ATOM 0 HA THR A 48 -9.774 5.894 1.382 1.00 0.73 H new ATOM 0 HB THR A 48 -7.353 5.722 3.127 1.00 0.80 H new ATOM 0 HG1 THR A 48 -8.547 4.107 1.386 1.00 0.98 H new ATOM 0 HG21 THR A 48 -8.762 4.752 4.869 1.00 0.81 H new ATOM 0 HG22 THR A 48 -9.169 6.454 4.543 1.00 0.81 H new ATOM 0 HG23 THR A 48 -10.212 5.155 3.919 1.00 0.81 H new ATOM 727 N PHE A 49 -10.247 8.079 2.621 1.00 0.61 N ATOM 728 CA PHE A 49 -10.650 9.451 2.908 1.00 0.64 C ATOM 729 C PHE A 49 -11.830 9.537 3.879 1.00 0.59 C ATOM 730 O PHE A 49 -12.370 8.539 4.358 1.00 0.64 O ATOM 731 CB PHE A 49 -10.947 10.193 1.591 1.00 0.80 C ATOM 732 CG PHE A 49 -12.230 9.786 0.884 1.00 0.87 C ATOM 733 CD1 PHE A 49 -12.319 8.540 0.242 1.00 1.74 C ATOM 734 CD2 PHE A 49 -13.319 10.674 0.821 1.00 2.25 C ATOM 735 CE1 PHE A 49 -13.467 8.192 -0.484 1.00 1.75 C ATOM 736 CE2 PHE A 49 -14.478 10.328 0.103 1.00 2.45 C ATOM 737 CZ PHE A 49 -14.543 9.083 -0.566 1.00 1.30 C ATOM 0 H PHE A 49 -10.986 7.395 2.783 1.00 0.61 H new ATOM 0 HA PHE A 49 -9.817 9.939 3.414 1.00 0.64 H new ATOM 0 HB2 PHE A 49 -10.991 11.262 1.799 1.00 0.80 H new ATOM 0 HB3 PHE A 49 -10.111 10.035 0.909 1.00 0.80 H new ATOM 0 HD1 PHE A 49 -11.496 7.844 0.308 1.00 1.74 H new ATOM 0 HD2 PHE A 49 -13.265 11.627 1.327 1.00 2.25 H new ATOM 0 HE1 PHE A 49 -13.521 7.235 -0.981 1.00 1.75 H new ATOM 0 HE2 PHE A 49 -15.315 11.010 0.063 1.00 2.45 H new ATOM 0 HZ PHE A 49 -15.421 8.821 -1.138 1.00 1.30 H new ATOM 747 N MET A 50 -12.233 10.769 4.176 1.00 0.61 N ATOM 748 CA MET A 50 -13.329 11.111 5.083 1.00 0.68 C ATOM 749 C MET A 50 -14.386 11.929 4.341 1.00 0.64 C ATOM 750 O MET A 50 -14.053 12.776 3.514 1.00 0.70 O ATOM 751 CB MET A 50 -12.753 11.899 6.272 1.00 0.87 C ATOM 752 CG MET A 50 -11.897 10.996 7.174 1.00 2.52 C ATOM 753 SD MET A 50 -10.658 11.884 8.151 1.00 3.35 S ATOM 754 CE MET A 50 -9.223 11.640 7.072 1.00 5.28 C ATOM 0 H MET A 50 -11.786 11.594 3.775 1.00 0.61 H new ATOM 0 HA MET A 50 -13.810 10.205 5.453 1.00 0.68 H new ATOM 0 HB2 MET A 50 -12.148 12.728 5.904 1.00 0.87 H new ATOM 0 HB3 MET A 50 -13.567 12.332 6.854 1.00 0.87 H new ATOM 0 HG2 MET A 50 -12.554 10.450 7.851 1.00 2.52 H new ATOM 0 HG3 MET A 50 -11.392 10.256 6.554 1.00 2.52 H new ATOM 0 HE1 MET A 50 -8.350 12.123 7.512 1.00 5.28 H new ATOM 0 HE2 MET A 50 -9.029 10.573 6.960 1.00 5.28 H new ATOM 0 HE3 MET A 50 -9.425 12.077 6.094 1.00 5.28 H new ATOM 764 N ARG A 51 -15.664 11.688 4.647 1.00 0.67 N ATOM 765 CA ARG A 51 -16.797 12.454 4.107 1.00 0.73 C ATOM 766 C ARG A 51 -17.983 12.528 5.076 1.00 0.72 C ATOM 767 O ARG A 51 -18.125 11.700 5.974 1.00 0.80 O ATOM 768 CB ARG A 51 -17.237 11.910 2.732 1.00 1.05 C ATOM 769 CG ARG A 51 -17.697 10.439 2.719 1.00 1.55 C ATOM 770 CD ARG A 51 -18.570 10.119 1.501 1.00 1.83 C ATOM 771 NE ARG A 51 -17.801 10.262 0.253 1.00 2.94 N ATOM 772 CZ ARG A 51 -18.195 10.814 -0.892 1.00 3.86 C ATOM 773 NH1 ARG A 51 -19.433 11.232 -1.097 1.00 3.82 N ATOM 774 NH2 ARG A 51 -17.318 10.961 -1.864 1.00 5.30 N ATOM 0 H ARG A 51 -15.947 10.945 5.286 1.00 0.67 H new ATOM 0 HA ARG A 51 -16.440 13.475 3.973 1.00 0.73 H new ATOM 0 HB2 ARG A 51 -18.051 12.531 2.358 1.00 1.05 H new ATOM 0 HB3 ARG A 51 -16.407 12.019 2.034 1.00 1.05 H new ATOM 0 HG2 ARG A 51 -16.824 9.787 2.720 1.00 1.55 H new ATOM 0 HG3 ARG A 51 -18.255 10.226 3.631 1.00 1.55 H new ATOM 0 HD2 ARG A 51 -18.955 9.103 1.581 1.00 1.83 H new ATOM 0 HD3 ARG A 51 -19.432 10.786 1.481 1.00 1.83 H new ATOM 0 HE ARG A 51 -16.850 9.893 0.268 1.00 2.94 H new ATOM 0 HH11 ARG A 51 -20.132 11.137 -0.360 1.00 3.82 H new ATOM 0 HH12 ARG A 51 -19.689 11.649 -1.992 1.00 3.82 H new ATOM 0 HH21 ARG A 51 -16.354 10.654 -1.732 1.00 5.30 H new ATOM 0 HH22 ARG A 51 -17.603 11.382 -2.748 1.00 5.30 H new ATOM 788 N GLU A 52 -18.883 13.471 4.830 1.00 0.82 N ATOM 789 CA GLU A 52 -20.231 13.464 5.383 1.00 0.98 C ATOM 790 C GLU A 52 -21.138 12.546 4.569 1.00 1.31 C ATOM 791 O GLU A 52 -21.013 12.485 3.346 1.00 1.55 O ATOM 792 CB GLU A 52 -20.777 14.900 5.377 1.00 1.30 C ATOM 793 CG GLU A 52 -20.845 15.474 6.788 1.00 1.42 C ATOM 794 CD GLU A 52 -19.494 15.708 7.460 1.00 2.02 C ATOM 795 OE1 GLU A 52 -18.708 14.744 7.549 1.00 3.07 O ATOM 796 OE2 GLU A 52 -19.318 16.801 8.038 1.00 2.64 O ATOM 0 H GLU A 52 -18.694 14.275 4.231 1.00 0.82 H new ATOM 0 HA GLU A 52 -20.203 13.087 6.405 1.00 0.98 H new ATOM 0 HB2 GLU A 52 -20.141 15.531 4.756 1.00 1.30 H new ATOM 0 HB3 GLU A 52 -21.771 14.911 4.929 1.00 1.30 H new ATOM 0 HG2 GLU A 52 -21.384 16.421 6.752 1.00 1.42 H new ATOM 0 HG3 GLU A 52 -21.430 14.797 7.411 1.00 1.42 H new ATOM 803 N VAL A 53 -22.079 11.885 5.249 1.00 1.45 N ATOM 804 CA VAL A 53 -23.239 11.223 4.606 1.00 1.85 C ATOM 805 C VAL A 53 -24.609 11.643 5.169 1.00 1.84 C ATOM 806 O VAL A 53 -25.641 11.146 4.732 1.00 2.92 O ATOM 807 CB VAL A 53 -23.096 9.679 4.618 1.00 2.13 C ATOM 808 CG1 VAL A 53 -21.833 9.219 3.867 1.00 3.23 C ATOM 809 CG2 VAL A 53 -23.085 9.125 6.054 1.00 3.35 C ATOM 0 H VAL A 53 -22.066 11.788 6.264 1.00 1.45 H new ATOM 0 HA VAL A 53 -23.220 11.576 3.575 1.00 1.85 H new ATOM 0 HB VAL A 53 -23.968 9.279 4.099 1.00 2.13 H new ATOM 0 HG11 VAL A 53 -21.768 8.131 3.897 1.00 3.23 H new ATOM 0 HG12 VAL A 53 -21.885 9.551 2.830 1.00 3.23 H new ATOM 0 HG13 VAL A 53 -20.951 9.649 4.341 1.00 3.23 H new ATOM 0 HG21 VAL A 53 -22.983 8.040 6.025 1.00 3.35 H new ATOM 0 HG22 VAL A 53 -22.246 9.553 6.603 1.00 3.35 H new ATOM 0 HG23 VAL A 53 -24.018 9.389 6.553 1.00 3.35 H new ATOM 819 N GLU A 54 -24.606 12.570 6.134 1.00 2.11 N ATOM 820 CA GLU A 54 -25.740 12.952 6.989 1.00 2.18 C ATOM 821 C GLU A 54 -25.384 14.108 7.961 1.00 1.91 C ATOM 822 O GLU A 54 -25.907 14.183 9.068 1.00 2.05 O ATOM 823 CB GLU A 54 -26.216 11.717 7.788 1.00 2.54 C ATOM 824 CG GLU A 54 -27.696 11.827 8.166 1.00 2.92 C ATOM 825 CD GLU A 54 -27.958 11.299 9.573 1.00 3.79 C ATOM 826 OE1 GLU A 54 -27.500 10.184 9.916 1.00 4.31 O ATOM 827 OE2 GLU A 54 -28.517 12.048 10.405 1.00 4.62 O ATOM 0 H GLU A 54 -23.766 13.105 6.353 1.00 2.11 H new ATOM 0 HA GLU A 54 -26.539 13.314 6.341 1.00 2.18 H new ATOM 0 HB2 GLU A 54 -26.057 10.816 7.195 1.00 2.54 H new ATOM 0 HB3 GLU A 54 -25.616 11.614 8.692 1.00 2.54 H new ATOM 0 HG2 GLU A 54 -28.012 12.868 8.103 1.00 2.92 H new ATOM 0 HG3 GLU A 54 -28.298 11.268 7.449 1.00 2.92 H new ATOM 834 N GLY A 55 -24.357 14.920 7.667 1.00 1.70 N ATOM 835 CA GLY A 55 -23.685 15.743 8.701 1.00 1.72 C ATOM 836 C GLY A 55 -22.808 14.915 9.663 1.00 1.66 C ATOM 837 O GLY A 55 -21.990 15.461 10.407 1.00 2.13 O ATOM 0 H GLY A 55 -23.971 15.029 6.729 1.00 1.70 H new ATOM 0 HA2 GLY A 55 -23.066 16.495 8.212 1.00 1.72 H new ATOM 0 HA3 GLY A 55 -24.440 16.278 9.277 1.00 1.72 H new ATOM 841 N LYS A 56 -22.930 13.585 9.591 1.00 1.39 N ATOM 842 CA LYS A 56 -22.196 12.560 10.292 1.00 1.38 C ATOM 843 C LYS A 56 -21.046 12.097 9.395 1.00 1.18 C ATOM 844 O LYS A 56 -21.209 11.805 8.204 1.00 1.04 O ATOM 845 CB LYS A 56 -23.121 11.378 10.640 1.00 1.53 C ATOM 846 CG LYS A 56 -24.279 11.759 11.576 1.00 1.96 C ATOM 847 CD LYS A 56 -24.950 10.496 12.136 1.00 2.47 C ATOM 848 CE LYS A 56 -26.065 10.829 13.137 1.00 3.39 C ATOM 849 NZ LYS A 56 -27.398 10.911 12.498 1.00 3.34 N ATOM 0 H LYS A 56 -23.624 13.170 8.969 1.00 1.39 H new ATOM 0 HA LYS A 56 -21.801 12.957 11.227 1.00 1.38 H new ATOM 0 HB2 LYS A 56 -23.531 10.964 9.719 1.00 1.53 H new ATOM 0 HB3 LYS A 56 -22.530 10.591 11.108 1.00 1.53 H new ATOM 0 HG2 LYS A 56 -23.906 12.374 12.395 1.00 1.96 H new ATOM 0 HG3 LYS A 56 -25.011 12.358 11.035 1.00 1.96 H new ATOM 0 HD2 LYS A 56 -25.364 9.912 11.314 1.00 2.47 H new ATOM 0 HD3 LYS A 56 -24.200 9.874 12.624 1.00 2.47 H new ATOM 0 HE2 LYS A 56 -26.087 10.068 13.918 1.00 3.39 H new ATOM 0 HE3 LYS A 56 -25.840 11.778 13.623 1.00 3.39 H new ATOM 0 HZ1 LYS A 56 -28.135 10.731 13.209 1.00 3.34 H new ATOM 0 HZ2 LYS A 56 -27.531 11.860 12.093 1.00 3.34 H new ATOM 0 HZ3 LYS A 56 -27.465 10.200 11.742 1.00 3.34 H new ATOM 863 N LYS A 57 -19.893 12.082 10.037 1.00 1.30 N ATOM 864 CA LYS A 57 -18.564 11.821 9.493 1.00 1.25 C ATOM 865 C LYS A 57 -18.397 10.305 9.272 1.00 1.20 C ATOM 866 O LYS A 57 -18.461 9.542 10.232 1.00 1.42 O ATOM 867 CB LYS A 57 -17.483 12.361 10.470 1.00 1.57 C ATOM 868 CG LYS A 57 -17.796 13.619 11.315 1.00 1.77 C ATOM 869 CD LYS A 57 -18.287 14.827 10.511 1.00 2.07 C ATOM 870 CE LYS A 57 -18.587 16.044 11.393 1.00 2.30 C ATOM 871 NZ LYS A 57 -19.489 16.981 10.680 1.00 2.69 N ATOM 0 H LYS A 57 -19.854 12.268 11.039 1.00 1.30 H new ATOM 0 HA LYS A 57 -18.445 12.331 8.537 1.00 1.25 H new ATOM 0 HB2 LYS A 57 -17.231 11.556 11.160 1.00 1.57 H new ATOM 0 HB3 LYS A 57 -16.587 12.572 9.886 1.00 1.57 H new ATOM 0 HG2 LYS A 57 -18.552 13.362 12.057 1.00 1.77 H new ATOM 0 HG3 LYS A 57 -16.897 13.905 11.862 1.00 1.77 H new ATOM 0 HD2 LYS A 57 -17.533 15.097 9.772 1.00 2.07 H new ATOM 0 HD3 LYS A 57 -19.187 14.551 9.962 1.00 2.07 H new ATOM 0 HE2 LYS A 57 -19.049 15.721 12.326 1.00 2.30 H new ATOM 0 HE3 LYS A 57 -17.658 16.550 11.656 1.00 2.30 H new ATOM 0 HZ1 LYS A 57 -19.551 17.874 11.210 1.00 2.69 H new ATOM 0 HZ2 LYS A 57 -19.113 17.168 9.729 1.00 2.69 H new ATOM 0 HZ3 LYS A 57 -20.436 16.559 10.601 1.00 2.69 H new ATOM 885 N VAL A 58 -18.206 9.873 8.030 1.00 1.03 N ATOM 886 CA VAL A 58 -18.085 8.464 7.616 1.00 1.10 C ATOM 887 C VAL A 58 -16.982 8.344 6.560 1.00 1.08 C ATOM 888 O VAL A 58 -16.875 9.175 5.659 1.00 1.31 O ATOM 889 CB VAL A 58 -19.433 7.916 7.080 1.00 1.11 C ATOM 890 CG1 VAL A 58 -19.309 6.511 6.465 1.00 2.22 C ATOM 891 CG2 VAL A 58 -20.483 7.856 8.204 1.00 2.05 C ATOM 0 H VAL A 58 -18.127 10.517 7.243 1.00 1.03 H new ATOM 0 HA VAL A 58 -17.819 7.860 8.484 1.00 1.10 H new ATOM 0 HB VAL A 58 -19.743 8.609 6.298 1.00 1.11 H new ATOM 0 HG11 VAL A 58 -20.285 6.183 6.108 1.00 2.22 H new ATOM 0 HG12 VAL A 58 -18.608 6.540 5.631 1.00 2.22 H new ATOM 0 HG13 VAL A 58 -18.946 5.814 7.220 1.00 2.22 H new ATOM 0 HG21 VAL A 58 -21.421 7.469 7.806 1.00 2.05 H new ATOM 0 HG22 VAL A 58 -20.128 7.200 8.999 1.00 2.05 H new ATOM 0 HG23 VAL A 58 -20.645 8.857 8.605 1.00 2.05 H new ATOM 901 N MET A 59 -16.121 7.334 6.687 1.00 0.95 N ATOM 902 CA MET A 59 -14.975 7.163 5.796 1.00 0.84 C ATOM 903 C MET A 59 -15.310 6.422 4.504 1.00 0.82 C ATOM 904 O MET A 59 -16.298 5.698 4.396 1.00 0.99 O ATOM 905 CB MET A 59 -13.803 6.494 6.521 1.00 0.92 C ATOM 906 CG MET A 59 -13.309 7.364 7.687 1.00 0.97 C ATOM 907 SD MET A 59 -14.217 7.162 9.246 1.00 2.25 S ATOM 908 CE MET A 59 -14.792 8.856 9.519 1.00 3.28 C ATOM 0 H MET A 59 -16.198 6.615 7.407 1.00 0.95 H new ATOM 0 HA MET A 59 -14.677 8.169 5.500 1.00 0.84 H new ATOM 0 HB2 MET A 59 -14.112 5.518 6.896 1.00 0.92 H new ATOM 0 HB3 MET A 59 -12.987 6.322 5.819 1.00 0.92 H new ATOM 0 HG2 MET A 59 -12.258 7.139 7.866 1.00 0.97 H new ATOM 0 HG3 MET A 59 -13.364 8.410 7.387 1.00 0.97 H new ATOM 0 HE1 MET A 59 -15.588 8.855 10.264 1.00 3.28 H new ATOM 0 HE2 MET A 59 -13.963 9.469 9.874 1.00 3.28 H new ATOM 0 HE3 MET A 59 -15.172 9.267 8.583 1.00 3.28 H new ATOM 918 N GLY A 60 -14.445 6.619 3.512 1.00 0.72 N ATOM 919 CA GLY A 60 -14.521 5.996 2.200 1.00 0.81 C ATOM 920 C GLY A 60 -13.171 5.489 1.719 1.00 0.71 C ATOM 921 O GLY A 60 -12.129 5.875 2.236 1.00 0.73 O ATOM 0 H GLY A 60 -13.643 7.241 3.607 1.00 0.72 H new ATOM 0 HA2 GLY A 60 -15.226 5.165 2.236 1.00 0.81 H new ATOM 0 HA3 GLY A 60 -14.913 6.716 1.481 1.00 0.81 H new ATOM 925 N MET A 61 -13.215 4.646 0.692 1.00 0.67 N ATOM 926 CA MET A 61 -12.052 4.118 -0.016 1.00 0.62 C ATOM 927 C MET A 61 -12.408 3.853 -1.470 1.00 0.61 C ATOM 928 O MET A 61 -13.439 3.245 -1.786 1.00 0.82 O ATOM 929 CB MET A 61 -11.587 2.857 0.713 1.00 0.70 C ATOM 930 CG MET A 61 -10.689 1.905 -0.084 1.00 0.77 C ATOM 931 SD MET A 61 -10.460 0.265 0.670 1.00 0.68 S ATOM 932 CE MET A 61 -10.304 0.727 2.415 1.00 1.50 C ATOM 0 H MET A 61 -14.096 4.298 0.315 1.00 0.67 H new ATOM 0 HA MET A 61 -11.233 4.837 -0.022 1.00 0.62 H new ATOM 0 HB2 MET A 61 -11.051 3.160 1.613 1.00 0.70 H new ATOM 0 HB3 MET A 61 -12.469 2.304 1.038 1.00 0.70 H new ATOM 0 HG2 MET A 61 -11.113 1.776 -1.080 1.00 0.77 H new ATOM 0 HG3 MET A 61 -9.712 2.371 -0.212 1.00 0.77 H new ATOM 0 HE1 MET A 61 -9.915 -0.119 2.982 1.00 1.50 H new ATOM 0 HE2 MET A 61 -9.621 1.572 2.508 1.00 1.50 H new ATOM 0 HE3 MET A 61 -11.282 1.006 2.806 1.00 1.50 H new ATOM 942 N ARG A 62 -11.533 4.310 -2.356 1.00 0.55 N ATOM 943 CA ARG A 62 -11.716 4.375 -3.802 1.00 0.61 C ATOM 944 C ARG A 62 -10.387 4.027 -4.514 1.00 0.62 C ATOM 945 O ARG A 62 -9.313 4.216 -3.938 1.00 0.60 O ATOM 946 CB ARG A 62 -12.268 5.785 -4.146 1.00 0.67 C ATOM 947 CG ARG A 62 -13.764 5.999 -3.853 1.00 1.50 C ATOM 948 CD ARG A 62 -14.722 5.159 -4.712 1.00 2.83 C ATOM 949 NE ARG A 62 -14.921 3.830 -4.114 1.00 5.16 N ATOM 950 CZ ARG A 62 -15.663 2.824 -4.544 1.00 7.26 C ATOM 951 NH1 ARG A 62 -16.362 2.882 -5.661 1.00 7.54 N ATOM 952 NH2 ARG A 62 -15.694 1.727 -3.818 1.00 9.18 N ATOM 0 H ARG A 62 -10.622 4.667 -2.068 1.00 0.55 H new ATOM 0 HA ARG A 62 -12.439 3.641 -4.158 1.00 0.61 H new ATOM 0 HB2 ARG A 62 -11.696 6.526 -3.588 1.00 0.67 H new ATOM 0 HB3 ARG A 62 -12.091 5.977 -5.204 1.00 0.67 H new ATOM 0 HG2 ARG A 62 -13.949 5.773 -2.803 1.00 1.50 H new ATOM 0 HG3 ARG A 62 -14.000 7.053 -3.998 1.00 1.50 H new ATOM 0 HD2 ARG A 62 -15.680 5.670 -4.804 1.00 2.83 H new ATOM 0 HD3 ARG A 62 -14.319 5.054 -5.719 1.00 2.83 H new ATOM 0 HE ARG A 62 -14.415 3.661 -3.245 1.00 5.16 H new ATOM 0 HH11 ARG A 62 -16.343 3.728 -6.231 1.00 7.54 H new ATOM 0 HH12 ARG A 62 -16.921 2.081 -5.955 1.00 7.54 H new ATOM 0 HH21 ARG A 62 -15.156 1.672 -2.953 1.00 9.18 H new ATOM 0 HH22 ARG A 62 -16.256 0.931 -4.120 1.00 9.18 H new ATOM 966 N PRO A 63 -10.429 3.440 -5.726 1.00 0.64 N ATOM 967 CA PRO A 63 -9.224 3.118 -6.474 1.00 0.60 C ATOM 968 C PRO A 63 -8.629 4.390 -7.081 1.00 0.58 C ATOM 969 O PRO A 63 -9.359 5.349 -7.336 1.00 0.63 O ATOM 970 CB PRO A 63 -9.658 2.103 -7.530 1.00 0.67 C ATOM 971 CG PRO A 63 -11.095 2.532 -7.833 1.00 0.74 C ATOM 972 CD PRO A 63 -11.607 3.016 -6.471 1.00 0.74 C ATOM 0 HA PRO A 63 -8.437 2.695 -5.850 1.00 0.60 H new ATOM 0 HB2 PRO A 63 -9.026 2.146 -8.417 1.00 0.67 H new ATOM 0 HB3 PRO A 63 -9.611 1.081 -7.154 1.00 0.67 H new ATOM 0 HG2 PRO A 63 -11.130 3.324 -8.582 1.00 0.74 H new ATOM 0 HG3 PRO A 63 -11.691 1.704 -8.217 1.00 0.74 H new ATOM 0 HD2 PRO A 63 -12.311 3.840 -6.589 1.00 0.74 H new ATOM 0 HD3 PRO A 63 -12.134 2.219 -5.947 1.00 0.74 H new ATOM 980 N VAL A 64 -7.315 4.383 -7.312 1.00 0.54 N ATOM 981 CA VAL A 64 -6.576 5.502 -7.929 1.00 0.54 C ATOM 982 C VAL A 64 -5.566 4.972 -8.962 1.00 0.53 C ATOM 983 O VAL A 64 -5.077 3.855 -8.793 1.00 0.53 O ATOM 984 CB VAL A 64 -5.883 6.409 -6.879 1.00 0.56 C ATOM 985 CG1 VAL A 64 -6.922 7.100 -5.987 1.00 0.58 C ATOM 986 CG2 VAL A 64 -4.839 5.690 -6.016 1.00 0.75 C ATOM 0 H VAL A 64 -6.719 3.590 -7.074 1.00 0.54 H new ATOM 0 HA VAL A 64 -7.305 6.129 -8.442 1.00 0.54 H new ATOM 0 HB VAL A 64 -5.335 7.154 -7.456 1.00 0.56 H new ATOM 0 HG11 VAL A 64 -6.414 7.731 -5.258 1.00 0.58 H new ATOM 0 HG12 VAL A 64 -7.579 7.714 -6.603 1.00 0.58 H new ATOM 0 HG13 VAL A 64 -7.512 6.347 -5.466 1.00 0.58 H new ATOM 0 HG21 VAL A 64 -4.403 6.396 -5.309 1.00 0.75 H new ATOM 0 HG22 VAL A 64 -5.316 4.877 -5.469 1.00 0.75 H new ATOM 0 HG23 VAL A 64 -4.054 5.286 -6.656 1.00 0.75 H new ATOM 996 N PRO A 65 -5.262 5.730 -10.039 1.00 0.57 N ATOM 997 CA PRO A 65 -4.483 5.242 -11.176 1.00 0.57 C ATOM 998 C PRO A 65 -2.988 5.143 -10.869 1.00 0.52 C ATOM 999 O PRO A 65 -2.296 4.371 -11.525 1.00 0.52 O ATOM 1000 CB PRO A 65 -4.770 6.232 -12.310 1.00 0.62 C ATOM 1001 CG PRO A 65 -5.004 7.549 -11.575 1.00 0.62 C ATOM 1002 CD PRO A 65 -5.687 7.105 -10.283 1.00 0.61 C ATOM 0 HA PRO A 65 -4.769 4.224 -11.441 1.00 0.57 H new ATOM 0 HB2 PRO A 65 -3.933 6.302 -13.004 1.00 0.62 H new ATOM 0 HB3 PRO A 65 -5.643 5.935 -12.892 1.00 0.62 H new ATOM 0 HG2 PRO A 65 -4.069 8.073 -11.378 1.00 0.62 H new ATOM 0 HG3 PRO A 65 -5.633 8.227 -12.152 1.00 0.62 H new ATOM 0 HD2 PRO A 65 -5.403 7.752 -9.453 1.00 0.61 H new ATOM 0 HD3 PRO A 65 -6.771 7.165 -10.377 1.00 0.61 H new ATOM 1010 N PHE A 66 -2.518 5.908 -9.880 1.00 0.49 N ATOM 1011 CA PHE A 66 -1.131 5.968 -9.415 1.00 0.43 C ATOM 1012 C PHE A 66 -1.000 6.851 -8.160 1.00 0.40 C ATOM 1013 O PHE A 66 -1.944 7.550 -7.779 1.00 0.44 O ATOM 1014 CB PHE A 66 -0.181 6.435 -10.537 1.00 0.43 C ATOM 1015 CG PHE A 66 -0.446 7.834 -11.023 1.00 0.45 C ATOM 1016 CD1 PHE A 66 0.158 8.926 -10.380 1.00 1.63 C ATOM 1017 CD2 PHE A 66 -1.330 8.041 -12.093 1.00 1.70 C ATOM 1018 CE1 PHE A 66 -0.142 10.235 -10.774 1.00 1.65 C ATOM 1019 CE2 PHE A 66 -1.609 9.354 -12.518 1.00 1.71 C ATOM 1020 CZ PHE A 66 -1.019 10.450 -11.853 1.00 0.51 C ATOM 0 H PHE A 66 -3.128 6.535 -9.355 1.00 0.49 H new ATOM 0 HA PHE A 66 -0.833 4.957 -9.137 1.00 0.43 H new ATOM 0 HB2 PHE A 66 0.846 6.375 -10.177 1.00 0.43 H new ATOM 0 HB3 PHE A 66 -0.264 5.747 -11.379 1.00 0.43 H new ATOM 0 HD1 PHE A 66 0.859 8.755 -9.576 1.00 1.63 H new ATOM 0 HD2 PHE A 66 -1.793 7.199 -12.587 1.00 1.70 H new ATOM 0 HE1 PHE A 66 0.296 11.074 -10.254 1.00 1.65 H new ATOM 0 HE2 PHE A 66 -2.274 9.522 -13.352 1.00 1.71 H new ATOM 0 HZ PHE A 66 -1.241 11.457 -12.173 1.00 0.51 H new ATOM 1030 N LEU A 67 0.199 6.844 -7.568 1.00 0.43 N ATOM 1031 CA LEU A 67 0.725 7.833 -6.627 1.00 0.43 C ATOM 1032 C LEU A 67 1.956 8.516 -7.225 1.00 0.44 C ATOM 1033 O LEU A 67 2.678 7.921 -8.025 1.00 0.44 O ATOM 1034 CB LEU A 67 1.162 7.166 -5.308 1.00 0.46 C ATOM 1035 CG LEU A 67 0.182 6.187 -4.651 1.00 0.50 C ATOM 1036 CD1 LEU A 67 0.795 5.727 -3.327 1.00 0.60 C ATOM 1037 CD2 LEU A 67 -1.181 6.817 -4.400 1.00 0.51 C ATOM 0 H LEU A 67 0.870 6.097 -7.747 1.00 0.43 H new ATOM 0 HA LEU A 67 -0.069 8.554 -6.433 1.00 0.43 H new ATOM 0 HB2 LEU A 67 2.095 6.634 -5.493 1.00 0.46 H new ATOM 0 HB3 LEU A 67 1.382 7.955 -4.589 1.00 0.46 H new ATOM 0 HG LEU A 67 0.020 5.346 -5.325 1.00 0.50 H new ATOM 0 HD11 LEU A 67 0.118 5.028 -2.836 1.00 0.60 H new ATOM 0 HD12 LEU A 67 1.748 5.235 -3.519 1.00 0.60 H new ATOM 0 HD13 LEU A 67 0.956 6.590 -2.681 1.00 0.60 H new ATOM 0 HD21 LEU A 67 -1.840 6.085 -3.934 1.00 0.51 H new ATOM 0 HD22 LEU A 67 -1.068 7.677 -3.739 1.00 0.51 H new ATOM 0 HD23 LEU A 67 -1.612 7.141 -5.347 1.00 0.51 H new ATOM 1049 N GLU A 68 2.216 9.739 -6.779 1.00 0.50 N ATOM 1050 CA GLU A 68 3.428 10.484 -7.104 1.00 0.55 C ATOM 1051 C GLU A 68 4.285 10.581 -5.846 1.00 0.62 C ATOM 1052 O GLU A 68 3.746 10.771 -4.754 1.00 0.71 O ATOM 1053 CB GLU A 68 3.051 11.893 -7.592 1.00 0.72 C ATOM 1054 CG GLU A 68 4.249 12.676 -8.156 1.00 0.76 C ATOM 1055 CD GLU A 68 4.547 12.332 -9.623 1.00 0.72 C ATOM 1056 OE1 GLU A 68 4.226 11.212 -10.076 1.00 1.55 O ATOM 1057 OE2 GLU A 68 5.021 13.212 -10.369 1.00 1.55 O ATOM 0 H GLU A 68 1.579 10.251 -6.169 1.00 0.50 H new ATOM 0 HA GLU A 68 3.983 9.977 -7.893 1.00 0.55 H new ATOM 0 HB2 GLU A 68 2.283 11.811 -8.361 1.00 0.72 H new ATOM 0 HB3 GLU A 68 2.615 12.453 -6.765 1.00 0.72 H new ATOM 0 HG2 GLU A 68 4.051 13.745 -8.071 1.00 0.76 H new ATOM 0 HG3 GLU A 68 5.132 12.466 -7.552 1.00 0.76 H new ATOM 1064 N VAL A 69 5.610 10.520 -6.010 1.00 0.66 N ATOM 1065 CA VAL A 69 6.554 10.941 -4.967 1.00 0.74 C ATOM 1066 C VAL A 69 7.673 11.821 -5.549 1.00 0.73 C ATOM 1067 O VAL A 69 8.343 11.391 -6.492 1.00 0.71 O ATOM 1068 CB VAL A 69 7.149 9.730 -4.195 1.00 0.78 C ATOM 1069 CG1 VAL A 69 8.044 10.160 -3.018 1.00 0.86 C ATOM 1070 CG2 VAL A 69 6.064 8.800 -3.627 1.00 0.86 C ATOM 0 H VAL A 69 6.057 10.181 -6.862 1.00 0.66 H new ATOM 0 HA VAL A 69 5.989 11.538 -4.251 1.00 0.74 H new ATOM 0 HB VAL A 69 7.742 9.200 -4.940 1.00 0.78 H new ATOM 0 HG11 VAL A 69 8.433 9.275 -2.514 1.00 0.86 H new ATOM 0 HG12 VAL A 69 8.874 10.759 -3.392 1.00 0.86 H new ATOM 0 HG13 VAL A 69 7.459 10.751 -2.313 1.00 0.86 H new ATOM 0 HG21 VAL A 69 6.535 7.972 -3.098 1.00 0.86 H new ATOM 0 HG22 VAL A 69 5.431 9.358 -2.937 1.00 0.86 H new ATOM 0 HG23 VAL A 69 5.455 8.410 -4.443 1.00 0.86 H new ATOM 1080 N PRO A 70 7.907 13.035 -5.004 1.00 0.81 N ATOM 1081 CA PRO A 70 8.937 13.956 -5.482 1.00 0.85 C ATOM 1082 C PRO A 70 10.347 13.410 -5.200 1.00 0.79 C ATOM 1083 O PRO A 70 10.488 12.492 -4.390 1.00 0.79 O ATOM 1084 CB PRO A 70 8.675 15.274 -4.744 1.00 1.00 C ATOM 1085 CG PRO A 70 8.058 14.819 -3.426 1.00 1.02 C ATOM 1086 CD PRO A 70 7.223 13.617 -3.853 1.00 0.93 C ATOM 0 HA PRO A 70 8.892 14.092 -6.562 1.00 0.85 H new ATOM 0 HB2 PRO A 70 9.595 15.836 -4.585 1.00 1.00 H new ATOM 0 HB3 PRO A 70 7.999 15.921 -5.303 1.00 1.00 H new ATOM 0 HG2 PRO A 70 8.818 14.546 -2.694 1.00 1.02 H new ATOM 0 HG3 PRO A 70 7.446 15.599 -2.973 1.00 1.02 H new ATOM 0 HD2 PRO A 70 7.140 12.893 -3.042 1.00 0.93 H new ATOM 0 HD3 PRO A 70 6.209 13.920 -4.115 1.00 0.93 H new ATOM 1094 N PRO A 71 11.396 13.957 -5.846 1.00 0.82 N ATOM 1095 CA PRO A 71 12.770 13.512 -5.645 1.00 0.77 C ATOM 1096 C PRO A 71 13.244 13.718 -4.210 1.00 0.81 C ATOM 1097 O PRO A 71 13.025 14.775 -3.618 1.00 0.88 O ATOM 1098 CB PRO A 71 13.611 14.301 -6.644 1.00 0.86 C ATOM 1099 CG PRO A 71 12.773 15.520 -7.000 1.00 0.99 C ATOM 1100 CD PRO A 71 11.345 15.005 -6.857 1.00 0.95 C ATOM 0 HA PRO A 71 12.860 12.439 -5.811 1.00 0.77 H new ATOM 0 HB2 PRO A 71 14.566 14.594 -6.209 1.00 0.86 H new ATOM 0 HB3 PRO A 71 13.833 13.704 -7.529 1.00 0.86 H new ATOM 0 HG2 PRO A 71 12.970 16.356 -6.329 1.00 0.99 H new ATOM 0 HG3 PRO A 71 12.977 15.869 -8.012 1.00 0.99 H new ATOM 0 HD2 PRO A 71 10.670 15.806 -6.555 1.00 0.95 H new ATOM 0 HD3 PRO A 71 10.974 14.615 -7.805 1.00 0.95 H new ATOM 1108 N LYS A 72 13.920 12.698 -3.667 1.00 0.85 N ATOM 1109 CA LYS A 72 14.616 12.738 -2.369 1.00 0.95 C ATOM 1110 C LYS A 72 13.685 13.064 -1.194 1.00 0.99 C ATOM 1111 O LYS A 72 14.017 13.787 -0.257 1.00 1.44 O ATOM 1112 CB LYS A 72 15.917 13.539 -2.501 1.00 1.27 C ATOM 1113 CG LYS A 72 16.687 12.897 -3.671 1.00 1.84 C ATOM 1114 CD LYS A 72 18.191 12.986 -3.561 1.00 1.19 C ATOM 1115 CE LYS A 72 18.676 14.374 -3.993 1.00 1.74 C ATOM 1116 NZ LYS A 72 20.019 14.314 -4.611 1.00 2.33 N ATOM 0 H LYS A 72 14.002 11.793 -4.131 1.00 0.85 H new ATOM 0 HA LYS A 72 14.942 11.738 -2.085 1.00 0.95 H new ATOM 0 HB2 LYS A 72 15.710 14.591 -2.699 1.00 1.27 H new ATOM 0 HB3 LYS A 72 16.498 13.496 -1.580 1.00 1.27 H new ATOM 0 HG2 LYS A 72 16.403 11.847 -3.742 1.00 1.84 H new ATOM 0 HG3 LYS A 72 16.375 13.375 -4.599 1.00 1.84 H new ATOM 0 HD2 LYS A 72 18.499 12.789 -2.534 1.00 1.19 H new ATOM 0 HD3 LYS A 72 18.654 12.221 -4.185 1.00 1.19 H new ATOM 0 HE2 LYS A 72 17.968 14.803 -4.702 1.00 1.74 H new ATOM 0 HE3 LYS A 72 18.702 15.036 -3.128 1.00 1.74 H new ATOM 0 HZ1 LYS A 72 20.112 15.075 -5.313 1.00 2.33 H new ATOM 0 HZ2 LYS A 72 20.745 14.430 -3.876 1.00 2.33 H new ATOM 0 HZ3 LYS A 72 20.145 13.394 -5.079 1.00 2.33 H new ATOM 1130 N GLY A 73 12.502 12.457 -1.292 1.00 1.08 N ATOM 1131 CA GLY A 73 11.371 12.525 -0.355 1.00 1.13 C ATOM 1132 C GLY A 73 10.625 11.197 -0.193 1.00 1.00 C ATOM 1133 O GLY A 73 10.774 10.285 -1.008 1.00 1.05 O ATOM 0 H GLY A 73 12.289 11.857 -2.089 1.00 1.08 H new ATOM 0 HA2 GLY A 73 11.737 12.847 0.620 1.00 1.13 H new ATOM 0 HA3 GLY A 73 10.670 13.286 -0.700 1.00 1.13 H new ATOM 1137 N ARG A 74 9.800 11.092 0.858 1.00 1.11 N ATOM 1138 CA ARG A 74 9.029 9.915 1.231 1.00 1.07 C ATOM 1139 C ARG A 74 7.522 10.156 1.091 1.00 1.28 C ATOM 1140 O ARG A 74 7.042 11.242 1.401 1.00 1.68 O ATOM 1141 CB ARG A 74 9.421 9.574 2.684 1.00 1.45 C ATOM 1142 CG ARG A 74 8.535 8.483 3.303 1.00 2.30 C ATOM 1143 CD ARG A 74 9.177 7.551 4.332 1.00 2.12 C ATOM 1144 NE ARG A 74 10.255 8.171 5.090 1.00 2.19 N ATOM 1145 CZ ARG A 74 10.217 8.742 6.274 1.00 2.48 C ATOM 1146 NH1 ARG A 74 9.101 8.890 6.954 1.00 3.01 N ATOM 1147 NH2 ARG A 74 11.355 9.179 6.762 1.00 3.59 N ATOM 0 H ARG A 74 9.650 11.871 1.499 1.00 1.11 H new ATOM 0 HA ARG A 74 9.253 9.081 0.566 1.00 1.07 H new ATOM 0 HB2 ARG A 74 10.461 9.247 2.707 1.00 1.45 H new ATOM 0 HB3 ARG A 74 9.357 10.476 3.293 1.00 1.45 H new ATOM 0 HG2 ARG A 74 7.683 8.970 3.776 1.00 2.30 H new ATOM 0 HG3 ARG A 74 8.142 7.869 2.493 1.00 2.30 H new ATOM 0 HD2 ARG A 74 8.410 7.205 5.025 1.00 2.12 H new ATOM 0 HD3 ARG A 74 9.564 6.670 3.820 1.00 2.12 H new ATOM 0 HE ARG A 74 11.169 8.161 4.638 1.00 2.19 H new ATOM 0 HH11 ARG A 74 8.219 8.556 6.566 1.00 3.01 H new ATOM 0 HH12 ARG A 74 9.117 9.339 7.870 1.00 3.01 H new ATOM 0 HH21 ARG A 74 12.216 9.068 6.226 1.00 3.59 H new ATOM 0 HH22 ARG A 74 11.378 9.629 7.677 1.00 3.59 H new ATOM 1161 N VAL A 75 6.787 9.102 0.724 1.00 1.36 N ATOM 1162 CA VAL A 75 5.366 8.918 1.062 1.00 1.88 C ATOM 1163 C VAL A 75 5.138 7.446 1.416 1.00 1.41 C ATOM 1164 O VAL A 75 5.286 6.575 0.566 1.00 1.46 O ATOM 1165 CB VAL A 75 4.410 9.310 -0.090 1.00 2.76 C ATOM 1166 CG1 VAL A 75 2.937 9.114 0.328 1.00 3.42 C ATOM 1167 CG2 VAL A 75 4.576 10.773 -0.539 1.00 3.34 C ATOM 0 H VAL A 75 7.169 8.334 0.171 1.00 1.36 H new ATOM 0 HA VAL A 75 5.142 9.577 1.901 1.00 1.88 H new ATOM 0 HB VAL A 75 4.673 8.655 -0.921 1.00 2.76 H new ATOM 0 HG11 VAL A 75 2.284 9.396 -0.498 1.00 3.42 H new ATOM 0 HG12 VAL A 75 2.767 8.068 0.584 1.00 3.42 H new ATOM 0 HG13 VAL A 75 2.718 9.739 1.194 1.00 3.42 H new ATOM 0 HG21 VAL A 75 3.878 10.986 -1.349 1.00 3.34 H new ATOM 0 HG22 VAL A 75 4.371 11.437 0.301 1.00 3.34 H new ATOM 0 HG23 VAL A 75 5.596 10.933 -0.887 1.00 3.34 H new ATOM 1177 N GLU A 76 4.751 7.162 2.658 1.00 1.37 N ATOM 1178 CA GLU A 76 4.306 5.832 3.095 1.00 1.14 C ATOM 1179 C GLU A 76 2.849 5.587 2.686 1.00 1.11 C ATOM 1180 O GLU A 76 2.044 6.524 2.703 1.00 1.27 O ATOM 1181 CB GLU A 76 4.416 5.640 4.624 1.00 1.42 C ATOM 1182 CG GLU A 76 5.657 6.246 5.300 1.00 1.88 C ATOM 1183 CD GLU A 76 5.588 7.762 5.531 1.00 1.87 C ATOM 1184 OE1 GLU A 76 4.617 8.416 5.077 1.00 2.36 O ATOM 1185 OE2 GLU A 76 6.554 8.292 6.116 1.00 3.04 O ATOM 0 H GLU A 76 4.736 7.858 3.404 1.00 1.37 H new ATOM 0 HA GLU A 76 4.968 5.118 2.606 1.00 1.14 H new ATOM 0 HB2 GLU A 76 3.529 6.072 5.088 1.00 1.42 H new ATOM 0 HB3 GLU A 76 4.398 4.571 4.837 1.00 1.42 H new ATOM 0 HG2 GLU A 76 5.808 5.753 6.260 1.00 1.88 H new ATOM 0 HG3 GLU A 76 6.531 6.025 4.688 1.00 1.88 H new ATOM 1192 N LEU A 77 2.474 4.337 2.400 1.00 1.01 N ATOM 1193 CA LEU A 77 1.107 3.949 2.047 1.00 1.00 C ATOM 1194 C LEU A 77 0.223 3.664 3.294 1.00 1.46 C ATOM 1195 O LEU A 77 -0.415 2.621 3.416 1.00 2.52 O ATOM 1196 CB LEU A 77 1.158 2.806 1.004 1.00 0.95 C ATOM 1197 CG LEU A 77 1.433 3.283 -0.447 1.00 0.83 C ATOM 1198 CD1 LEU A 77 2.919 3.218 -0.837 1.00 0.87 C ATOM 1199 CD2 LEU A 77 0.633 2.435 -1.448 1.00 1.20 C ATOM 0 H LEU A 77 3.125 3.552 2.408 1.00 1.01 H new ATOM 0 HA LEU A 77 0.598 4.789 1.574 1.00 1.00 H new ATOM 0 HB2 LEU A 77 1.934 2.098 1.295 1.00 0.95 H new ATOM 0 HB3 LEU A 77 0.210 2.268 1.024 1.00 0.95 H new ATOM 0 HG LEU A 77 1.122 4.327 -0.482 1.00 0.83 H new ATOM 0 HD11 LEU A 77 3.041 3.565 -1.863 1.00 0.87 H new ATOM 0 HD12 LEU A 77 3.499 3.853 -0.167 1.00 0.87 H new ATOM 0 HD13 LEU A 77 3.271 2.190 -0.757 1.00 0.87 H new ATOM 0 HD21 LEU A 77 0.836 2.781 -2.462 1.00 1.20 H new ATOM 0 HD22 LEU A 77 0.927 1.389 -1.356 1.00 1.20 H new ATOM 0 HD23 LEU A 77 -0.432 2.532 -1.238 1.00 1.20 H new ATOM 1211 N LYS A 78 0.177 4.605 4.245 1.00 1.22 N ATOM 1212 CA LYS A 78 -0.603 4.481 5.490 1.00 1.57 C ATOM 1213 C LYS A 78 -2.088 4.057 5.308 1.00 1.39 C ATOM 1214 O LYS A 78 -2.736 4.536 4.373 1.00 1.13 O ATOM 1215 CB LYS A 78 -0.518 5.785 6.316 1.00 1.92 C ATOM 1216 CG LYS A 78 -1.124 7.064 5.677 1.00 1.62 C ATOM 1217 CD LYS A 78 -0.224 7.826 4.686 1.00 2.07 C ATOM 1218 CE LYS A 78 1.155 8.186 5.269 1.00 2.48 C ATOM 1219 NZ LYS A 78 2.047 8.807 4.261 1.00 2.89 N ATOM 0 H LYS A 78 0.686 5.486 4.174 1.00 1.22 H new ATOM 0 HA LYS A 78 -0.136 3.656 6.028 1.00 1.57 H new ATOM 0 HB2 LYS A 78 -1.016 5.615 7.271 1.00 1.92 H new ATOM 0 HB3 LYS A 78 0.532 5.980 6.534 1.00 1.92 H new ATOM 0 HG2 LYS A 78 -2.042 6.786 5.160 1.00 1.62 H new ATOM 0 HG3 LYS A 78 -1.404 7.747 6.479 1.00 1.62 H new ATOM 0 HD2 LYS A 78 -0.085 7.219 3.791 1.00 2.07 H new ATOM 0 HD3 LYS A 78 -0.730 8.740 4.376 1.00 2.07 H new ATOM 0 HE2 LYS A 78 1.025 8.871 6.107 1.00 2.48 H new ATOM 0 HE3 LYS A 78 1.627 7.286 5.663 1.00 2.48 H new ATOM 0 HZ1 LYS A 78 2.999 8.923 4.664 1.00 2.89 H new ATOM 0 HZ2 LYS A 78 2.099 8.197 3.421 1.00 2.89 H new ATOM 0 HZ3 LYS A 78 1.670 9.738 3.990 1.00 2.89 H new ATOM 1233 N PRO A 79 -2.675 3.278 6.254 1.00 1.97 N ATOM 1234 CA PRO A 79 -4.087 2.872 6.226 1.00 2.27 C ATOM 1235 C PRO A 79 -5.073 4.043 6.181 1.00 1.97 C ATOM 1236 O PRO A 79 -6.115 3.932 5.542 1.00 2.92 O ATOM 1237 CB PRO A 79 -4.322 2.047 7.499 1.00 2.96 C ATOM 1238 CG PRO A 79 -3.170 2.422 8.421 1.00 3.00 C ATOM 1239 CD PRO A 79 -2.036 2.733 7.450 1.00 2.64 C ATOM 0 HA PRO A 79 -4.270 2.309 5.311 1.00 2.27 H new ATOM 0 HB2 PRO A 79 -5.285 2.284 7.952 1.00 2.96 H new ATOM 0 HB3 PRO A 79 -4.325 0.979 7.283 1.00 2.96 H new ATOM 0 HG2 PRO A 79 -3.415 3.283 9.043 1.00 3.00 H new ATOM 0 HG3 PRO A 79 -2.911 1.605 9.095 1.00 3.00 H new ATOM 0 HD2 PRO A 79 -1.337 3.450 7.881 1.00 2.64 H new ATOM 0 HD3 PRO A 79 -1.466 1.835 7.214 1.00 2.64 H new ATOM 1247 N GLY A 80 -4.737 5.176 6.812 1.00 1.10 N ATOM 1248 CA GLY A 80 -5.527 6.413 6.776 1.00 1.07 C ATOM 1249 C GLY A 80 -5.387 7.187 5.462 1.00 1.19 C ATOM 1250 O GLY A 80 -5.416 8.414 5.483 1.00 2.03 O ATOM 0 H GLY A 80 -3.890 5.259 7.374 1.00 1.10 H new ATOM 0 HA2 GLY A 80 -6.577 6.169 6.935 1.00 1.07 H new ATOM 0 HA3 GLY A 80 -5.220 7.055 7.602 1.00 1.07 H new ATOM 1254 N GLY A 81 -5.172 6.479 4.348 1.00 0.91 N ATOM 1255 CA GLY A 81 -5.096 7.022 2.996 1.00 0.97 C ATOM 1256 C GLY A 81 -4.667 5.995 1.955 1.00 0.99 C ATOM 1257 O GLY A 81 -5.310 4.964 1.765 1.00 1.60 O ATOM 0 H GLY A 81 -5.041 5.468 4.370 1.00 0.91 H new ATOM 0 HA2 GLY A 81 -6.070 7.424 2.719 1.00 0.97 H new ATOM 0 HA3 GLY A 81 -4.393 7.855 2.986 1.00 0.97 H new ATOM 1261 N TYR A 82 -3.581 6.289 1.243 1.00 1.03 N ATOM 1262 CA TYR A 82 -3.177 5.493 0.084 1.00 1.04 C ATOM 1263 C TYR A 82 -2.596 4.145 0.471 1.00 1.10 C ATOM 1264 O TYR A 82 -1.760 4.060 1.352 1.00 1.27 O ATOM 1265 CB TYR A 82 -2.131 6.229 -0.745 1.00 1.03 C ATOM 1266 CG TYR A 82 -2.640 7.505 -1.358 1.00 0.98 C ATOM 1267 CD1 TYR A 82 -3.604 7.416 -2.372 1.00 2.10 C ATOM 1268 CD2 TYR A 82 -2.156 8.759 -0.946 1.00 2.14 C ATOM 1269 CE1 TYR A 82 -4.074 8.577 -2.998 1.00 2.08 C ATOM 1270 CE2 TYR A 82 -2.638 9.931 -1.559 1.00 2.17 C ATOM 1271 CZ TYR A 82 -3.600 9.842 -2.593 1.00 0.99 C ATOM 1272 OH TYR A 82 -4.070 10.969 -3.187 1.00 1.04 O ATOM 0 H TYR A 82 -2.963 7.074 1.448 1.00 1.03 H new ATOM 0 HA TYR A 82 -4.087 5.333 -0.494 1.00 1.04 H new ATOM 0 HB2 TYR A 82 -1.272 6.456 -0.113 1.00 1.03 H new ATOM 0 HB3 TYR A 82 -1.778 5.570 -1.538 1.00 1.03 H new ATOM 0 HD1 TYR A 82 -3.985 6.450 -2.671 1.00 2.10 H new ATOM 0 HD2 TYR A 82 -1.417 8.823 -0.161 1.00 2.14 H new ATOM 0 HE1 TYR A 82 -4.801 8.504 -3.793 1.00 2.08 H new ATOM 0 HE2 TYR A 82 -2.274 10.897 -1.241 1.00 2.17 H new ATOM 0 HH TYR A 82 -3.639 11.753 -2.788 1.00 1.04 H new ATOM 1282 N HIS A 83 -3.027 3.106 -0.227 1.00 1.00 N ATOM 1283 CA HIS A 83 -2.645 1.715 0.054 1.00 0.98 C ATOM 1284 C HIS A 83 -2.859 0.763 -1.128 1.00 0.87 C ATOM 1285 O HIS A 83 -3.621 1.061 -2.046 1.00 1.01 O ATOM 1286 CB HIS A 83 -3.349 1.214 1.316 1.00 0.99 C ATOM 1287 CG HIS A 83 -4.836 1.096 1.174 1.00 0.91 C ATOM 1288 ND1 HIS A 83 -5.739 2.127 1.292 1.00 0.88 N ATOM 1289 CD2 HIS A 83 -5.523 -0.029 0.797 1.00 0.86 C ATOM 1290 CE1 HIS A 83 -6.942 1.648 0.956 1.00 0.81 C ATOM 1291 NE2 HIS A 83 -6.859 0.341 0.666 1.00 0.81 N ATOM 0 H HIS A 83 -3.663 3.198 -1.019 1.00 1.00 H new ATOM 0 HA HIS A 83 -1.569 1.718 0.226 1.00 0.98 H new ATOM 0 HB2 HIS A 83 -2.941 0.240 1.586 1.00 0.99 H new ATOM 0 HB3 HIS A 83 -3.125 1.892 2.139 1.00 0.99 H new ATOM 0 HD1 HIS A 83 -5.530 3.082 1.583 1.00 0.88 H new ATOM 0 HD2 HIS A 83 -5.108 -1.013 0.633 1.00 0.86 H new ATOM 0 HE1 HIS A 83 -7.851 2.231 0.923 1.00 0.81 H new ATOM 1299 N PHE A 84 -2.250 -0.425 -1.066 1.00 0.65 N ATOM 1300 CA PHE A 84 -2.601 -1.535 -1.950 1.00 0.58 C ATOM 1301 C PHE A 84 -3.652 -2.416 -1.284 1.00 0.54 C ATOM 1302 O PHE A 84 -3.482 -2.832 -0.142 1.00 0.62 O ATOM 1303 CB PHE A 84 -1.354 -2.359 -2.280 1.00 0.59 C ATOM 1304 CG PHE A 84 -0.339 -1.560 -3.058 1.00 0.55 C ATOM 1305 CD1 PHE A 84 -0.621 -1.186 -4.385 1.00 2.00 C ATOM 1306 CD2 PHE A 84 0.846 -1.125 -2.437 1.00 1.92 C ATOM 1307 CE1 PHE A 84 0.302 -0.412 -5.102 1.00 1.92 C ATOM 1308 CE2 PHE A 84 1.760 -0.338 -3.154 1.00 2.02 C ATOM 1309 CZ PHE A 84 1.499 -0.001 -4.489 1.00 0.65 C ATOM 0 H PHE A 84 -1.504 -0.641 -0.405 1.00 0.65 H new ATOM 0 HA PHE A 84 -3.011 -1.134 -2.877 1.00 0.58 H new ATOM 0 HB2 PHE A 84 -0.902 -2.718 -1.356 1.00 0.59 H new ATOM 0 HB3 PHE A 84 -1.642 -3.238 -2.856 1.00 0.59 H new ATOM 0 HD1 PHE A 84 -1.546 -1.494 -4.850 1.00 2.00 H new ATOM 0 HD2 PHE A 84 1.052 -1.396 -1.412 1.00 1.92 H new ATOM 0 HE1 PHE A 84 0.094 -0.132 -6.124 1.00 1.92 H new ATOM 0 HE2 PHE A 84 2.665 0.008 -2.677 1.00 2.02 H new ATOM 0 HZ PHE A 84 2.220 0.576 -5.049 1.00 0.65 H new ATOM 1319 N MET A 85 -4.710 -2.739 -2.025 1.00 0.49 N ATOM 1320 CA MET A 85 -5.683 -3.798 -1.763 1.00 0.50 C ATOM 1321 C MET A 85 -5.139 -5.113 -2.327 1.00 0.44 C ATOM 1322 O MET A 85 -4.590 -5.114 -3.429 1.00 0.56 O ATOM 1323 CB MET A 85 -7.010 -3.467 -2.450 1.00 0.66 C ATOM 1324 CG MET A 85 -8.187 -4.033 -1.650 1.00 0.77 C ATOM 1325 SD MET A 85 -8.599 -3.058 -0.175 1.00 0.82 S ATOM 1326 CE MET A 85 -8.806 -4.315 1.119 1.00 0.71 C ATOM 0 H MET A 85 -4.925 -2.233 -2.884 1.00 0.49 H new ATOM 0 HA MET A 85 -5.849 -3.886 -0.689 1.00 0.50 H new ATOM 0 HB2 MET A 85 -7.116 -2.387 -2.548 1.00 0.66 H new ATOM 0 HB3 MET A 85 -7.017 -3.880 -3.459 1.00 0.66 H new ATOM 0 HG2 MET A 85 -9.063 -4.086 -2.297 1.00 0.77 H new ATOM 0 HG3 MET A 85 -7.952 -5.053 -1.347 1.00 0.77 H new ATOM 0 HE1 MET A 85 -9.530 -3.964 1.854 1.00 0.71 H new ATOM 0 HE2 MET A 85 -9.163 -5.242 0.671 1.00 0.71 H new ATOM 0 HE3 MET A 85 -7.849 -4.494 1.609 1.00 0.71 H new ATOM 1336 N LEU A 86 -5.294 -6.216 -1.596 1.00 0.59 N ATOM 1337 CA LEU A 86 -4.735 -7.532 -1.915 1.00 0.55 C ATOM 1338 C LEU A 86 -5.830 -8.593 -1.772 1.00 0.52 C ATOM 1339 O LEU A 86 -6.094 -9.106 -0.686 1.00 0.58 O ATOM 1340 CB LEU A 86 -3.544 -7.803 -0.973 1.00 0.55 C ATOM 1341 CG LEU A 86 -2.344 -6.847 -1.138 1.00 0.82 C ATOM 1342 CD1 LEU A 86 -1.313 -7.140 -0.042 1.00 1.56 C ATOM 1343 CD2 LEU A 86 -1.665 -6.972 -2.510 1.00 2.83 C ATOM 0 H LEU A 86 -5.834 -6.219 -0.731 1.00 0.59 H new ATOM 0 HA LEU A 86 -4.373 -7.565 -2.943 1.00 0.55 H new ATOM 0 HB2 LEU A 86 -3.896 -7.744 0.057 1.00 0.55 H new ATOM 0 HB3 LEU A 86 -3.199 -8.824 -1.134 1.00 0.55 H new ATOM 0 HG LEU A 86 -2.728 -5.830 -1.057 1.00 0.82 H new ATOM 0 HD11 LEU A 86 -0.462 -6.467 -0.153 1.00 1.56 H new ATOM 0 HD12 LEU A 86 -1.769 -6.989 0.936 1.00 1.56 H new ATOM 0 HD13 LEU A 86 -0.973 -8.172 -0.129 1.00 1.56 H new ATOM 0 HD21 LEU A 86 -0.829 -6.275 -2.567 1.00 2.83 H new ATOM 0 HD22 LEU A 86 -1.299 -7.990 -2.643 1.00 2.83 H new ATOM 0 HD23 LEU A 86 -2.385 -6.739 -3.295 1.00 2.83 H new ATOM 1355 N LEU A 87 -6.531 -8.872 -2.870 1.00 0.89 N ATOM 1356 CA LEU A 87 -7.632 -9.835 -2.929 1.00 0.92 C ATOM 1357 C LEU A 87 -7.137 -11.249 -3.253 1.00 0.93 C ATOM 1358 O LEU A 87 -6.058 -11.449 -3.820 1.00 0.98 O ATOM 1359 CB LEU A 87 -8.693 -9.356 -3.940 1.00 1.16 C ATOM 1360 CG LEU A 87 -9.769 -8.453 -3.315 1.00 1.48 C ATOM 1361 CD1 LEU A 87 -9.246 -7.055 -2.959 1.00 1.59 C ATOM 1362 CD2 LEU A 87 -10.966 -8.341 -4.255 1.00 2.59 C ATOM 0 H LEU A 87 -6.345 -8.423 -3.767 1.00 0.89 H new ATOM 0 HA LEU A 87 -8.093 -9.890 -1.943 1.00 0.92 H new ATOM 0 HB2 LEU A 87 -8.198 -8.814 -4.746 1.00 1.16 H new ATOM 0 HB3 LEU A 87 -9.174 -10.225 -4.389 1.00 1.16 H new ATOM 0 HG LEU A 87 -10.072 -8.923 -2.379 1.00 1.48 H new ATOM 0 HD11 LEU A 87 -10.052 -6.465 -2.522 1.00 1.59 H new ATOM 0 HD12 LEU A 87 -8.431 -7.143 -2.241 1.00 1.59 H new ATOM 0 HD13 LEU A 87 -8.883 -6.562 -3.861 1.00 1.59 H new ATOM 0 HD21 LEU A 87 -11.724 -7.700 -3.805 1.00 2.59 H new ATOM 0 HD22 LEU A 87 -10.645 -7.912 -5.204 1.00 2.59 H new ATOM 0 HD23 LEU A 87 -11.386 -9.332 -4.429 1.00 2.59 H new ATOM 1374 N GLY A 88 -7.955 -12.238 -2.874 1.00 0.98 N ATOM 1375 CA GLY A 88 -7.742 -13.673 -3.091 1.00 1.08 C ATOM 1376 C GLY A 88 -6.837 -14.298 -2.032 1.00 1.48 C ATOM 1377 O GLY A 88 -7.223 -15.273 -1.394 1.00 3.05 O ATOM 0 H GLY A 88 -8.828 -12.049 -2.382 1.00 0.98 H new ATOM 0 HA2 GLY A 88 -8.705 -14.184 -3.089 1.00 1.08 H new ATOM 0 HA3 GLY A 88 -7.302 -13.827 -4.076 1.00 1.08 H new ATOM 1381 N LEU A 89 -5.661 -13.684 -1.847 1.00 0.61 N ATOM 1382 CA LEU A 89 -4.513 -14.147 -1.083 1.00 0.58 C ATOM 1383 C LEU A 89 -3.996 -15.521 -1.520 1.00 0.72 C ATOM 1384 O LEU A 89 -4.578 -16.238 -2.325 1.00 1.09 O ATOM 1385 CB LEU A 89 -4.825 -14.073 0.408 1.00 0.56 C ATOM 1386 CG LEU A 89 -5.336 -12.710 0.916 1.00 0.53 C ATOM 1387 CD1 LEU A 89 -5.500 -12.792 2.431 1.00 0.65 C ATOM 1388 CD2 LEU A 89 -4.400 -11.541 0.581 1.00 0.47 C ATOM 0 H LEU A 89 -5.481 -12.772 -2.268 1.00 0.61 H new ATOM 0 HA LEU A 89 -3.681 -13.475 -1.295 1.00 0.58 H new ATOM 0 HB2 LEU A 89 -5.572 -14.831 0.642 1.00 0.56 H new ATOM 0 HB3 LEU A 89 -3.923 -14.332 0.963 1.00 0.56 H new ATOM 0 HG LEU A 89 -6.281 -12.510 0.412 1.00 0.53 H new ATOM 0 HD11 LEU A 89 -5.861 -11.836 2.810 1.00 0.65 H new ATOM 0 HD12 LEU A 89 -6.218 -13.575 2.677 1.00 0.65 H new ATOM 0 HD13 LEU A 89 -4.538 -13.024 2.889 1.00 0.65 H new ATOM 0 HD21 LEU A 89 -4.823 -10.614 0.969 1.00 0.47 H new ATOM 0 HD22 LEU A 89 -3.425 -11.714 1.036 1.00 0.47 H new ATOM 0 HD23 LEU A 89 -4.287 -11.464 -0.500 1.00 0.47 H new ATOM 1400 N LYS A 90 -2.831 -15.855 -0.979 1.00 0.63 N ATOM 1401 CA LYS A 90 -2.182 -17.162 -1.111 1.00 0.68 C ATOM 1402 C LYS A 90 -1.988 -17.866 0.238 1.00 0.83 C ATOM 1403 O LYS A 90 -1.908 -19.092 0.304 1.00 0.97 O ATOM 1404 CB LYS A 90 -0.833 -16.963 -1.789 1.00 0.64 C ATOM 1405 CG LYS A 90 -0.860 -16.186 -3.122 1.00 0.69 C ATOM 1406 CD LYS A 90 -1.683 -16.900 -4.186 1.00 1.00 C ATOM 1407 CE LYS A 90 -1.537 -16.253 -5.567 1.00 1.10 C ATOM 1408 NZ LYS A 90 -2.303 -16.989 -6.602 1.00 1.62 N ATOM 0 H LYS A 90 -2.289 -15.201 -0.414 1.00 0.63 H new ATOM 0 HA LYS A 90 -2.830 -17.804 -1.708 1.00 0.68 H new ATOM 0 HB2 LYS A 90 -0.174 -16.438 -1.097 1.00 0.64 H new ATOM 0 HB3 LYS A 90 -0.390 -17.943 -1.970 1.00 0.64 H new ATOM 0 HG2 LYS A 90 -1.272 -15.191 -2.953 1.00 0.69 H new ATOM 0 HG3 LYS A 90 0.160 -16.051 -3.483 1.00 0.69 H new ATOM 0 HD2 LYS A 90 -1.373 -17.944 -4.242 1.00 1.00 H new ATOM 0 HD3 LYS A 90 -2.733 -16.894 -3.894 1.00 1.00 H new ATOM 0 HE2 LYS A 90 -1.884 -15.220 -5.523 1.00 1.10 H new ATOM 0 HE3 LYS A 90 -0.484 -16.224 -5.846 1.00 1.10 H new ATOM 0 HZ1 LYS A 90 -2.349 -16.419 -7.471 1.00 1.62 H new ATOM 0 HZ2 LYS A 90 -1.831 -17.893 -6.806 1.00 1.62 H new ATOM 0 HZ3 LYS A 90 -3.267 -17.172 -6.256 1.00 1.62 H new ATOM 1422 N ARG A 91 -1.905 -17.077 1.316 1.00 0.87 N ATOM 1423 CA ARG A 91 -1.833 -17.508 2.702 1.00 0.99 C ATOM 1424 C ARG A 91 -2.614 -16.561 3.634 1.00 0.85 C ATOM 1425 O ARG A 91 -2.735 -15.381 3.297 1.00 0.81 O ATOM 1426 CB ARG A 91 -0.357 -17.549 3.114 1.00 1.17 C ATOM 1427 CG ARG A 91 0.340 -16.195 3.366 1.00 1.95 C ATOM 1428 CD ARG A 91 1.741 -16.436 3.941 1.00 2.43 C ATOM 1429 NE ARG A 91 2.346 -15.218 4.514 1.00 3.80 N ATOM 1430 CZ ARG A 91 2.530 -14.946 5.806 1.00 5.13 C ATOM 1431 NH1 ARG A 91 1.981 -15.634 6.782 1.00 5.92 N ATOM 1432 NH2 ARG A 91 3.275 -13.937 6.185 1.00 6.28 N ATOM 0 H ARG A 91 -1.886 -16.061 1.230 1.00 0.87 H new ATOM 0 HA ARG A 91 -2.287 -18.495 2.792 1.00 0.99 H new ATOM 0 HB2 ARG A 91 -0.276 -18.146 4.023 1.00 1.17 H new ATOM 0 HB3 ARG A 91 0.197 -18.075 2.337 1.00 1.17 H new ATOM 0 HG2 ARG A 91 0.410 -15.632 2.435 1.00 1.95 H new ATOM 0 HG3 ARG A 91 -0.250 -15.594 4.058 1.00 1.95 H new ATOM 0 HD2 ARG A 91 1.684 -17.204 4.712 1.00 2.43 H new ATOM 0 HD3 ARG A 91 2.389 -16.822 3.154 1.00 2.43 H new ATOM 0 HE ARG A 91 2.657 -14.508 3.850 1.00 3.80 H new ATOM 0 HH11 ARG A 91 1.375 -16.426 6.569 1.00 5.92 H new ATOM 0 HH12 ARG A 91 2.161 -15.376 7.752 1.00 5.92 H new ATOM 0 HH21 ARG A 91 3.725 -13.345 5.487 1.00 6.28 H new ATOM 0 HH22 ARG A 91 3.405 -13.744 7.178 1.00 6.28 H new ATOM 1446 N PRO A 92 -3.027 -17.036 4.826 1.00 0.95 N ATOM 1447 CA PRO A 92 -3.348 -16.177 5.951 1.00 1.11 C ATOM 1448 C PRO A 92 -2.064 -15.595 6.567 1.00 1.13 C ATOM 1449 O PRO A 92 -0.995 -16.215 6.523 1.00 1.50 O ATOM 1450 CB PRO A 92 -4.089 -17.079 6.940 1.00 1.38 C ATOM 1451 CG PRO A 92 -3.435 -18.442 6.716 1.00 1.30 C ATOM 1452 CD PRO A 92 -3.141 -18.439 5.215 1.00 1.11 C ATOM 0 HA PRO A 92 -3.957 -15.321 5.661 1.00 1.11 H new ATOM 0 HB2 PRO A 92 -3.968 -16.737 7.968 1.00 1.38 H new ATOM 0 HB3 PRO A 92 -5.160 -17.107 6.738 1.00 1.38 H new ATOM 0 HG2 PRO A 92 -2.525 -18.555 7.305 1.00 1.30 H new ATOM 0 HG3 PRO A 92 -4.099 -19.260 6.996 1.00 1.30 H new ATOM 0 HD2 PRO A 92 -2.220 -18.980 4.998 1.00 1.11 H new ATOM 0 HD3 PRO A 92 -3.939 -18.933 4.661 1.00 1.11 H new ATOM 1460 N LEU A 93 -2.187 -14.405 7.157 1.00 1.20 N ATOM 1461 CA LEU A 93 -1.100 -13.689 7.834 1.00 1.26 C ATOM 1462 C LEU A 93 -1.084 -13.985 9.348 1.00 1.48 C ATOM 1463 O LEU A 93 -2.133 -14.168 9.961 1.00 2.01 O ATOM 1464 CB LEU A 93 -1.266 -12.175 7.569 1.00 1.70 C ATOM 1465 CG LEU A 93 -0.894 -11.631 6.167 1.00 1.43 C ATOM 1466 CD1 LEU A 93 0.567 -11.910 5.803 1.00 2.13 C ATOM 1467 CD2 LEU A 93 -1.788 -12.127 5.019 1.00 1.33 C ATOM 0 H LEU A 93 -3.071 -13.896 7.179 1.00 1.20 H new ATOM 0 HA LEU A 93 -0.144 -14.031 7.436 1.00 1.26 H new ATOM 0 HB2 LEU A 93 -2.307 -11.916 7.761 1.00 1.70 H new ATOM 0 HB3 LEU A 93 -0.664 -11.641 8.304 1.00 1.70 H new ATOM 0 HG LEU A 93 -1.060 -10.558 6.267 1.00 1.43 H new ATOM 0 HD11 LEU A 93 0.778 -11.509 4.812 1.00 2.13 H new ATOM 0 HD12 LEU A 93 1.221 -11.434 6.533 1.00 2.13 H new ATOM 0 HD13 LEU A 93 0.743 -12.986 5.805 1.00 2.13 H new ATOM 0 HD21 LEU A 93 -1.448 -11.692 4.079 1.00 1.33 H new ATOM 0 HD22 LEU A 93 -1.731 -13.214 4.957 1.00 1.33 H new ATOM 0 HD23 LEU A 93 -2.819 -11.828 5.206 1.00 1.33 H new ATOM 1479 N LYS A 94 0.097 -13.991 9.978 1.00 1.46 N ATOM 1480 CA LYS A 94 0.220 -13.935 11.440 1.00 1.72 C ATOM 1481 C LYS A 94 0.447 -12.493 11.922 1.00 1.24 C ATOM 1482 O LYS A 94 0.307 -11.525 11.183 1.00 1.68 O ATOM 1483 CB LYS A 94 1.361 -14.864 11.904 1.00 2.56 C ATOM 1484 CG LYS A 94 1.438 -16.250 11.241 1.00 2.58 C ATOM 1485 CD LYS A 94 2.604 -17.014 11.882 1.00 3.56 C ATOM 1486 CE LYS A 94 2.959 -18.304 11.129 1.00 3.93 C ATOM 1487 NZ LYS A 94 4.096 -18.094 10.199 1.00 4.75 N ATOM 0 H LYS A 94 0.992 -14.035 9.491 1.00 1.46 H new ATOM 0 HA LYS A 94 -0.714 -14.281 11.883 1.00 1.72 H new ATOM 0 HB2 LYS A 94 2.308 -14.352 11.732 1.00 2.56 H new ATOM 0 HB3 LYS A 94 1.267 -15.007 12.980 1.00 2.56 H new ATOM 0 HG2 LYS A 94 0.503 -16.793 11.381 1.00 2.58 H new ATOM 0 HG3 LYS A 94 1.591 -16.151 10.166 1.00 2.58 H new ATOM 0 HD2 LYS A 94 3.480 -16.367 11.917 1.00 3.56 H new ATOM 0 HD3 LYS A 94 2.348 -17.260 12.913 1.00 3.56 H new ATOM 0 HE2 LYS A 94 3.212 -19.086 11.844 1.00 3.93 H new ATOM 0 HE3 LYS A 94 2.090 -18.652 10.571 1.00 3.93 H new ATOM 0 HZ1 LYS A 94 4.202 -18.928 9.587 1.00 4.75 H new ATOM 0 HZ2 LYS A 94 3.914 -17.255 9.613 1.00 4.75 H new ATOM 0 HZ3 LYS A 94 4.970 -17.952 10.745 1.00 4.75 H new ATOM 1501 N ALA A 95 0.838 -12.361 13.183 1.00 1.59 N ATOM 1502 CA ALA A 95 1.533 -11.203 13.717 1.00 1.39 C ATOM 1503 C ALA A 95 3.008 -11.581 13.952 1.00 1.51 C ATOM 1504 O ALA A 95 3.301 -12.756 14.187 1.00 1.77 O ATOM 1505 CB ALA A 95 0.801 -10.810 14.999 1.00 1.52 C ATOM 0 H ALA A 95 0.673 -13.083 13.884 1.00 1.59 H new ATOM 0 HA ALA A 95 1.533 -10.350 13.039 1.00 1.39 H new ATOM 0 HB1 ALA A 95 1.286 -9.940 15.443 1.00 1.52 H new ATOM 0 HB2 ALA A 95 -0.236 -10.568 14.766 1.00 1.52 H new ATOM 0 HB3 ALA A 95 0.830 -11.641 15.704 1.00 1.52 H new ATOM 1511 N GLY A 96 3.925 -10.610 13.885 1.00 1.52 N ATOM 1512 CA GLY A 96 5.353 -10.833 14.164 1.00 1.80 C ATOM 1513 C GLY A 96 6.109 -11.552 13.043 1.00 1.97 C ATOM 1514 O GLY A 96 7.056 -12.278 13.321 1.00 2.15 O ATOM 0 H GLY A 96 3.701 -9.647 13.636 1.00 1.52 H new ATOM 0 HA2 GLY A 96 5.830 -9.870 14.349 1.00 1.80 H new ATOM 0 HA3 GLY A 96 5.446 -11.416 15.081 1.00 1.80 H new ATOM 1518 N GLU A 97 5.686 -11.376 11.790 1.00 2.01 N ATOM 1519 CA GLU A 97 6.418 -11.786 10.582 1.00 2.08 C ATOM 1520 C GLU A 97 6.932 -10.535 9.845 1.00 1.89 C ATOM 1521 O GLU A 97 6.630 -9.415 10.249 1.00 1.73 O ATOM 1522 CB GLU A 97 5.510 -12.609 9.645 1.00 2.07 C ATOM 1523 CG GLU A 97 4.822 -13.803 10.317 1.00 2.32 C ATOM 1524 CD GLU A 97 3.887 -14.532 9.351 1.00 1.89 C ATOM 1525 OE1 GLU A 97 2.867 -13.957 8.912 1.00 2.53 O ATOM 1526 OE2 GLU A 97 4.137 -15.714 9.034 1.00 2.27 O ATOM 0 H GLU A 97 4.794 -10.929 11.577 1.00 2.01 H new ATOM 0 HA GLU A 97 7.261 -12.410 10.878 1.00 2.08 H new ATOM 0 HB2 GLU A 97 4.746 -11.952 9.230 1.00 2.07 H new ATOM 0 HB3 GLU A 97 6.106 -12.973 8.808 1.00 2.07 H new ATOM 0 HG2 GLU A 97 5.577 -14.497 10.687 1.00 2.32 H new ATOM 0 HG3 GLU A 97 4.255 -13.458 11.182 1.00 2.32 H new ATOM 1533 N GLU A 98 7.624 -10.709 8.718 1.00 1.96 N ATOM 1534 CA GLU A 98 7.932 -9.710 7.713 1.00 1.74 C ATOM 1535 C GLU A 98 7.522 -10.354 6.385 1.00 1.60 C ATOM 1536 O GLU A 98 7.592 -11.574 6.228 1.00 1.83 O ATOM 1537 CB GLU A 98 9.430 -9.350 7.667 1.00 1.95 C ATOM 1538 CG GLU A 98 9.916 -8.431 8.801 1.00 3.09 C ATOM 1539 CD GLU A 98 10.596 -7.179 8.240 1.00 3.96 C ATOM 1540 OE1 GLU A 98 11.808 -7.202 7.942 1.00 4.20 O ATOM 1541 OE2 GLU A 98 9.916 -6.147 8.049 1.00 5.15 O ATOM 0 H GLU A 98 8.009 -11.621 8.473 1.00 1.96 H new ATOM 0 HA GLU A 98 7.409 -8.779 7.930 1.00 1.74 H new ATOM 0 HB2 GLU A 98 10.010 -10.272 7.694 1.00 1.95 H new ATOM 0 HB3 GLU A 98 9.643 -8.867 6.713 1.00 1.95 H new ATOM 0 HG2 GLU A 98 9.071 -8.141 9.426 1.00 3.09 H new ATOM 0 HG3 GLU A 98 10.614 -8.973 9.439 1.00 3.09 H new ATOM 1548 N VAL A 99 7.044 -9.538 5.461 1.00 1.29 N ATOM 1549 CA VAL A 99 6.568 -9.933 4.122 1.00 1.15 C ATOM 1550 C VAL A 99 7.044 -8.923 3.093 1.00 0.94 C ATOM 1551 O VAL A 99 7.030 -7.718 3.334 1.00 0.90 O ATOM 1552 CB VAL A 99 5.031 -10.046 4.054 1.00 1.12 C ATOM 1553 CG1 VAL A 99 4.479 -10.353 2.650 1.00 1.24 C ATOM 1554 CG2 VAL A 99 4.532 -11.158 4.990 1.00 1.38 C ATOM 0 H VAL A 99 6.969 -8.533 5.619 1.00 1.29 H new ATOM 0 HA VAL A 99 6.981 -10.919 3.909 1.00 1.15 H new ATOM 0 HB VAL A 99 4.669 -9.063 4.354 1.00 1.12 H new ATOM 0 HG11 VAL A 99 3.392 -10.416 2.692 1.00 1.24 H new ATOM 0 HG12 VAL A 99 4.770 -9.559 1.963 1.00 1.24 H new ATOM 0 HG13 VAL A 99 4.884 -11.302 2.300 1.00 1.24 H new ATOM 0 HG21 VAL A 99 3.446 -11.224 4.930 1.00 1.38 H new ATOM 0 HG22 VAL A 99 4.971 -12.110 4.690 1.00 1.38 H new ATOM 0 HG23 VAL A 99 4.825 -10.930 6.015 1.00 1.38 H new ATOM 1564 N GLU A 100 7.457 -9.448 1.940 1.00 0.95 N ATOM 1565 CA GLU A 100 7.972 -8.669 0.819 1.00 0.79 C ATOM 1566 C GLU A 100 6.882 -8.281 -0.184 1.00 0.65 C ATOM 1567 O GLU A 100 5.929 -9.023 -0.461 1.00 0.72 O ATOM 1568 CB GLU A 100 9.178 -9.338 0.141 1.00 1.00 C ATOM 1569 CG GLU A 100 8.933 -10.710 -0.501 1.00 1.18 C ATOM 1570 CD GLU A 100 10.033 -11.025 -1.516 1.00 1.40 C ATOM 1571 OE1 GLU A 100 11.232 -10.810 -1.233 1.00 2.34 O ATOM 1572 OE2 GLU A 100 9.703 -11.412 -2.656 1.00 2.04 O ATOM 0 H GLU A 100 7.442 -10.451 1.757 1.00 0.95 H new ATOM 0 HA GLU A 100 8.337 -7.735 1.247 1.00 0.79 H new ATOM 0 HB2 GLU A 100 9.553 -8.664 -0.629 1.00 1.00 H new ATOM 0 HB3 GLU A 100 9.969 -9.446 0.883 1.00 1.00 H new ATOM 0 HG2 GLU A 100 8.908 -11.480 0.270 1.00 1.18 H new ATOM 0 HG3 GLU A 100 7.961 -10.720 -0.993 1.00 1.18 H new ATOM 1579 N LEU A 101 7.072 -7.080 -0.731 1.00 0.61 N ATOM 1580 CA LEU A 101 6.246 -6.415 -1.732 1.00 0.54 C ATOM 1581 C LEU A 101 7.153 -5.786 -2.798 1.00 0.48 C ATOM 1582 O LEU A 101 8.181 -5.168 -2.500 1.00 0.57 O ATOM 1583 CB LEU A 101 5.431 -5.295 -1.055 1.00 0.66 C ATOM 1584 CG LEU A 101 3.975 -5.550 -0.621 1.00 0.98 C ATOM 1585 CD1 LEU A 101 3.008 -5.577 -1.811 1.00 1.85 C ATOM 1586 CD2 LEU A 101 3.766 -6.771 0.285 1.00 2.93 C ATOM 0 H LEU A 101 7.870 -6.504 -0.463 1.00 0.61 H new ATOM 0 HA LEU A 101 5.575 -7.141 -2.192 1.00 0.54 H new ATOM 0 HB2 LEU A 101 5.983 -4.985 -0.168 1.00 0.66 H new ATOM 0 HB3 LEU A 101 5.421 -4.445 -1.737 1.00 0.66 H new ATOM 0 HG LEU A 101 3.737 -4.687 0.001 1.00 0.98 H new ATOM 0 HD11 LEU A 101 1.995 -5.760 -1.453 1.00 1.85 H new ATOM 0 HD12 LEU A 101 3.042 -4.619 -2.329 1.00 1.85 H new ATOM 0 HD13 LEU A 101 3.299 -6.372 -2.498 1.00 1.85 H new ATOM 0 HD21 LEU A 101 2.709 -6.863 0.534 1.00 2.93 H new ATOM 0 HD22 LEU A 101 4.096 -7.670 -0.235 1.00 2.93 H new ATOM 0 HD23 LEU A 101 4.345 -6.648 1.200 1.00 2.93 H new ATOM 1598 N ASP A 102 6.698 -5.889 -4.039 1.00 0.50 N ATOM 1599 CA ASP A 102 7.173 -5.134 -5.200 1.00 0.54 C ATOM 1600 C ASP A 102 6.380 -3.828 -5.306 1.00 0.64 C ATOM 1601 O ASP A 102 5.157 -3.829 -5.147 1.00 0.93 O ATOM 1602 CB ASP A 102 6.900 -5.913 -6.499 1.00 0.72 C ATOM 1603 CG ASP A 102 7.764 -7.144 -6.763 1.00 0.95 C ATOM 1604 OD1 ASP A 102 8.971 -7.110 -6.443 1.00 1.95 O ATOM 1605 OD2 ASP A 102 7.205 -8.094 -7.362 1.00 2.20 O ATOM 0 H ASP A 102 5.947 -6.535 -4.280 1.00 0.50 H new ATOM 0 HA ASP A 102 8.241 -4.957 -5.074 1.00 0.54 H new ATOM 0 HB2 ASP A 102 5.856 -6.227 -6.493 1.00 0.72 H new ATOM 0 HB3 ASP A 102 7.022 -5.227 -7.337 1.00 0.72 H new ATOM 1610 N LEU A 103 7.058 -2.737 -5.662 1.00 0.52 N ATOM 1611 CA LEU A 103 6.459 -1.471 -6.092 1.00 0.50 C ATOM 1612 C LEU A 103 6.728 -1.280 -7.594 1.00 0.44 C ATOM 1613 O LEU A 103 7.870 -1.417 -8.036 1.00 0.48 O ATOM 1614 CB LEU A 103 7.091 -0.333 -5.274 1.00 0.57 C ATOM 1615 CG LEU A 103 6.717 -0.351 -3.778 1.00 0.62 C ATOM 1616 CD1 LEU A 103 7.877 0.214 -2.949 1.00 2.07 C ATOM 1617 CD2 LEU A 103 5.436 0.450 -3.514 1.00 2.18 C ATOM 0 H LEU A 103 8.078 -2.708 -5.659 1.00 0.52 H new ATOM 0 HA LEU A 103 5.381 -1.471 -5.928 1.00 0.50 H new ATOM 0 HB2 LEU A 103 8.175 -0.392 -5.367 1.00 0.57 H new ATOM 0 HB3 LEU A 103 6.785 0.621 -5.703 1.00 0.57 H new ATOM 0 HG LEU A 103 6.530 -1.384 -3.483 1.00 0.62 H new ATOM 0 HD11 LEU A 103 7.610 0.200 -1.892 1.00 2.07 H new ATOM 0 HD12 LEU A 103 8.767 -0.395 -3.106 1.00 2.07 H new ATOM 0 HD13 LEU A 103 8.080 1.239 -3.258 1.00 2.07 H new ATOM 0 HD21 LEU A 103 5.199 0.418 -2.450 1.00 2.18 H new ATOM 0 HD22 LEU A 103 5.584 1.485 -3.822 1.00 2.18 H new ATOM 0 HD23 LEU A 103 4.613 0.017 -4.082 1.00 2.18 H new ATOM 1629 N LEU A 104 5.686 -0.962 -8.375 1.00 0.41 N ATOM 1630 CA LEU A 104 5.728 -0.862 -9.840 1.00 0.36 C ATOM 1631 C LEU A 104 5.591 0.597 -10.301 1.00 0.42 C ATOM 1632 O LEU A 104 4.626 1.289 -9.960 1.00 0.37 O ATOM 1633 CB LEU A 104 4.605 -1.729 -10.443 1.00 0.34 C ATOM 1634 CG LEU A 104 4.634 -3.226 -10.063 1.00 0.42 C ATOM 1635 CD1 LEU A 104 3.420 -3.938 -10.676 1.00 0.63 C ATOM 1636 CD2 LEU A 104 5.921 -3.918 -10.530 1.00 0.50 C ATOM 0 H LEU A 104 4.762 -0.761 -7.992 1.00 0.41 H new ATOM 0 HA LEU A 104 6.694 -1.226 -10.189 1.00 0.36 H new ATOM 0 HB2 LEU A 104 3.646 -1.314 -10.134 1.00 0.34 H new ATOM 0 HB3 LEU A 104 4.653 -1.648 -11.529 1.00 0.34 H new ATOM 0 HG LEU A 104 4.600 -3.288 -8.975 1.00 0.42 H new ATOM 0 HD11 LEU A 104 3.443 -4.994 -10.406 1.00 0.63 H new ATOM 0 HD12 LEU A 104 2.503 -3.486 -10.296 1.00 0.63 H new ATOM 0 HD13 LEU A 104 3.450 -3.840 -11.761 1.00 0.63 H new ATOM 0 HD21 LEU A 104 5.895 -4.968 -10.240 1.00 0.50 H new ATOM 0 HD22 LEU A 104 6.002 -3.843 -11.614 1.00 0.50 H new ATOM 0 HD23 LEU A 104 6.782 -3.435 -10.068 1.00 0.50 H new ATOM 1648 N PHE A 105 6.555 1.058 -11.100 1.00 0.66 N ATOM 1649 CA PHE A 105 6.756 2.461 -11.466 1.00 0.71 C ATOM 1650 C PHE A 105 6.687 2.690 -12.986 1.00 0.73 C ATOM 1651 O PHE A 105 7.003 1.813 -13.795 1.00 1.03 O ATOM 1652 CB PHE A 105 8.123 2.908 -10.935 1.00 0.76 C ATOM 1653 CG PHE A 105 8.222 2.936 -9.429 1.00 0.76 C ATOM 1654 CD1 PHE A 105 7.817 4.076 -8.713 1.00 2.00 C ATOM 1655 CD2 PHE A 105 8.723 1.817 -8.742 1.00 1.82 C ATOM 1656 CE1 PHE A 105 7.920 4.099 -7.313 1.00 2.03 C ATOM 1657 CE2 PHE A 105 8.794 1.834 -7.344 1.00 1.82 C ATOM 1658 CZ PHE A 105 8.403 2.973 -6.626 1.00 0.85 C ATOM 0 H PHE A 105 7.245 0.439 -11.527 1.00 0.66 H new ATOM 0 HA PHE A 105 5.952 3.048 -11.022 1.00 0.71 H new ATOM 0 HB2 PHE A 105 8.889 2.238 -11.326 1.00 0.76 H new ATOM 0 HB3 PHE A 105 8.343 3.903 -11.321 1.00 0.76 H new ATOM 0 HD1 PHE A 105 7.427 4.934 -9.240 1.00 2.00 H new ATOM 0 HD2 PHE A 105 9.052 0.947 -9.291 1.00 1.82 H new ATOM 0 HE1 PHE A 105 7.628 4.982 -6.764 1.00 2.03 H new ATOM 0 HE2 PHE A 105 9.153 0.964 -6.815 1.00 1.82 H new ATOM 0 HZ PHE A 105 8.473 2.985 -5.548 1.00 0.85 H new ATOM 1668 N ALA A 106 6.308 3.911 -13.374 1.00 0.68 N ATOM 1669 CA ALA A 106 6.063 4.293 -14.765 1.00 0.70 C ATOM 1670 C ALA A 106 7.259 4.027 -15.709 1.00 1.37 C ATOM 1671 O ALA A 106 8.389 4.478 -15.487 1.00 1.95 O ATOM 1672 CB ALA A 106 5.619 5.759 -14.801 1.00 1.14 C ATOM 0 H ALA A 106 6.160 4.676 -12.716 1.00 0.68 H new ATOM 0 HA ALA A 106 5.269 3.654 -15.152 1.00 0.70 H new ATOM 0 HB1 ALA A 106 5.433 6.058 -15.833 1.00 1.14 H new ATOM 0 HB2 ALA A 106 4.705 5.877 -14.219 1.00 1.14 H new ATOM 0 HB3 ALA A 106 6.403 6.387 -14.377 1.00 1.14 H new ATOM 1678 N GLY A 107 6.981 3.312 -16.810 1.00 2.23 N ATOM 1679 CA GLY A 107 7.935 3.035 -17.890 1.00 3.11 C ATOM 1680 C GLY A 107 8.974 1.974 -17.527 1.00 2.71 C ATOM 1681 O GLY A 107 10.166 2.276 -17.535 1.00 3.68 O ATOM 0 H GLY A 107 6.062 2.901 -16.976 1.00 2.23 H new ATOM 0 HA2 GLY A 107 7.387 2.708 -18.774 1.00 3.11 H new ATOM 0 HA3 GLY A 107 8.448 3.959 -18.157 1.00 3.11 H new ATOM 1685 N GLY A 108 8.532 0.757 -17.192 1.00 1.72 N ATOM 1686 CA GLY A 108 9.409 -0.418 -17.045 1.00 1.70 C ATOM 1687 C GLY A 108 10.295 -0.414 -15.797 1.00 1.43 C ATOM 1688 O GLY A 108 11.390 -0.967 -15.836 1.00 1.67 O ATOM 0 H GLY A 108 7.548 0.554 -17.013 1.00 1.72 H new ATOM 0 HA2 GLY A 108 8.790 -1.315 -17.029 1.00 1.70 H new ATOM 0 HA3 GLY A 108 10.048 -0.488 -17.925 1.00 1.70 H new ATOM 1692 N LYS A 109 9.870 0.228 -14.704 1.00 1.10 N ATOM 1693 CA LYS A 109 10.662 0.349 -13.471 1.00 0.97 C ATOM 1694 C LYS A 109 10.028 -0.410 -12.296 1.00 0.78 C ATOM 1695 O LYS A 109 8.809 -0.421 -12.148 1.00 1.00 O ATOM 1696 CB LYS A 109 10.818 1.837 -13.136 1.00 1.20 C ATOM 1697 CG LYS A 109 11.803 2.506 -14.091 1.00 1.61 C ATOM 1698 CD LYS A 109 11.723 4.036 -13.972 1.00 1.89 C ATOM 1699 CE LYS A 109 12.171 4.713 -15.269 1.00 2.84 C ATOM 1700 NZ LYS A 109 11.135 4.587 -16.326 1.00 4.30 N ATOM 0 H LYS A 109 8.959 0.683 -14.648 1.00 1.10 H new ATOM 0 HA LYS A 109 11.639 -0.104 -13.638 1.00 0.97 H new ATOM 0 HB2 LYS A 109 9.849 2.332 -13.199 1.00 1.20 H new ATOM 0 HB3 LYS A 109 11.167 1.949 -12.109 1.00 1.20 H new ATOM 0 HG2 LYS A 109 12.816 2.172 -13.869 1.00 1.61 H new ATOM 0 HG3 LYS A 109 11.585 2.204 -15.116 1.00 1.61 H new ATOM 0 HD2 LYS A 109 10.701 4.333 -13.737 1.00 1.89 H new ATOM 0 HD3 LYS A 109 12.350 4.373 -13.147 1.00 1.89 H new ATOM 0 HE2 LYS A 109 12.376 5.767 -15.080 1.00 2.84 H new ATOM 0 HE3 LYS A 109 13.103 4.264 -15.614 1.00 2.84 H new ATOM 0 HZ1 LYS A 109 11.312 5.290 -17.071 1.00 4.30 H new ATOM 0 HZ2 LYS A 109 11.171 3.632 -16.736 1.00 4.30 H new ATOM 0 HZ3 LYS A 109 10.195 4.750 -15.912 1.00 4.30 H new ATOM 1714 N VAL A 110 10.872 -0.976 -11.439 1.00 0.82 N ATOM 1715 CA VAL A 110 10.482 -1.779 -10.269 1.00 0.83 C ATOM 1716 C VAL A 110 11.441 -1.578 -9.090 1.00 0.97 C ATOM 1717 O VAL A 110 12.622 -1.308 -9.304 1.00 1.22 O ATOM 1718 CB VAL A 110 10.379 -3.273 -10.666 1.00 0.85 C ATOM 1719 CG1 VAL A 110 11.726 -3.881 -11.101 1.00 2.16 C ATOM 1720 CG2 VAL A 110 9.759 -4.149 -9.566 1.00 2.01 C ATOM 0 H VAL A 110 11.884 -0.889 -11.537 1.00 0.82 H new ATOM 0 HA VAL A 110 9.503 -1.437 -9.934 1.00 0.83 H new ATOM 0 HB VAL A 110 9.709 -3.273 -11.526 1.00 0.85 H new ATOM 0 HG11 VAL A 110 11.584 -4.929 -11.366 1.00 2.16 H new ATOM 0 HG12 VAL A 110 12.109 -3.337 -11.965 1.00 2.16 H new ATOM 0 HG13 VAL A 110 12.440 -3.808 -10.281 1.00 2.16 H new ATOM 0 HG21 VAL A 110 9.715 -5.184 -9.906 1.00 2.01 H new ATOM 0 HG22 VAL A 110 10.370 -4.089 -8.665 1.00 2.01 H new ATOM 0 HG23 VAL A 110 8.751 -3.797 -9.345 1.00 2.01 H new ATOM 1730 N LEU A 111 10.921 -1.725 -7.863 1.00 0.85 N ATOM 1731 CA LEU A 111 11.676 -1.640 -6.608 1.00 0.95 C ATOM 1732 C LEU A 111 11.036 -2.553 -5.550 1.00 0.88 C ATOM 1733 O LEU A 111 9.908 -2.309 -5.126 1.00 1.08 O ATOM 1734 CB LEU A 111 11.667 -0.166 -6.151 1.00 1.09 C ATOM 1735 CG LEU A 111 12.657 0.222 -5.040 1.00 1.32 C ATOM 1736 CD1 LEU A 111 14.110 0.132 -5.525 1.00 1.73 C ATOM 1737 CD2 LEU A 111 12.337 1.661 -4.610 1.00 2.32 C ATOM 0 H LEU A 111 9.930 -1.913 -7.714 1.00 0.85 H new ATOM 0 HA LEU A 111 12.704 -1.973 -6.750 1.00 0.95 H new ATOM 0 HB2 LEU A 111 11.869 0.460 -7.020 1.00 1.09 H new ATOM 0 HB3 LEU A 111 10.661 0.078 -5.810 1.00 1.09 H new ATOM 0 HG LEU A 111 12.552 -0.469 -4.203 1.00 1.32 H new ATOM 0 HD11 LEU A 111 14.782 0.413 -4.714 1.00 1.73 H new ATOM 0 HD12 LEU A 111 14.326 -0.889 -5.838 1.00 1.73 H new ATOM 0 HD13 LEU A 111 14.255 0.808 -6.367 1.00 1.73 H new ATOM 0 HD21 LEU A 111 13.024 1.966 -3.821 1.00 2.32 H new ATOM 0 HD22 LEU A 111 12.446 2.329 -5.464 1.00 2.32 H new ATOM 0 HD23 LEU A 111 11.313 1.711 -4.239 1.00 2.32 H new ATOM 1749 N LYS A 112 11.732 -3.608 -5.110 1.00 0.83 N ATOM 1750 CA LYS A 112 11.202 -4.529 -4.094 1.00 0.84 C ATOM 1751 C LYS A 112 11.627 -4.108 -2.675 1.00 0.89 C ATOM 1752 O LYS A 112 12.793 -3.790 -2.438 1.00 1.08 O ATOM 1753 CB LYS A 112 11.586 -5.982 -4.435 1.00 1.05 C ATOM 1754 CG LYS A 112 10.668 -6.965 -3.689 1.00 1.39 C ATOM 1755 CD LYS A 112 10.796 -8.424 -4.133 1.00 1.45 C ATOM 1756 CE LYS A 112 12.092 -9.076 -3.652 1.00 1.63 C ATOM 1757 NZ LYS A 112 12.033 -10.544 -3.835 1.00 1.98 N ATOM 0 H LYS A 112 12.666 -3.847 -5.442 1.00 0.83 H new ATOM 0 HA LYS A 112 10.113 -4.476 -4.105 1.00 0.84 H new ATOM 0 HB2 LYS A 112 11.506 -6.144 -5.510 1.00 1.05 H new ATOM 0 HB3 LYS A 112 12.625 -6.165 -4.161 1.00 1.05 H new ATOM 0 HG2 LYS A 112 10.884 -6.904 -2.622 1.00 1.39 H new ATOM 0 HG3 LYS A 112 9.634 -6.648 -3.823 1.00 1.39 H new ATOM 0 HD2 LYS A 112 9.946 -8.991 -3.753 1.00 1.45 H new ATOM 0 HD3 LYS A 112 10.751 -8.474 -5.221 1.00 1.45 H new ATOM 0 HE2 LYS A 112 12.938 -8.668 -4.205 1.00 1.63 H new ATOM 0 HE3 LYS A 112 12.256 -8.841 -2.600 1.00 1.63 H new ATOM 0 HZ1 LYS A 112 12.582 -11.010 -3.084 1.00 1.98 H new ATOM 0 HZ2 LYS A 112 11.043 -10.860 -3.787 1.00 1.98 H new ATOM 0 HZ3 LYS A 112 12.432 -10.795 -4.762 1.00 1.98 H new ATOM 1771 N VAL A 113 10.679 -4.124 -1.740 1.00 0.84 N ATOM 1772 CA VAL A 113 10.815 -3.695 -0.335 1.00 0.99 C ATOM 1773 C VAL A 113 10.175 -4.772 0.565 1.00 0.92 C ATOM 1774 O VAL A 113 9.602 -5.742 0.069 1.00 0.84 O ATOM 1775 CB VAL A 113 10.196 -2.279 -0.138 1.00 1.21 C ATOM 1776 CG1 VAL A 113 10.390 -1.688 1.272 1.00 1.62 C ATOM 1777 CG2 VAL A 113 10.790 -1.263 -1.133 1.00 2.16 C ATOM 0 H VAL A 113 9.737 -4.455 -1.947 1.00 0.84 H new ATOM 0 HA VAL A 113 11.864 -3.602 -0.054 1.00 0.99 H new ATOM 0 HB VAL A 113 9.130 -2.436 -0.306 1.00 1.21 H new ATOM 0 HG11 VAL A 113 9.928 -0.702 1.320 1.00 1.62 H new ATOM 0 HG12 VAL A 113 9.924 -2.343 2.008 1.00 1.62 H new ATOM 0 HG13 VAL A 113 11.455 -1.601 1.487 1.00 1.62 H new ATOM 0 HG21 VAL A 113 10.337 -0.285 -0.969 1.00 2.16 H new ATOM 0 HG22 VAL A 113 11.867 -1.194 -0.982 1.00 2.16 H new ATOM 0 HG23 VAL A 113 10.587 -1.591 -2.153 1.00 2.16 H new ATOM 1787 N VAL A 114 10.300 -4.637 1.887 1.00 1.12 N ATOM 1788 CA VAL A 114 9.902 -5.646 2.876 1.00 1.05 C ATOM 1789 C VAL A 114 9.478 -4.973 4.186 1.00 1.01 C ATOM 1790 O VAL A 114 10.214 -4.150 4.730 1.00 1.09 O ATOM 1791 CB VAL A 114 11.028 -6.695 3.067 1.00 1.13 C ATOM 1792 CG1 VAL A 114 12.356 -6.117 3.591 1.00 2.53 C ATOM 1793 CG2 VAL A 114 10.583 -7.848 3.978 1.00 2.09 C ATOM 0 H VAL A 114 10.693 -3.798 2.314 1.00 1.12 H new ATOM 0 HA VAL A 114 9.032 -6.190 2.509 1.00 1.05 H new ATOM 0 HB VAL A 114 11.219 -7.068 2.061 1.00 1.13 H new ATOM 0 HG11 VAL A 114 13.086 -6.919 3.695 1.00 2.53 H new ATOM 0 HG12 VAL A 114 12.732 -5.373 2.888 1.00 2.53 H new ATOM 0 HG13 VAL A 114 12.191 -5.649 4.561 1.00 2.53 H new ATOM 0 HG21 VAL A 114 11.400 -8.562 4.087 1.00 2.09 H new ATOM 0 HG22 VAL A 114 10.312 -7.454 4.958 1.00 2.09 H new ATOM 0 HG23 VAL A 114 9.721 -8.348 3.537 1.00 2.09 H new ATOM 1803 N LEU A 115 8.286 -5.333 4.670 1.00 1.10 N ATOM 1804 CA LEU A 115 7.586 -4.708 5.795 1.00 1.20 C ATOM 1805 C LEU A 115 7.143 -5.739 6.851 1.00 1.21 C ATOM 1806 O LEU A 115 6.831 -6.877 6.467 1.00 1.21 O ATOM 1807 CB LEU A 115 6.373 -3.885 5.318 1.00 1.43 C ATOM 1808 CG LEU A 115 5.366 -4.587 4.382 1.00 1.32 C ATOM 1809 CD1 LEU A 115 4.011 -3.877 4.499 1.00 2.55 C ATOM 1810 CD2 LEU A 115 5.860 -4.566 2.927 1.00 1.69 C ATOM 0 H LEU A 115 7.757 -6.107 4.268 1.00 1.10 H new ATOM 0 HA LEU A 115 8.302 -4.034 6.265 1.00 1.20 H new ATOM 0 HB2 LEU A 115 5.831 -3.541 6.199 1.00 1.43 H new ATOM 0 HB3 LEU A 115 6.747 -2.998 4.807 1.00 1.43 H new ATOM 0 HG LEU A 115 5.264 -5.631 4.678 1.00 1.32 H new ATOM 0 HD11 LEU A 115 3.288 -4.362 3.843 1.00 2.55 H new ATOM 0 HD12 LEU A 115 3.659 -3.931 5.529 1.00 2.55 H new ATOM 0 HD13 LEU A 115 4.121 -2.832 4.208 1.00 2.55 H new ATOM 0 HD21 LEU A 115 5.132 -5.067 2.288 1.00 1.69 H new ATOM 0 HD22 LEU A 115 5.981 -3.534 2.599 1.00 1.69 H new ATOM 0 HD23 LEU A 115 6.818 -5.083 2.860 1.00 1.69 H new ATOM 1822 N PRO A 116 7.062 -5.348 8.141 1.00 1.28 N ATOM 1823 CA PRO A 116 6.605 -6.209 9.219 1.00 1.36 C ATOM 1824 C PRO A 116 5.098 -6.426 9.164 1.00 1.23 C ATOM 1825 O PRO A 116 4.326 -5.553 8.764 1.00 1.24 O ATOM 1826 CB PRO A 116 7.021 -5.510 10.520 1.00 1.50 C ATOM 1827 CG PRO A 116 7.020 -4.034 10.133 1.00 1.43 C ATOM 1828 CD PRO A 116 7.507 -4.075 8.690 1.00 1.37 C ATOM 0 HA PRO A 116 7.048 -7.202 9.142 1.00 1.36 H new ATOM 0 HB2 PRO A 116 6.321 -5.715 11.330 1.00 1.50 H new ATOM 0 HB3 PRO A 116 8.004 -5.838 10.858 1.00 1.50 H new ATOM 0 HG2 PRO A 116 6.026 -3.593 10.214 1.00 1.43 H new ATOM 0 HG3 PRO A 116 7.682 -3.447 10.769 1.00 1.43 H new ATOM 0 HD2 PRO A 116 7.098 -3.242 8.119 1.00 1.37 H new ATOM 0 HD3 PRO A 116 8.593 -3.991 8.644 1.00 1.37 H new ATOM 1836 N VAL A 117 4.685 -7.609 9.608 1.00 1.23 N ATOM 1837 CA VAL A 117 3.280 -7.995 9.722 1.00 1.13 C ATOM 1838 C VAL A 117 2.823 -7.704 11.149 1.00 1.10 C ATOM 1839 O VAL A 117 2.795 -8.575 12.019 1.00 0.82 O ATOM 1840 CB VAL A 117 3.017 -9.454 9.301 1.00 1.33 C ATOM 1841 CG1 VAL A 117 1.514 -9.693 9.111 1.00 1.33 C ATOM 1842 CG2 VAL A 117 3.690 -9.793 7.966 1.00 1.52 C ATOM 0 H VAL A 117 5.329 -8.342 9.905 1.00 1.23 H new ATOM 0 HA VAL A 117 2.690 -7.404 9.021 1.00 1.13 H new ATOM 0 HB VAL A 117 3.424 -10.081 10.095 1.00 1.33 H new ATOM 0 HG11 VAL A 117 1.345 -10.728 8.814 1.00 1.33 H new ATOM 0 HG12 VAL A 117 0.993 -9.495 10.048 1.00 1.33 H new ATOM 0 HG13 VAL A 117 1.135 -9.026 8.336 1.00 1.33 H new ATOM 0 HG21 VAL A 117 3.480 -10.830 7.706 1.00 1.52 H new ATOM 0 HG22 VAL A 117 3.302 -9.138 7.186 1.00 1.52 H new ATOM 0 HG23 VAL A 117 4.767 -9.652 8.056 1.00 1.52 H new ATOM 1852 N GLU A 118 2.489 -6.438 11.371 1.00 1.70 N ATOM 1853 CA GLU A 118 1.769 -5.937 12.535 1.00 1.59 C ATOM 1854 C GLU A 118 0.539 -5.132 12.084 1.00 2.24 C ATOM 1855 O GLU A 118 0.491 -4.621 10.962 1.00 2.97 O ATOM 1856 CB GLU A 118 2.701 -5.145 13.451 1.00 1.92 C ATOM 1857 CG GLU A 118 3.319 -3.908 12.797 1.00 2.34 C ATOM 1858 CD GLU A 118 4.245 -3.245 13.807 1.00 3.20 C ATOM 1859 OE1 GLU A 118 3.706 -2.881 14.879 1.00 3.41 O ATOM 1860 OE2 GLU A 118 5.454 -3.160 13.513 1.00 4.34 O ATOM 0 H GLU A 118 2.725 -5.697 10.711 1.00 1.70 H new ATOM 0 HA GLU A 118 1.404 -6.776 13.127 1.00 1.59 H new ATOM 0 HB2 GLU A 118 2.145 -4.835 14.336 1.00 1.92 H new ATOM 0 HB3 GLU A 118 3.502 -5.801 13.791 1.00 1.92 H new ATOM 0 HG2 GLU A 118 3.873 -4.189 11.901 1.00 2.34 H new ATOM 0 HG3 GLU A 118 2.539 -3.214 12.485 1.00 2.34 H new