USER MOD reduce.3.24.130724 H: found=0, std=0, add=929, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 948 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 81 ASN :FLIP amide:sc= -7.99! C(o=-17!,f=-12!) USER MOD Set 1.2: A 98 HIS : no HD1:sc= -4.48! C(o=-12!,f=-13!) USER MOD Single : A 4 THR OG1 : rot -41:sc= -0.461 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 SER OG : rot -13:sc= 0.948 USER MOD Single : A 9 TYR OH : rot -56:sc= -4.65! USER MOD Single : A 13 LYS NZ :NH3+ -166:sc= -2.35! (180deg=-2.83!) USER MOD Single : A 15 LYS NZ :NH3+ 157:sc= -1.29! (180deg=-1.96!) USER MOD Single : A 18 SER OG : rot 172:sc= 1.15 USER MOD Single : A 27 ASN : amide:sc= -0.275 K(o=-0.28,f=-2.6!) USER MOD Single : A 33 CYS SG : rot 150:sc= -3.21! USER MOD Single : A 35 LYS NZ :NH3+ 147:sc= -0.596 (180deg=-2.23!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot -71:sc= -1.6 USER MOD Single : A 46 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00635) USER MOD Single : A 48 LYS NZ :NH3+ 174:sc= -1.53! (180deg=-1.56!) USER MOD Single : A 49 TYR OH : rot 180:sc= -4.3! USER MOD Single : A 56 THR OG1 : rot 170:sc= -0.987 USER MOD Single : A 59 GLN : amide:sc= -0.0596 X(o=-0.06,f=0) USER MOD Single : A 62 TYR OH : rot 180:sc= -0.554 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.0468 USER MOD Single : A 91 MET CE :methyl -162:sc= -3.39! (180deg=-4.24!) USER MOD Single : A 92 SER OG : rot -170:sc= -0.0744 USER MOD Single : A 95 TYR OH : rot 165:sc= 0 USER MOD Single : A 96 GLN : amide:sc=-0.00496 X(o=-0.005,f=0) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 TYR OH : rot 100:sc= -3.03! USER MOD Single : A 108 THR OG1 : rot 180:sc= -1.35! USER MOD Single : A 109 TYR OH : rot 180:sc= -1.87 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 113 ASN : amide:sc= -3.12! C(o=-3.1!,f=-3.6!) USER MOD ----------------------------------------------------------------- ATOM 69 N THR A 4 -11.402 -4.809 4.890 1.00 53.15 N ATOM 70 CA THR A 4 -11.284 -4.265 6.231 1.00 1.20 C ATOM 71 C THR A 4 -10.477 -2.966 6.210 1.00 34.02 C ATOM 72 O THR A 4 -11.048 -1.876 6.250 1.00 52.13 O ATOM 73 CB THR A 4 -10.672 -5.345 7.127 1.00 73.15 C ATOM 74 OG1 THR A 4 -9.702 -5.977 6.295 1.00 53.12 O ATOM 75 CG2 THR A 4 -11.664 -6.462 7.457 1.00 74.44 C ATOM 0 HA THR A 4 -12.260 -3.999 6.637 1.00 1.20 H new ATOM 0 HB THR A 4 -10.315 -4.891 8.052 1.00 73.15 H new ATOM 0 HG1 THR A 4 -10.070 -6.093 5.394 1.00 53.12 H new ATOM 0 HG21 THR A 4 -11.180 -7.202 8.095 1.00 74.44 H new ATOM 0 HG22 THR A 4 -12.525 -6.042 7.977 1.00 74.44 H new ATOM 0 HG23 THR A 4 -11.995 -6.939 6.534 1.00 74.44 H new ATOM 83 N PHE A 5 -9.163 -3.123 6.148 1.00 11.00 N ATOM 84 CA PHE A 5 -8.273 -1.974 6.121 1.00 22.31 C ATOM 85 C PHE A 5 -8.513 -1.124 4.872 1.00 41.51 C ATOM 86 O PHE A 5 -8.027 0.003 4.782 1.00 44.32 O ATOM 87 CB PHE A 5 -6.843 -2.518 6.087 1.00 64.21 C ATOM 88 CG PHE A 5 -5.776 -1.446 5.854 1.00 65.11 C ATOM 89 CD1 PHE A 5 -5.516 -1.009 4.593 1.00 10.12 C ATOM 90 CD2 PHE A 5 -5.086 -0.934 6.908 1.00 75.11 C ATOM 91 CE1 PHE A 5 -4.525 -0.014 4.377 1.00 0.14 C ATOM 92 CE2 PHE A 5 -4.094 0.060 6.692 1.00 33.11 C ATOM 93 CZ PHE A 5 -3.836 0.499 5.431 1.00 2.25 C ATOM 0 H PHE A 5 -8.693 -4.028 6.116 1.00 11.00 H new ATOM 0 HA PHE A 5 -8.449 -1.346 6.994 1.00 22.31 H new ATOM 0 HB2 PHE A 5 -6.635 -3.024 7.030 1.00 64.21 H new ATOM 0 HB3 PHE A 5 -6.769 -3.268 5.299 1.00 64.21 H new ATOM 0 HD1 PHE A 5 -6.062 -1.418 3.756 1.00 10.12 H new ATOM 0 HD2 PHE A 5 -5.292 -1.283 7.909 1.00 75.11 H new ATOM 0 HE1 PHE A 5 -4.319 0.335 3.376 1.00 0.14 H new ATOM 0 HE2 PHE A 5 -3.545 0.467 7.529 1.00 33.11 H new ATOM 0 HZ PHE A 5 -3.083 1.256 5.267 1.00 2.25 H new ATOM 103 N LYS A 6 -9.260 -1.697 3.940 1.00 54.43 N ATOM 104 CA LYS A 6 -9.570 -1.004 2.700 1.00 61.10 C ATOM 105 C LYS A 6 -10.982 -0.423 2.785 1.00 23.11 C ATOM 106 O LYS A 6 -11.364 0.410 1.964 1.00 53.24 O ATOM 107 CB LYS A 6 -9.356 -1.932 1.502 1.00 72.11 C ATOM 108 CG LYS A 6 -9.594 -1.190 0.184 1.00 41.42 C ATOM 109 CD LYS A 6 -10.635 -1.912 -0.672 1.00 55.05 C ATOM 110 CE LYS A 6 -10.760 -1.260 -2.050 1.00 11.24 C ATOM 111 NZ LYS A 6 -11.985 -1.728 -2.736 1.00 41.43 N ATOM 0 H LYS A 6 -9.660 -2.632 4.018 1.00 54.43 H new ATOM 0 HA LYS A 6 -8.890 -0.166 2.550 1.00 61.10 H new ATOM 0 HB2 LYS A 6 -8.341 -2.329 1.522 1.00 72.11 H new ATOM 0 HB3 LYS A 6 -10.033 -2.784 1.572 1.00 72.11 H new ATOM 0 HG2 LYS A 6 -9.929 -0.174 0.390 1.00 41.42 H new ATOM 0 HG3 LYS A 6 -8.657 -1.111 -0.367 1.00 41.42 H new ATOM 0 HD2 LYS A 6 -10.355 -2.959 -0.785 1.00 55.05 H new ATOM 0 HD3 LYS A 6 -11.601 -1.894 -0.168 1.00 55.05 H new ATOM 0 HE2 LYS A 6 -10.787 -0.175 -1.944 1.00 11.24 H new ATOM 0 HE3 LYS A 6 -9.884 -1.500 -2.653 1.00 11.24 H new ATOM 0 HZ1 LYS A 6 -12.054 -1.276 -3.670 1.00 41.43 H new ATOM 0 HZ2 LYS A 6 -11.944 -2.761 -2.854 1.00 41.43 H new ATOM 0 HZ3 LYS A 6 -12.819 -1.477 -2.167 1.00 41.43 H new ATOM 125 N SER A 7 -11.719 -0.886 3.783 1.00 32.24 N ATOM 126 CA SER A 7 -13.080 -0.422 3.985 1.00 10.10 C ATOM 127 C SER A 7 -13.129 0.567 5.151 1.00 13.42 C ATOM 128 O SER A 7 -14.205 1.008 5.553 1.00 63.35 O ATOM 129 CB SER A 7 -14.029 -1.595 4.244 1.00 44.33 C ATOM 130 OG SER A 7 -15.332 -1.155 4.621 1.00 52.21 O ATOM 0 H SER A 7 -11.399 -1.578 4.461 1.00 32.24 H new ATOM 0 HA SER A 7 -13.407 0.082 3.076 1.00 10.10 H new ATOM 0 HB2 SER A 7 -14.099 -2.209 3.346 1.00 44.33 H new ATOM 0 HB3 SER A 7 -13.618 -2.227 5.031 1.00 44.33 H new ATOM 0 HG SER A 7 -15.304 -0.200 4.840 1.00 52.21 H new ATOM 136 N GLU A 8 -11.950 0.888 5.663 1.00 33.03 N ATOM 137 CA GLU A 8 -11.844 1.817 6.776 1.00 53.01 C ATOM 138 C GLU A 8 -11.849 3.259 6.264 1.00 75.05 C ATOM 139 O GLU A 8 -12.105 4.189 7.026 1.00 11.10 O ATOM 140 CB GLU A 8 -10.592 1.534 7.608 1.00 50.33 C ATOM 141 CG GLU A 8 -10.494 2.495 8.795 1.00 33.05 C ATOM 142 CD GLU A 8 -11.639 2.262 9.784 1.00 44.11 C ATOM 143 OE1 GLU A 8 -12.387 3.199 10.098 1.00 71.32 O ATOM 144 OE2 GLU A 8 -11.737 1.055 10.228 1.00 31.12 O ATOM 0 H GLU A 8 -11.059 0.521 5.328 1.00 33.03 H new ATOM 0 HA GLU A 8 -12.709 1.679 7.424 1.00 53.01 H new ATOM 0 HB2 GLU A 8 -10.616 0.506 7.969 1.00 50.33 H new ATOM 0 HB3 GLU A 8 -9.705 1.632 6.982 1.00 50.33 H new ATOM 0 HG2 GLU A 8 -9.538 2.358 9.301 1.00 33.05 H new ATOM 0 HG3 GLU A 8 -10.521 3.524 8.438 1.00 33.05 H new ATOM 152 N TYR A 9 -11.563 3.398 4.978 1.00 11.51 N ATOM 153 CA TYR A 9 -11.532 4.711 4.357 1.00 34.03 C ATOM 154 C TYR A 9 -11.692 4.603 2.840 1.00 13.04 C ATOM 155 O TYR A 9 -11.666 3.506 2.285 1.00 20.14 O ATOM 156 CB TYR A 9 -10.152 5.293 4.671 1.00 23.45 C ATOM 157 CG TYR A 9 -9.084 4.239 4.966 1.00 45.31 C ATOM 158 CD1 TYR A 9 -8.411 3.629 3.926 1.00 32.35 C ATOM 159 CD2 TYR A 9 -8.793 3.896 6.270 1.00 31.32 C ATOM 160 CE1 TYR A 9 -7.405 2.636 4.203 1.00 14.04 C ATOM 161 CE2 TYR A 9 -7.787 2.902 6.547 1.00 14.01 C ATOM 162 CZ TYR A 9 -7.144 2.322 5.499 1.00 24.23 C ATOM 163 OH TYR A 9 -6.194 1.384 5.760 1.00 62.13 O ATOM 0 H TYR A 9 -11.351 2.623 4.349 1.00 11.51 H new ATOM 0 HA TYR A 9 -12.344 5.333 4.733 1.00 34.03 H new ATOM 0 HB2 TYR A 9 -9.825 5.900 3.827 1.00 23.45 H new ATOM 0 HB3 TYR A 9 -10.237 5.959 5.529 1.00 23.45 H new ATOM 0 HD1 TYR A 9 -8.639 3.896 2.905 1.00 32.35 H new ATOM 0 HD2 TYR A 9 -9.319 4.373 7.084 1.00 31.32 H new ATOM 0 HE1 TYR A 9 -6.870 2.152 3.399 1.00 14.04 H new ATOM 0 HE2 TYR A 9 -7.549 2.624 7.563 1.00 14.01 H new ATOM 0 HH TYR A 9 -6.418 0.553 5.292 1.00 62.13 H new ATOM 173 N PRO A 10 -11.860 5.789 2.193 1.00 21.33 N ATOM 174 CA PRO A 10 -12.025 5.838 0.751 1.00 5.43 C ATOM 175 C PRO A 10 -10.694 5.599 0.038 1.00 23.30 C ATOM 176 O PRO A 10 -9.676 5.347 0.682 1.00 24.20 O ATOM 177 CB PRO A 10 -12.610 7.212 0.469 1.00 2.54 C ATOM 178 CG PRO A 10 -12.319 8.051 1.703 1.00 23.32 C ATOM 179 CD PRO A 10 -11.896 7.109 2.818 1.00 44.44 C ATOM 0 HA PRO A 10 -12.683 5.054 0.377 1.00 5.43 H new ATOM 0 HB2 PRO A 10 -12.158 7.654 -0.419 1.00 2.54 H new ATOM 0 HB3 PRO A 10 -13.682 7.149 0.283 1.00 2.54 H new ATOM 0 HG2 PRO A 10 -11.531 8.775 1.495 1.00 23.32 H new ATOM 0 HG3 PRO A 10 -13.203 8.617 1.997 1.00 23.32 H new ATOM 0 HD2 PRO A 10 -10.921 7.384 3.220 1.00 44.44 H new ATOM 0 HD3 PRO A 10 -12.602 7.135 3.648 1.00 44.44 H new ATOM 187 N PHE A 11 -10.742 5.685 -1.283 1.00 12.11 N ATOM 188 CA PHE A 11 -9.552 5.480 -2.091 1.00 25.15 C ATOM 189 C PHE A 11 -8.600 6.674 -1.978 1.00 3.34 C ATOM 190 O PHE A 11 -7.403 6.542 -2.222 1.00 13.02 O ATOM 191 CB PHE A 11 -10.013 5.347 -3.544 1.00 73.12 C ATOM 192 CG PHE A 11 -8.938 5.697 -4.574 1.00 53.51 C ATOM 193 CD1 PHE A 11 -8.676 6.999 -4.869 1.00 64.31 C ATOM 194 CD2 PHE A 11 -8.242 4.706 -5.194 1.00 3.24 C ATOM 195 CE1 PHE A 11 -7.678 7.323 -5.825 1.00 0.24 C ATOM 196 CE2 PHE A 11 -7.244 5.030 -6.151 1.00 60.21 C ATOM 197 CZ PHE A 11 -6.983 6.333 -6.445 1.00 72.02 C ATOM 0 H PHE A 11 -11.587 5.894 -1.814 1.00 12.11 H new ATOM 0 HA PHE A 11 -9.021 4.591 -1.750 1.00 25.15 H new ATOM 0 HB2 PHE A 11 -10.346 4.324 -3.716 1.00 73.12 H new ATOM 0 HB3 PHE A 11 -10.876 5.994 -3.701 1.00 73.12 H new ATOM 0 HD1 PHE A 11 -9.227 7.786 -4.376 1.00 64.31 H new ATOM 0 HD2 PHE A 11 -8.449 3.672 -4.958 1.00 3.24 H new ATOM 0 HE1 PHE A 11 -7.471 8.357 -6.060 1.00 0.24 H new ATOM 0 HE2 PHE A 11 -6.693 4.243 -6.645 1.00 60.21 H new ATOM 0 HZ PHE A 11 -6.223 6.581 -7.171 1.00 72.02 H new ATOM 207 N GLU A 12 -9.171 7.811 -1.609 1.00 32.21 N ATOM 208 CA GLU A 12 -8.389 9.027 -1.461 1.00 43.50 C ATOM 209 C GLU A 12 -7.572 8.980 -0.169 1.00 41.32 C ATOM 210 O GLU A 12 -6.786 9.883 0.107 1.00 72.13 O ATOM 211 CB GLU A 12 -9.288 10.265 -1.497 1.00 61.12 C ATOM 212 CG GLU A 12 -9.961 10.415 -2.863 1.00 72.25 C ATOM 213 CD GLU A 12 -10.966 11.569 -2.855 1.00 53.25 C ATOM 214 OE1 GLU A 12 -12.168 11.342 -2.660 1.00 30.14 O ATOM 215 OE2 GLU A 12 -10.456 12.737 -3.061 1.00 20.32 O ATOM 0 H GLU A 12 -10.165 7.916 -1.408 1.00 32.21 H new ATOM 0 HA GLU A 12 -7.698 9.095 -2.301 1.00 43.50 H new ATOM 0 HB2 GLU A 12 -10.048 10.189 -0.720 1.00 61.12 H new ATOM 0 HB3 GLU A 12 -8.697 11.154 -1.279 1.00 61.12 H new ATOM 0 HG2 GLU A 12 -9.205 10.592 -3.628 1.00 72.25 H new ATOM 0 HG3 GLU A 12 -10.469 9.487 -3.126 1.00 72.25 H new ATOM 223 N LYS A 13 -7.788 7.916 0.592 1.00 5.43 N ATOM 224 CA LYS A 13 -7.083 7.738 1.849 1.00 64.41 C ATOM 225 C LYS A 13 -5.740 7.053 1.583 1.00 40.34 C ATOM 226 O LYS A 13 -4.684 7.642 1.807 1.00 3.22 O ATOM 227 CB LYS A 13 -7.962 6.997 2.856 1.00 65.01 C ATOM 228 CG LYS A 13 -7.400 7.124 4.274 1.00 14.12 C ATOM 229 CD LYS A 13 -8.071 8.274 5.028 1.00 72.31 C ATOM 230 CE LYS A 13 -7.566 9.628 4.527 1.00 2.41 C ATOM 231 NZ LYS A 13 -6.095 9.604 4.362 1.00 34.20 N ATOM 0 H LYS A 13 -8.442 7.168 0.361 1.00 5.43 H new ATOM 0 HA LYS A 13 -6.864 8.704 2.303 1.00 64.41 H new ATOM 0 HB2 LYS A 13 -8.975 7.399 2.825 1.00 65.01 H new ATOM 0 HB3 LYS A 13 -8.029 5.945 2.580 1.00 65.01 H new ATOM 0 HG2 LYS A 13 -7.554 6.190 4.815 1.00 14.12 H new ATOM 0 HG3 LYS A 13 -6.324 7.292 4.229 1.00 14.12 H new ATOM 0 HD2 LYS A 13 -9.152 8.215 4.900 1.00 72.31 H new ATOM 0 HD3 LYS A 13 -7.871 8.180 6.095 1.00 72.31 H new ATOM 0 HE2 LYS A 13 -8.041 9.871 3.576 1.00 2.41 H new ATOM 0 HE3 LYS A 13 -7.846 10.411 5.232 1.00 2.41 H new ATOM 0 HZ1 LYS A 13 -5.742 10.576 4.254 1.00 34.20 H new ATOM 0 HZ2 LYS A 13 -5.659 9.168 5.199 1.00 34.20 H new ATOM 0 HZ3 LYS A 13 -5.850 9.051 3.516 1.00 34.20 H new ATOM 245 N ARG A 14 -5.826 5.818 1.109 1.00 61.35 N ATOM 246 CA ARG A 14 -4.632 5.048 0.810 1.00 70.54 C ATOM 247 C ARG A 14 -3.763 5.788 -0.209 1.00 72.40 C ATOM 248 O ARG A 14 -2.551 5.585 -0.259 1.00 21.25 O ATOM 249 CB ARG A 14 -4.991 3.668 0.256 1.00 65.45 C ATOM 250 CG ARG A 14 -5.288 3.739 -1.243 1.00 13.40 C ATOM 251 CD ARG A 14 -6.759 4.078 -1.495 1.00 22.22 C ATOM 252 NE ARG A 14 -7.601 2.888 -1.252 1.00 41.21 N ATOM 253 CZ ARG A 14 -7.927 1.983 -2.199 1.00 43.14 C ATOM 254 NH1 ARG A 14 -7.481 2.126 -3.465 1.00 33.03 N ATOM 255 NH2 ARG A 14 -8.688 0.956 -1.871 1.00 2.22 N ATOM 0 H ARG A 14 -6.704 5.333 0.925 1.00 61.35 H new ATOM 0 HA ARG A 14 -4.078 4.921 1.740 1.00 70.54 H new ATOM 0 HB2 ARG A 14 -4.169 2.975 0.435 1.00 65.45 H new ATOM 0 HB3 ARG A 14 -5.860 3.275 0.784 1.00 65.45 H new ATOM 0 HG2 ARG A 14 -4.653 4.493 -1.708 1.00 13.40 H new ATOM 0 HG3 ARG A 14 -5.046 2.785 -1.711 1.00 13.40 H new ATOM 0 HD2 ARG A 14 -7.070 4.893 -0.842 1.00 22.22 H new ATOM 0 HD3 ARG A 14 -6.891 4.423 -2.520 1.00 22.22 H new ATOM 0 HE ARG A 14 -7.959 2.741 -0.308 1.00 41.21 H new ATOM 0 HH11 ARG A 14 -6.893 2.922 -3.712 1.00 33.03 H new ATOM 0 HH12 ARG A 14 -7.732 1.438 -4.175 1.00 33.03 H new ATOM 0 HH21 ARG A 14 -9.022 0.854 -0.913 1.00 2.22 H new ATOM 0 HH22 ARG A 14 -8.943 0.264 -2.576 1.00 2.22 H new ATOM 269 N LYS A 15 -4.415 6.630 -0.994 1.00 2.20 N ATOM 270 CA LYS A 15 -3.718 7.402 -2.009 1.00 31.35 C ATOM 271 C LYS A 15 -2.973 8.560 -1.340 1.00 5.31 C ATOM 272 O LYS A 15 -1.844 8.874 -1.714 1.00 31.23 O ATOM 273 CB LYS A 15 -4.688 7.847 -3.105 1.00 63.02 C ATOM 274 CG LYS A 15 -5.224 9.253 -2.826 1.00 33.43 C ATOM 275 CD LYS A 15 -6.126 9.732 -3.966 1.00 1.00 C ATOM 276 CE LYS A 15 -6.733 11.100 -3.647 1.00 21.04 C ATOM 277 NZ LYS A 15 -7.506 11.606 -4.803 1.00 61.42 N ATOM 0 H LYS A 15 -5.420 6.796 -0.948 1.00 2.20 H new ATOM 0 HA LYS A 15 -2.970 6.786 -2.509 1.00 31.35 H new ATOM 0 HB2 LYS A 15 -4.183 7.832 -4.071 1.00 63.02 H new ATOM 0 HB3 LYS A 15 -5.518 7.143 -3.168 1.00 63.02 H new ATOM 0 HG2 LYS A 15 -5.783 9.254 -1.890 1.00 33.43 H new ATOM 0 HG3 LYS A 15 -4.391 9.945 -2.701 1.00 33.43 H new ATOM 0 HD2 LYS A 15 -5.550 9.792 -4.889 1.00 1.00 H new ATOM 0 HD3 LYS A 15 -6.922 9.007 -4.134 1.00 1.00 H new ATOM 0 HE2 LYS A 15 -7.381 11.022 -2.774 1.00 21.04 H new ATOM 0 HE3 LYS A 15 -5.942 11.806 -3.394 1.00 21.04 H new ATOM 0 HZ1 LYS A 15 -8.208 12.299 -4.474 1.00 61.42 H new ATOM 0 HZ2 LYS A 15 -6.861 12.061 -5.480 1.00 61.42 H new ATOM 0 HZ3 LYS A 15 -7.993 10.814 -5.268 1.00 61.42 H new ATOM 291 N ALA A 16 -3.636 9.162 -0.364 1.00 43.45 N ATOM 292 CA ALA A 16 -3.050 10.277 0.360 1.00 33.41 C ATOM 293 C ALA A 16 -1.983 9.752 1.322 1.00 52.13 C ATOM 294 O ALA A 16 -1.032 10.462 1.648 1.00 11.03 O ATOM 295 CB ALA A 16 -4.155 11.053 1.082 1.00 50.03 C ATOM 0 H ALA A 16 -4.573 8.899 -0.058 1.00 43.45 H new ATOM 0 HA ALA A 16 -2.562 10.967 -0.328 1.00 33.41 H new ATOM 0 HB1 ALA A 16 -3.716 11.890 1.626 1.00 50.03 H new ATOM 0 HB2 ALA A 16 -4.871 11.430 0.352 1.00 50.03 H new ATOM 0 HB3 ALA A 16 -4.665 10.392 1.783 1.00 50.03 H new ATOM 301 N GLU A 17 -2.175 8.513 1.750 1.00 45.42 N ATOM 302 CA GLU A 17 -1.241 7.884 2.668 1.00 11.22 C ATOM 303 C GLU A 17 0.068 7.553 1.948 1.00 13.51 C ATOM 304 O GLU A 17 1.151 7.762 2.494 1.00 44.12 O ATOM 305 CB GLU A 17 -1.851 6.633 3.300 1.00 32.21 C ATOM 306 CG GLU A 17 -0.855 5.951 4.239 1.00 41.44 C ATOM 307 CD GLU A 17 -0.661 6.765 5.520 1.00 1.55 C ATOM 308 OE1 GLU A 17 -1.596 7.442 5.972 1.00 64.25 O ATOM 309 OE2 GLU A 17 0.513 6.679 6.048 1.00 63.21 O ATOM 0 H GLU A 17 -2.964 7.927 1.478 1.00 45.42 H new ATOM 0 HA GLU A 17 -1.023 8.587 3.472 1.00 11.22 H new ATOM 0 HB2 GLU A 17 -2.751 6.903 3.853 1.00 32.21 H new ATOM 0 HB3 GLU A 17 -2.154 5.937 2.518 1.00 32.21 H new ATOM 0 HG2 GLU A 17 -1.212 4.952 4.490 1.00 41.44 H new ATOM 0 HG3 GLU A 17 0.103 5.830 3.733 1.00 41.44 H new ATOM 317 N SER A 18 -0.075 7.039 0.735 1.00 32.43 N ATOM 318 CA SER A 18 1.083 6.676 -0.065 1.00 63.41 C ATOM 319 C SER A 18 1.770 7.936 -0.594 1.00 73.40 C ATOM 320 O SER A 18 2.859 7.862 -1.160 1.00 73.04 O ATOM 321 CB SER A 18 0.685 5.761 -1.225 1.00 72.20 C ATOM 322 OG SER A 18 -0.031 6.464 -2.238 1.00 23.24 O ATOM 0 H SER A 18 -0.975 6.865 0.287 1.00 32.43 H new ATOM 0 HA SER A 18 1.780 6.130 0.570 1.00 63.41 H new ATOM 0 HB2 SER A 18 1.580 5.314 -1.658 1.00 72.20 H new ATOM 0 HB3 SER A 18 0.071 4.944 -0.848 1.00 72.20 H new ATOM 0 HG SER A 18 -0.159 5.879 -3.014 1.00 23.24 H new ATOM 328 N GLU A 19 1.106 9.064 -0.389 1.00 72.31 N ATOM 329 CA GLU A 19 1.638 10.339 -0.838 1.00 1.34 C ATOM 330 C GLU A 19 2.665 10.868 0.165 1.00 3.30 C ATOM 331 O GLU A 19 3.585 11.595 -0.206 1.00 22.02 O ATOM 332 CB GLU A 19 0.516 11.354 -1.060 1.00 51.31 C ATOM 333 CG GLU A 19 -0.223 11.078 -2.370 1.00 25.43 C ATOM 334 CD GLU A 19 0.082 12.160 -3.410 1.00 10.12 C ATOM 335 OE1 GLU A 19 -0.831 12.620 -4.112 1.00 65.44 O ATOM 336 OE2 GLU A 19 1.319 12.519 -3.476 1.00 13.54 O ATOM 0 H GLU A 19 0.203 9.121 0.083 1.00 72.31 H new ATOM 0 HA GLU A 19 2.138 10.185 -1.794 1.00 1.34 H new ATOM 0 HB2 GLU A 19 -0.186 11.313 -0.227 1.00 51.31 H new ATOM 0 HB3 GLU A 19 0.931 12.362 -1.078 1.00 51.31 H new ATOM 0 HG2 GLU A 19 0.070 10.102 -2.758 1.00 25.43 H new ATOM 0 HG3 GLU A 19 -1.296 11.039 -2.185 1.00 25.43 H new ATOM 344 N ARG A 20 2.475 10.481 1.418 1.00 64.42 N ATOM 345 CA ARG A 20 3.373 10.907 2.478 1.00 61.32 C ATOM 346 C ARG A 20 4.346 9.781 2.833 1.00 72.54 C ATOM 347 O ARG A 20 5.473 10.039 3.254 1.00 12.42 O ATOM 348 CB ARG A 20 2.595 11.314 3.731 1.00 21.21 C ATOM 349 CG ARG A 20 1.859 10.114 4.331 1.00 4.23 C ATOM 350 CD ARG A 20 1.040 10.530 5.555 1.00 54.55 C ATOM 351 NE ARG A 20 0.878 9.378 6.471 1.00 51.32 N ATOM 352 CZ ARG A 20 0.126 9.403 7.592 1.00 55.13 C ATOM 353 NH1 ARG A 20 -0.540 10.522 7.946 1.00 61.44 N ATOM 354 NH2 ARG A 20 0.052 8.316 8.337 1.00 74.03 N ATOM 0 H ARG A 20 1.712 9.877 1.723 1.00 64.42 H new ATOM 0 HA ARG A 20 3.928 11.771 2.114 1.00 61.32 H new ATOM 0 HB2 ARG A 20 3.280 11.732 4.469 1.00 21.21 H new ATOM 0 HB3 ARG A 20 1.879 12.097 3.481 1.00 21.21 H new ATOM 0 HG2 ARG A 20 1.201 9.674 3.581 1.00 4.23 H new ATOM 0 HG3 ARG A 20 2.579 9.346 4.614 1.00 4.23 H new ATOM 0 HD2 ARG A 20 1.536 11.350 6.073 1.00 54.55 H new ATOM 0 HD3 ARG A 20 0.062 10.896 5.241 1.00 54.55 H new ATOM 0 HE ARG A 20 1.365 8.512 6.241 1.00 51.32 H new ATOM 0 HH11 ARG A 20 -0.478 11.358 7.365 1.00 61.44 H new ATOM 0 HH12 ARG A 20 -1.106 10.532 8.795 1.00 61.44 H new ATOM 0 HH21 ARG A 20 0.558 7.474 8.063 1.00 74.03 H new ATOM 0 HH22 ARG A 20 -0.512 8.318 9.187 1.00 74.03 H new ATOM 368 N ILE A 21 3.876 8.556 2.650 1.00 62.20 N ATOM 369 CA ILE A 21 4.690 7.389 2.947 1.00 14.54 C ATOM 370 C ILE A 21 5.924 7.391 2.042 1.00 33.24 C ATOM 371 O ILE A 21 6.926 6.748 2.351 1.00 12.23 O ATOM 372 CB ILE A 21 3.854 6.113 2.844 1.00 70.13 C ATOM 373 CG1 ILE A 21 3.034 5.891 4.117 1.00 52.51 C ATOM 374 CG2 ILE A 21 4.734 4.906 2.514 1.00 40.52 C ATOM 375 CD1 ILE A 21 2.335 4.530 4.089 1.00 64.42 C ATOM 0 H ILE A 21 2.941 8.346 2.300 1.00 62.20 H new ATOM 0 HA ILE A 21 5.048 7.425 3.976 1.00 14.54 H new ATOM 0 HB ILE A 21 3.149 6.233 2.022 1.00 70.13 H new ATOM 0 HG12 ILE A 21 3.686 5.951 4.989 1.00 52.51 H new ATOM 0 HG13 ILE A 21 2.292 6.683 4.219 1.00 52.51 H new ATOM 0 HG21 ILE A 21 4.115 4.012 2.447 1.00 40.52 H new ATOM 0 HG22 ILE A 21 5.237 5.072 1.561 1.00 40.52 H new ATOM 0 HG23 ILE A 21 5.479 4.773 3.299 1.00 40.52 H new ATOM 0 HD11 ILE A 21 1.759 4.398 5.005 1.00 64.42 H new ATOM 0 HD12 ILE A 21 1.666 4.482 3.230 1.00 64.42 H new ATOM 0 HD13 ILE A 21 3.081 3.739 4.012 1.00 64.42 H new ATOM 387 N ALA A 22 5.811 8.121 0.943 1.00 53.32 N ATOM 388 CA ALA A 22 6.904 8.215 -0.010 1.00 24.25 C ATOM 389 C ALA A 22 8.024 9.068 0.589 1.00 24.12 C ATOM 390 O ALA A 22 9.169 8.994 0.146 1.00 11.34 O ATOM 391 CB ALA A 22 6.383 8.781 -1.333 1.00 5.11 C ATOM 0 H ALA A 22 4.979 8.654 0.691 1.00 53.32 H new ATOM 0 HA ALA A 22 7.317 7.228 -0.219 1.00 24.25 H new ATOM 0 HB1 ALA A 22 7.204 8.851 -2.047 1.00 5.11 H new ATOM 0 HB2 ALA A 22 5.611 8.123 -1.731 1.00 5.11 H new ATOM 0 HB3 ALA A 22 5.963 9.773 -1.164 1.00 5.11 H new ATOM 397 N ASP A 23 7.652 9.861 1.583 1.00 25.10 N ATOM 398 CA ASP A 23 8.612 10.728 2.247 1.00 52.05 C ATOM 399 C ASP A 23 9.020 10.102 3.581 1.00 73.32 C ATOM 400 O ASP A 23 10.176 10.203 3.990 1.00 52.31 O ATOM 401 CB ASP A 23 8.003 12.102 2.536 1.00 42.33 C ATOM 402 CG ASP A 23 9.004 13.173 2.975 1.00 74.04 C ATOM 403 OD1 ASP A 23 9.725 13.750 2.148 1.00 25.13 O ATOM 404 OD2 ASP A 23 9.027 13.410 4.242 1.00 10.42 O ATOM 0 H ASP A 23 6.700 9.922 1.945 1.00 25.10 H new ATOM 0 HA ASP A 23 9.473 10.845 1.589 1.00 52.05 H new ATOM 0 HB2 ASP A 23 7.490 12.451 1.640 1.00 42.33 H new ATOM 0 HB3 ASP A 23 7.247 11.992 3.314 1.00 42.33 H new ATOM 410 N ARG A 24 8.050 9.469 4.224 1.00 2.03 N ATOM 411 CA ARG A 24 8.295 8.828 5.505 1.00 72.20 C ATOM 412 C ARG A 24 9.159 7.579 5.315 1.00 42.41 C ATOM 413 O ARG A 24 10.193 7.431 5.966 1.00 42.21 O ATOM 414 CB ARG A 24 6.981 8.431 6.182 1.00 3.23 C ATOM 415 CG ARG A 24 7.054 8.659 7.693 1.00 41.44 C ATOM 416 CD ARG A 24 5.668 8.549 8.331 1.00 53.35 C ATOM 417 NE ARG A 24 5.760 7.838 9.625 1.00 3.11 N ATOM 418 CZ ARG A 24 4.742 7.152 10.187 1.00 64.41 C ATOM 419 NH1 ARG A 24 3.543 7.080 9.573 1.00 24.30 N ATOM 420 NH2 ARG A 24 4.938 6.553 11.348 1.00 54.54 N ATOM 0 H ARG A 24 7.093 9.386 3.882 1.00 2.03 H new ATOM 0 HA ARG A 24 8.817 9.544 6.140 1.00 72.20 H new ATOM 0 HB2 ARG A 24 6.161 9.013 5.762 1.00 3.23 H new ATOM 0 HB3 ARG A 24 6.765 7.382 5.979 1.00 3.23 H new ATOM 0 HG2 ARG A 24 7.725 7.927 8.143 1.00 41.44 H new ATOM 0 HG3 ARG A 24 7.475 9.644 7.896 1.00 41.44 H new ATOM 0 HD2 ARG A 24 5.249 9.544 8.483 1.00 53.35 H new ATOM 0 HD3 ARG A 24 4.992 8.017 7.662 1.00 53.35 H new ATOM 0 HE ARG A 24 6.649 7.868 10.124 1.00 3.11 H new ATOM 0 HH11 ARG A 24 3.400 7.546 8.677 1.00 24.30 H new ATOM 0 HH12 ARG A 24 2.779 6.560 10.005 1.00 24.30 H new ATOM 0 HH21 ARG A 24 5.848 6.613 11.806 1.00 54.54 H new ATOM 0 HH22 ARG A 24 4.180 6.030 11.787 1.00 54.54 H new ATOM 434 N PHE A 25 8.705 6.713 4.422 1.00 64.32 N ATOM 435 CA PHE A 25 9.424 5.483 4.140 1.00 21.45 C ATOM 436 C PHE A 25 9.486 5.217 2.634 1.00 22.31 C ATOM 437 O PHE A 25 8.690 4.444 2.102 1.00 4.20 O ATOM 438 CB PHE A 25 8.652 4.348 4.814 1.00 21.33 C ATOM 439 CG PHE A 25 8.055 4.723 6.172 1.00 40.00 C ATOM 440 CD1 PHE A 25 8.853 4.788 7.272 1.00 31.32 C ATOM 441 CD2 PHE A 25 6.726 4.991 6.280 1.00 62.14 C ATOM 442 CE1 PHE A 25 8.300 5.137 8.532 1.00 64.13 C ATOM 443 CE2 PHE A 25 6.173 5.339 7.540 1.00 33.12 C ATOM 444 CZ PHE A 25 6.971 5.405 8.640 1.00 35.34 C ATOM 0 H PHE A 25 7.848 6.839 3.884 1.00 64.32 H new ATOM 0 HA PHE A 25 10.446 5.557 4.512 1.00 21.45 H new ATOM 0 HB2 PHE A 25 7.849 4.025 4.152 1.00 21.33 H new ATOM 0 HB3 PHE A 25 9.319 3.496 4.945 1.00 21.33 H new ATOM 0 HD1 PHE A 25 9.908 4.574 7.187 1.00 31.32 H new ATOM 0 HD2 PHE A 25 6.092 4.939 5.407 1.00 62.14 H new ATOM 0 HE1 PHE A 25 8.934 5.190 9.404 1.00 64.13 H new ATOM 0 HE2 PHE A 25 5.118 5.552 7.626 1.00 33.12 H new ATOM 0 HZ PHE A 25 6.549 5.670 9.598 1.00 35.34 H new ATOM 454 N PRO A 26 10.464 5.890 1.970 1.00 41.11 N ATOM 455 CA PRO A 26 10.640 5.735 0.536 1.00 13.25 C ATOM 456 C PRO A 26 11.292 4.390 0.208 1.00 62.02 C ATOM 457 O PRO A 26 11.389 4.012 -0.959 1.00 74.20 O ATOM 458 CB PRO A 26 11.483 6.925 0.112 1.00 14.12 C ATOM 459 CG PRO A 26 12.136 7.447 1.382 1.00 11.53 C ATOM 460 CD PRO A 26 11.426 6.813 2.567 1.00 22.31 C ATOM 0 HA PRO A 26 9.695 5.723 -0.006 1.00 13.25 H new ATOM 0 HB2 PRO A 26 12.234 6.630 -0.621 1.00 14.12 H new ATOM 0 HB3 PRO A 26 10.867 7.694 -0.355 1.00 14.12 H new ATOM 0 HG2 PRO A 26 13.197 7.198 1.395 1.00 11.53 H new ATOM 0 HG3 PRO A 26 12.063 8.533 1.430 1.00 11.53 H new ATOM 0 HD2 PRO A 26 12.128 6.289 3.216 1.00 22.31 H new ATOM 0 HD3 PRO A 26 10.927 7.565 3.179 1.00 22.31 H new ATOM 468 N ASN A 27 11.725 3.705 1.255 1.00 3.54 N ATOM 469 CA ASN A 27 12.366 2.411 1.092 1.00 53.31 C ATOM 470 C ASN A 27 11.413 1.312 1.565 1.00 42.04 C ATOM 471 O ASN A 27 11.852 0.246 1.991 1.00 41.30 O ATOM 472 CB ASN A 27 13.644 2.321 1.929 1.00 71.12 C ATOM 473 CG ASN A 27 13.439 2.936 3.313 1.00 53.14 C ATOM 474 OD1 ASN A 27 12.422 2.746 3.960 1.00 72.44 O ATOM 475 ND2 ASN A 27 14.458 3.681 3.731 1.00 54.31 N ATOM 0 H ASN A 27 11.645 4.022 2.221 1.00 3.54 H new ATOM 0 HA ASN A 27 12.615 2.288 0.038 1.00 53.31 H new ATOM 0 HB2 ASN A 27 13.943 1.278 2.032 1.00 71.12 H new ATOM 0 HB3 ASN A 27 14.456 2.836 1.415 1.00 71.12 H new ATOM 0 HD21 ASN A 27 14.417 4.135 4.644 1.00 54.31 H new ATOM 0 HD22 ASN A 27 15.280 3.799 3.139 1.00 54.31 H new ATOM 482 N ARG A 28 10.126 1.609 1.472 1.00 14.04 N ATOM 483 CA ARG A 28 9.106 0.658 1.886 1.00 70.34 C ATOM 484 C ARG A 28 8.294 0.193 0.676 1.00 20.11 C ATOM 485 O ARG A 28 8.523 0.647 -0.445 1.00 11.54 O ATOM 486 CB ARG A 28 8.162 1.278 2.917 1.00 32.42 C ATOM 487 CG ARG A 28 8.763 1.208 4.322 1.00 75.13 C ATOM 488 CD ARG A 28 8.840 -0.237 4.816 1.00 41.41 C ATOM 489 NE ARG A 28 8.729 -0.276 6.291 1.00 33.42 N ATOM 490 CZ ARG A 28 9.724 0.077 7.133 1.00 25.54 C ATOM 491 NH1 ARG A 28 10.913 0.499 6.651 1.00 25.31 N ATOM 492 NH2 ARG A 28 9.516 0.005 8.435 1.00 71.52 N ATOM 0 H ARG A 28 9.765 2.494 1.116 1.00 14.04 H new ATOM 0 HA ARG A 28 9.611 -0.195 2.339 1.00 70.34 H new ATOM 0 HB2 ARG A 28 7.962 2.317 2.654 1.00 32.42 H new ATOM 0 HB3 ARG A 28 7.206 0.756 2.900 1.00 32.42 H new ATOM 0 HG2 ARG A 28 9.760 1.647 4.317 1.00 75.13 H new ATOM 0 HG3 ARG A 28 8.158 1.799 5.010 1.00 75.13 H new ATOM 0 HD2 ARG A 28 8.040 -0.826 4.368 1.00 41.41 H new ATOM 0 HD3 ARG A 28 9.782 -0.687 4.502 1.00 41.41 H new ATOM 0 HE ARG A 28 7.847 -0.589 6.697 1.00 33.42 H new ATOM 0 HH11 ARG A 28 11.065 0.553 5.644 1.00 25.31 H new ATOM 0 HH12 ARG A 28 11.659 0.764 7.294 1.00 25.31 H new ATOM 0 HH21 ARG A 28 8.615 -0.313 8.791 1.00 71.52 H new ATOM 0 HH22 ARG A 28 10.257 0.268 9.085 1.00 71.52 H new ATOM 506 N ILE A 29 7.360 -0.709 0.941 1.00 73.21 N ATOM 507 CA ILE A 29 6.512 -1.242 -0.112 1.00 73.02 C ATOM 508 C ILE A 29 5.131 -1.561 0.464 1.00 4.10 C ATOM 509 O ILE A 29 4.908 -2.653 0.984 1.00 71.12 O ATOM 510 CB ILE A 29 7.188 -2.437 -0.789 1.00 63.20 C ATOM 511 CG1 ILE A 29 8.485 -2.014 -1.481 1.00 33.13 C ATOM 512 CG2 ILE A 29 6.226 -3.136 -1.751 1.00 31.31 C ATOM 513 CD1 ILE A 29 8.200 -1.059 -2.642 1.00 4.23 C ATOM 0 H ILE A 29 7.172 -1.084 1.871 1.00 73.21 H new ATOM 0 HA ILE A 29 6.366 -0.500 -0.897 1.00 73.02 H new ATOM 0 HB ILE A 29 7.456 -3.160 -0.019 1.00 63.20 H new ATOM 0 HG12 ILE A 29 9.145 -1.530 -0.761 1.00 33.13 H new ATOM 0 HG13 ILE A 29 9.009 -2.896 -1.851 1.00 33.13 H new ATOM 0 HG21 ILE A 29 6.730 -3.981 -2.219 1.00 31.31 H new ATOM 0 HG22 ILE A 29 5.355 -3.492 -1.200 1.00 31.31 H new ATOM 0 HG23 ILE A 29 5.906 -2.433 -2.520 1.00 31.31 H new ATOM 0 HD11 ILE A 29 9.139 -0.773 -3.117 1.00 4.23 H new ATOM 0 HD12 ILE A 29 7.560 -1.555 -3.372 1.00 4.23 H new ATOM 0 HD13 ILE A 29 7.698 -0.168 -2.265 1.00 4.23 H new ATOM 525 N PRO A 30 4.217 -0.561 0.348 1.00 11.44 N ATOM 526 CA PRO A 30 2.863 -0.725 0.852 1.00 41.20 C ATOM 527 C PRO A 30 2.042 -1.630 -0.068 1.00 64.02 C ATOM 528 O PRO A 30 1.853 -1.319 -1.244 1.00 31.24 O ATOM 529 CB PRO A 30 2.307 0.687 0.949 1.00 23.13 C ATOM 530 CG PRO A 30 3.194 1.546 0.063 1.00 14.13 C ATOM 531 CD PRO A 30 4.445 0.746 -0.261 1.00 23.23 C ATOM 0 HA PRO A 30 2.831 -1.219 1.823 1.00 41.20 H new ATOM 0 HB2 PRO A 30 1.270 0.722 0.615 1.00 23.13 H new ATOM 0 HB3 PRO A 30 2.322 1.043 1.979 1.00 23.13 H new ATOM 0 HG2 PRO A 30 2.669 1.820 -0.852 1.00 14.13 H new ATOM 0 HG3 PRO A 30 3.456 2.474 0.571 1.00 14.13 H new ATOM 0 HD2 PRO A 30 4.593 0.661 -1.338 1.00 23.23 H new ATOM 0 HD3 PRO A 30 5.337 1.223 0.146 1.00 23.23 H new ATOM 539 N VAL A 31 1.575 -2.731 0.500 1.00 35.55 N ATOM 540 CA VAL A 31 0.777 -3.683 -0.253 1.00 53.01 C ATOM 541 C VAL A 31 -0.397 -4.154 0.607 1.00 30.13 C ATOM 542 O VAL A 31 -0.282 -4.231 1.829 1.00 73.51 O ATOM 543 CB VAL A 31 1.660 -4.834 -0.742 1.00 32.41 C ATOM 544 CG1 VAL A 31 2.445 -5.451 0.417 1.00 75.34 C ATOM 545 CG2 VAL A 31 0.828 -5.893 -1.467 1.00 45.11 C ATOM 0 H VAL A 31 1.734 -2.986 1.475 1.00 35.55 H new ATOM 0 HA VAL A 31 0.358 -3.211 -1.142 1.00 53.01 H new ATOM 0 HB VAL A 31 2.378 -4.428 -1.454 1.00 32.41 H new ATOM 0 HG11 VAL A 31 3.065 -6.266 0.044 1.00 75.34 H new ATOM 0 HG12 VAL A 31 3.081 -4.691 0.871 1.00 75.34 H new ATOM 0 HG13 VAL A 31 1.750 -5.836 1.163 1.00 75.34 H new ATOM 0 HG21 VAL A 31 1.479 -6.699 -1.804 1.00 45.11 H new ATOM 0 HG22 VAL A 31 0.077 -6.294 -0.787 1.00 45.11 H new ATOM 0 HG23 VAL A 31 0.334 -5.442 -2.328 1.00 45.11 H new ATOM 555 N ILE A 32 -1.498 -4.457 -0.064 1.00 65.24 N ATOM 556 CA ILE A 32 -2.692 -4.918 0.624 1.00 51.12 C ATOM 557 C ILE A 32 -2.959 -6.377 0.249 1.00 43.11 C ATOM 558 O ILE A 32 -3.412 -6.665 -0.857 1.00 14.33 O ATOM 559 CB ILE A 32 -3.870 -3.984 0.338 1.00 11.34 C ATOM 560 CG1 ILE A 32 -3.539 -2.546 0.743 1.00 25.11 C ATOM 561 CG2 ILE A 32 -5.147 -4.491 1.011 1.00 63.41 C ATOM 562 CD1 ILE A 32 -3.065 -2.480 2.197 1.00 50.14 C ATOM 0 H ILE A 32 -1.589 -4.392 -1.078 1.00 65.24 H new ATOM 0 HA ILE A 32 -2.546 -4.887 1.704 1.00 51.12 H new ATOM 0 HB ILE A 32 -4.053 -3.982 -0.737 1.00 11.34 H new ATOM 0 HG12 ILE A 32 -2.765 -2.149 0.086 1.00 25.11 H new ATOM 0 HG13 ILE A 32 -4.420 -1.917 0.615 1.00 25.11 H new ATOM 0 HG21 ILE A 32 -5.969 -3.809 0.792 1.00 63.41 H new ATOM 0 HG22 ILE A 32 -5.388 -5.484 0.632 1.00 63.41 H new ATOM 0 HG23 ILE A 32 -4.995 -4.541 2.089 1.00 63.41 H new ATOM 0 HD11 ILE A 32 -2.837 -1.447 2.459 1.00 50.14 H new ATOM 0 HD12 ILE A 32 -3.850 -2.855 2.853 1.00 50.14 H new ATOM 0 HD13 ILE A 32 -2.170 -3.091 2.316 1.00 50.14 H new ATOM 574 N CYS A 33 -2.668 -7.260 1.194 1.00 2.21 N ATOM 575 CA CYS A 33 -2.870 -8.681 0.977 1.00 35.42 C ATOM 576 C CYS A 33 -4.258 -9.055 1.503 1.00 3.32 C ATOM 577 O CYS A 33 -4.597 -8.746 2.645 1.00 43.20 O ATOM 578 CB CYS A 33 -1.768 -9.517 1.633 1.00 33.30 C ATOM 579 SG CYS A 33 -1.554 -11.093 0.727 1.00 13.01 S ATOM 0 H CYS A 33 -2.294 -7.018 2.111 1.00 2.21 H new ATOM 0 HA CYS A 33 -2.815 -8.899 -0.090 1.00 35.42 H new ATOM 0 HB2 CYS A 33 -0.831 -8.960 1.637 1.00 33.30 H new ATOM 0 HB3 CYS A 33 -2.023 -9.718 2.673 1.00 33.30 H new ATOM 0 HG CYS A 33 -0.318 -11.485 0.823 1.00 13.01 H new ATOM 585 N GLU A 34 -5.025 -9.712 0.645 1.00 15.11 N ATOM 586 CA GLU A 34 -6.368 -10.130 1.008 1.00 60.01 C ATOM 587 C GLU A 34 -6.537 -11.633 0.777 1.00 42.00 C ATOM 588 O GLU A 34 -5.713 -12.258 0.112 1.00 21.50 O ATOM 589 CB GLU A 34 -7.418 -9.333 0.233 1.00 74.13 C ATOM 590 CG GLU A 34 -8.813 -9.540 0.828 1.00 21.12 C ATOM 591 CD GLU A 34 -8.787 -9.378 2.350 1.00 33.02 C ATOM 592 OE1 GLU A 34 -8.382 -10.306 3.066 1.00 61.31 O ATOM 593 OE2 GLU A 34 -9.209 -8.239 2.785 1.00 64.42 O ATOM 0 H GLU A 34 -4.741 -9.965 -0.301 1.00 15.11 H new ATOM 0 HA GLU A 34 -6.517 -9.927 2.069 1.00 60.01 H new ATOM 0 HB2 GLU A 34 -7.164 -8.273 0.253 1.00 74.13 H new ATOM 0 HB3 GLU A 34 -7.415 -9.641 -0.812 1.00 74.13 H new ATOM 0 HG2 GLU A 34 -9.508 -8.822 0.394 1.00 21.12 H new ATOM 0 HG3 GLU A 34 -9.179 -10.534 0.570 1.00 21.12 H new ATOM 601 N LYS A 35 -7.611 -12.168 1.339 1.00 12.15 N ATOM 602 CA LYS A 35 -7.898 -13.586 1.201 1.00 74.11 C ATOM 603 C LYS A 35 -9.025 -13.777 0.184 1.00 65.13 C ATOM 604 O LYS A 35 -10.082 -13.160 0.301 1.00 52.34 O ATOM 605 CB LYS A 35 -8.192 -14.208 2.569 1.00 54.43 C ATOM 606 CG LYS A 35 -7.743 -15.670 2.614 1.00 11.23 C ATOM 607 CD LYS A 35 -8.734 -16.570 1.873 1.00 11.40 C ATOM 608 CE LYS A 35 -9.918 -16.939 2.770 1.00 71.14 C ATOM 609 NZ LYS A 35 -10.994 -15.932 2.645 1.00 23.43 N ATOM 0 H LYS A 35 -8.292 -11.646 1.890 1.00 12.15 H new ATOM 0 HA LYS A 35 -7.027 -14.116 0.815 1.00 74.11 H new ATOM 0 HB2 LYS A 35 -7.680 -13.642 3.347 1.00 54.43 H new ATOM 0 HB3 LYS A 35 -9.260 -14.145 2.779 1.00 54.43 H new ATOM 0 HG2 LYS A 35 -6.754 -15.765 2.165 1.00 11.23 H new ATOM 0 HG3 LYS A 35 -7.655 -15.996 3.651 1.00 11.23 H new ATOM 0 HD2 LYS A 35 -9.095 -16.061 0.980 1.00 11.40 H new ATOM 0 HD3 LYS A 35 -8.229 -17.477 1.541 1.00 11.40 H new ATOM 0 HE2 LYS A 35 -10.298 -17.923 2.495 1.00 71.14 H new ATOM 0 HE3 LYS A 35 -9.590 -17.003 3.808 1.00 71.14 H new ATOM 0 HZ1 LYS A 35 -11.918 -16.396 2.756 1.00 23.43 H new ATOM 0 HZ2 LYS A 35 -10.879 -15.208 3.383 1.00 23.43 H new ATOM 0 HZ3 LYS A 35 -10.942 -15.483 1.708 1.00 23.43 H new ATOM 623 N ALA A 36 -8.759 -14.634 -0.790 1.00 44.15 N ATOM 624 CA ALA A 36 -9.737 -14.914 -1.828 1.00 42.21 C ATOM 625 C ALA A 36 -10.889 -15.726 -1.231 1.00 35.03 C ATOM 626 O ALA A 36 -10.664 -16.638 -0.438 1.00 61.54 O ATOM 627 CB ALA A 36 -9.056 -15.638 -2.991 1.00 55.13 C ATOM 0 H ALA A 36 -7.881 -15.144 -0.883 1.00 44.15 H new ATOM 0 HA ALA A 36 -10.155 -13.987 -2.221 1.00 42.21 H new ATOM 0 HB1 ALA A 36 -9.790 -15.848 -3.769 1.00 55.13 H new ATOM 0 HB2 ALA A 36 -8.265 -15.008 -3.399 1.00 55.13 H new ATOM 0 HB3 ALA A 36 -8.627 -16.575 -2.635 1.00 55.13 H new ATOM 633 N GLU A 37 -12.097 -15.364 -1.636 1.00 33.15 N ATOM 634 CA GLU A 37 -13.284 -16.047 -1.152 1.00 72.10 C ATOM 635 C GLU A 37 -13.256 -17.520 -1.565 1.00 21.01 C ATOM 636 O GLU A 37 -13.469 -18.404 -0.739 1.00 64.00 O ATOM 637 CB GLU A 37 -14.557 -15.361 -1.655 1.00 2.12 C ATOM 638 CG GLU A 37 -14.751 -15.597 -3.154 1.00 54.13 C ATOM 639 CD GLU A 37 -15.895 -14.741 -3.700 1.00 3.31 C ATOM 640 OE1 GLU A 37 -16.986 -15.265 -3.975 1.00 60.30 O ATOM 641 OE2 GLU A 37 -15.621 -13.488 -3.837 1.00 23.54 O ATOM 0 H GLU A 37 -12.279 -14.606 -2.294 1.00 33.15 H new ATOM 0 HA GLU A 37 -13.289 -15.995 -0.063 1.00 72.10 H new ATOM 0 HB2 GLU A 37 -15.420 -15.742 -1.109 1.00 2.12 H new ATOM 0 HB3 GLU A 37 -14.501 -14.291 -1.456 1.00 2.12 H new ATOM 0 HG2 GLU A 37 -13.829 -15.360 -3.685 1.00 54.13 H new ATOM 0 HG3 GLU A 37 -14.962 -16.651 -3.336 1.00 54.13 H new ATOM 649 N LYS A 38 -12.992 -17.736 -2.846 1.00 32.50 N ATOM 650 CA LYS A 38 -12.933 -19.086 -3.380 1.00 70.13 C ATOM 651 C LYS A 38 -12.128 -19.972 -2.426 1.00 34.33 C ATOM 652 O LYS A 38 -12.585 -21.047 -2.038 1.00 61.34 O ATOM 653 CB LYS A 38 -12.392 -19.073 -4.811 1.00 31.21 C ATOM 654 CG LYS A 38 -13.010 -17.931 -5.620 1.00 30.31 C ATOM 655 CD LYS A 38 -11.993 -16.809 -5.848 1.00 62.11 C ATOM 656 CE LYS A 38 -11.293 -16.970 -7.198 1.00 24.23 C ATOM 657 NZ LYS A 38 -10.290 -15.898 -7.393 1.00 2.33 N ATOM 0 H LYS A 38 -12.817 -16.999 -3.529 1.00 32.50 H new ATOM 0 HA LYS A 38 -13.933 -19.514 -3.446 1.00 70.13 H new ATOM 0 HB2 LYS A 38 -11.308 -18.965 -4.793 1.00 31.21 H new ATOM 0 HB3 LYS A 38 -12.610 -20.025 -5.295 1.00 31.21 H new ATOM 0 HG2 LYS A 38 -13.362 -18.309 -6.580 1.00 30.31 H new ATOM 0 HG3 LYS A 38 -13.880 -17.537 -5.095 1.00 30.31 H new ATOM 0 HD2 LYS A 38 -12.497 -15.843 -5.808 1.00 62.11 H new ATOM 0 HD3 LYS A 38 -11.253 -16.816 -5.048 1.00 62.11 H new ATOM 0 HE2 LYS A 38 -10.807 -17.944 -7.248 1.00 24.23 H new ATOM 0 HE3 LYS A 38 -12.029 -16.939 -8.002 1.00 24.23 H new ATOM 0 HZ1 LYS A 38 -9.824 -16.022 -8.314 1.00 2.33 H new ATOM 0 HZ2 LYS A 38 -10.762 -14.972 -7.366 1.00 2.33 H new ATOM 0 HZ3 LYS A 38 -9.579 -15.946 -6.636 1.00 2.33 H new ATOM 671 N SER A 39 -10.946 -19.489 -2.077 1.00 31.52 N ATOM 672 CA SER A 39 -10.074 -20.224 -1.175 1.00 23.13 C ATOM 673 C SER A 39 -10.888 -20.809 -0.020 1.00 61.22 C ATOM 674 O SER A 39 -12.024 -20.398 0.215 1.00 52.33 O ATOM 675 CB SER A 39 -8.956 -19.328 -0.638 1.00 23.31 C ATOM 676 OG SER A 39 -8.672 -19.595 0.733 1.00 4.43 O ATOM 0 H SER A 39 -10.571 -18.598 -2.402 1.00 31.52 H new ATOM 0 HA SER A 39 -9.613 -21.038 -1.733 1.00 23.13 H new ATOM 0 HB2 SER A 39 -8.054 -19.478 -1.231 1.00 23.31 H new ATOM 0 HB3 SER A 39 -9.242 -18.283 -0.752 1.00 23.31 H new ATOM 0 HG SER A 39 -9.411 -19.271 1.289 1.00 4.43 H new ATOM 682 N ASP A 40 -10.277 -21.759 0.673 1.00 65.12 N ATOM 683 CA ASP A 40 -10.931 -22.403 1.798 1.00 2.54 C ATOM 684 C ASP A 40 -10.135 -22.122 3.075 1.00 55.42 C ATOM 685 O ASP A 40 -10.494 -22.596 4.152 1.00 54.00 O ATOM 686 CB ASP A 40 -10.993 -23.919 1.605 1.00 11.34 C ATOM 687 CG ASP A 40 -12.025 -24.399 0.583 1.00 55.40 C ATOM 688 OD1 ASP A 40 -12.189 -25.609 0.361 1.00 20.22 O ATOM 689 OD2 ASP A 40 -12.683 -23.461 -0.010 1.00 14.32 O ATOM 0 H ASP A 40 -9.335 -22.098 0.476 1.00 65.12 H new ATOM 0 HA ASP A 40 -11.944 -22.007 1.871 1.00 2.54 H new ATOM 0 HB2 ASP A 40 -10.008 -24.272 1.298 1.00 11.34 H new ATOM 0 HB3 ASP A 40 -11.212 -24.384 2.566 1.00 11.34 H new ATOM 695 N ILE A 41 -9.071 -21.350 2.912 1.00 65.22 N ATOM 696 CA ILE A 41 -8.222 -20.998 4.038 1.00 75.43 C ATOM 697 C ILE A 41 -8.925 -19.941 4.892 1.00 34.44 C ATOM 698 O ILE A 41 -9.909 -19.342 4.459 1.00 24.44 O ATOM 699 CB ILE A 41 -6.835 -20.572 3.552 1.00 1.44 C ATOM 700 CG1 ILE A 41 -6.744 -19.051 3.422 1.00 4.10 C ATOM 701 CG2 ILE A 41 -6.471 -21.282 2.246 1.00 21.52 C ATOM 702 CD1 ILE A 41 -5.612 -18.649 2.473 1.00 2.30 C ATOM 0 H ILE A 41 -8.777 -20.958 2.017 1.00 65.22 H new ATOM 0 HA ILE A 41 -8.058 -21.866 4.676 1.00 75.43 H new ATOM 0 HB ILE A 41 -6.102 -20.876 4.299 1.00 1.44 H new ATOM 0 HG12 ILE A 41 -7.691 -18.657 3.053 1.00 4.10 H new ATOM 0 HG13 ILE A 41 -6.575 -18.608 4.403 1.00 4.10 H new ATOM 0 HG21 ILE A 41 -5.481 -20.962 1.922 1.00 21.52 H new ATOM 0 HG22 ILE A 41 -6.470 -22.360 2.406 1.00 21.52 H new ATOM 0 HG23 ILE A 41 -7.203 -21.030 1.479 1.00 21.52 H new ATOM 0 HD11 ILE A 41 -5.569 -17.562 2.398 1.00 2.30 H new ATOM 0 HD12 ILE A 41 -4.664 -19.024 2.858 1.00 2.30 H new ATOM 0 HD13 ILE A 41 -5.796 -19.074 1.486 1.00 2.30 H new ATOM 714 N PRO A 42 -8.380 -19.740 6.120 1.00 50.44 N ATOM 715 CA PRO A 42 -8.945 -18.765 7.040 1.00 24.42 C ATOM 716 C PRO A 42 -8.592 -17.340 6.611 1.00 24.50 C ATOM 717 O PRO A 42 -7.424 -17.024 6.389 1.00 43.12 O ATOM 718 CB PRO A 42 -8.378 -19.133 8.402 1.00 64.40 C ATOM 719 CG PRO A 42 -7.161 -20.003 8.125 1.00 30.21 C ATOM 720 CD PRO A 42 -7.216 -20.431 6.667 1.00 32.44 C ATOM 0 HA PRO A 42 -10.035 -18.786 7.059 1.00 24.42 H new ATOM 0 HB2 PRO A 42 -8.101 -18.241 8.964 1.00 64.40 H new ATOM 0 HB3 PRO A 42 -9.114 -19.670 9.000 1.00 64.40 H new ATOM 0 HG2 PRO A 42 -6.243 -19.451 8.326 1.00 30.21 H new ATOM 0 HG3 PRO A 42 -7.158 -20.875 8.779 1.00 30.21 H new ATOM 0 HD2 PRO A 42 -6.305 -20.151 6.138 1.00 32.44 H new ATOM 0 HD3 PRO A 42 -7.319 -21.512 6.576 1.00 32.44 H new ATOM 728 N GLU A 43 -9.625 -16.514 6.507 1.00 42.44 N ATOM 729 CA GLU A 43 -9.439 -15.130 6.109 1.00 50.22 C ATOM 730 C GLU A 43 -8.573 -14.394 7.135 1.00 11.31 C ATOM 731 O GLU A 43 -8.499 -14.799 8.294 1.00 21.42 O ATOM 732 CB GLU A 43 -10.785 -14.427 5.922 1.00 1.13 C ATOM 733 CG GLU A 43 -10.622 -13.132 5.126 1.00 32.10 C ATOM 734 CD GLU A 43 -11.873 -12.838 4.297 1.00 74.43 C ATOM 735 OE1 GLU A 43 -11.784 -12.700 3.067 1.00 70.25 O ATOM 736 OE2 GLU A 43 -12.969 -12.753 4.973 1.00 12.44 O ATOM 0 H GLU A 43 -10.593 -16.778 6.692 1.00 42.44 H new ATOM 0 HA GLU A 43 -8.923 -15.115 5.149 1.00 50.22 H new ATOM 0 HB2 GLU A 43 -11.477 -15.091 5.405 1.00 1.13 H new ATOM 0 HB3 GLU A 43 -11.222 -14.207 6.896 1.00 1.13 H new ATOM 0 HG2 GLU A 43 -10.430 -12.303 5.808 1.00 32.10 H new ATOM 0 HG3 GLU A 43 -9.756 -13.211 4.469 1.00 32.10 H new ATOM 744 N ILE A 44 -7.941 -13.326 6.670 1.00 60.22 N ATOM 745 CA ILE A 44 -7.084 -12.531 7.532 1.00 23.32 C ATOM 746 C ILE A 44 -7.935 -11.502 8.281 1.00 4.52 C ATOM 747 O ILE A 44 -9.031 -11.160 7.840 1.00 3.42 O ATOM 748 CB ILE A 44 -5.939 -11.912 6.728 1.00 42.45 C ATOM 749 CG1 ILE A 44 -4.939 -11.211 7.648 1.00 43.41 C ATOM 750 CG2 ILE A 44 -6.474 -10.977 5.642 1.00 73.53 C ATOM 751 CD1 ILE A 44 -3.738 -10.690 6.856 1.00 33.21 C ATOM 0 H ILE A 44 -8.006 -12.993 5.708 1.00 60.22 H new ATOM 0 HA ILE A 44 -6.610 -13.162 8.283 1.00 23.32 H new ATOM 0 HB ILE A 44 -5.402 -12.716 6.224 1.00 42.45 H new ATOM 0 HG12 ILE A 44 -5.429 -10.383 8.160 1.00 43.41 H new ATOM 0 HG13 ILE A 44 -4.599 -11.904 8.417 1.00 43.41 H new ATOM 0 HG21 ILE A 44 -5.639 -10.551 5.086 1.00 73.53 H new ATOM 0 HG22 ILE A 44 -7.115 -11.538 4.962 1.00 73.53 H new ATOM 0 HG23 ILE A 44 -7.050 -10.175 6.104 1.00 73.53 H new ATOM 0 HD11 ILE A 44 -3.042 -10.196 7.534 1.00 33.21 H new ATOM 0 HD12 ILE A 44 -3.236 -11.524 6.365 1.00 33.21 H new ATOM 0 HD13 ILE A 44 -4.079 -9.979 6.104 1.00 33.21 H new ATOM 763 N ASP A 45 -7.397 -11.038 9.398 1.00 33.03 N ATOM 764 CA ASP A 45 -8.093 -10.056 10.213 1.00 71.14 C ATOM 765 C ASP A 45 -8.291 -8.774 9.400 1.00 0.43 C ATOM 766 O ASP A 45 -9.393 -8.230 9.352 1.00 74.13 O ATOM 767 CB ASP A 45 -7.284 -9.702 11.463 1.00 41.02 C ATOM 768 CG ASP A 45 -7.544 -10.596 12.676 1.00 61.43 C ATOM 769 OD1 ASP A 45 -8.697 -10.934 12.983 1.00 63.25 O ATOM 770 OD2 ASP A 45 -6.490 -10.952 13.328 1.00 2.34 O ATOM 0 H ASP A 45 -6.487 -11.323 9.759 1.00 33.03 H new ATOM 0 HA ASP A 45 -9.050 -10.484 10.513 1.00 71.14 H new ATOM 0 HB2 ASP A 45 -6.223 -9.749 11.216 1.00 41.02 H new ATOM 0 HB3 ASP A 45 -7.502 -8.670 11.738 1.00 41.02 H new ATOM 776 N LYS A 46 -7.207 -8.332 8.780 1.00 54.04 N ATOM 777 CA LYS A 46 -7.248 -7.125 7.971 1.00 51.14 C ATOM 778 C LYS A 46 -6.341 -7.304 6.750 1.00 4.32 C ATOM 779 O LYS A 46 -5.524 -8.221 6.710 1.00 25.51 O ATOM 780 CB LYS A 46 -6.902 -5.900 8.819 1.00 35.22 C ATOM 781 CG LYS A 46 -5.922 -6.264 9.937 1.00 72.31 C ATOM 782 CD LYS A 46 -4.547 -6.616 9.367 1.00 10.44 C ATOM 783 CE LYS A 46 -3.704 -7.373 10.394 1.00 5.34 C ATOM 784 NZ LYS A 46 -3.341 -6.484 11.521 1.00 3.44 N ATOM 0 H LYS A 46 -6.295 -8.787 8.821 1.00 54.04 H new ATOM 0 HA LYS A 46 -8.257 -6.951 7.597 1.00 51.14 H new ATOM 0 HB2 LYS A 46 -6.466 -5.127 8.186 1.00 35.22 H new ATOM 0 HB3 LYS A 46 -7.812 -5.483 9.250 1.00 35.22 H new ATOM 0 HG2 LYS A 46 -5.829 -5.428 10.631 1.00 72.31 H new ATOM 0 HG3 LYS A 46 -6.311 -7.109 10.506 1.00 72.31 H new ATOM 0 HD2 LYS A 46 -4.666 -7.224 8.470 1.00 10.44 H new ATOM 0 HD3 LYS A 46 -4.030 -5.705 9.068 1.00 10.44 H new ATOM 0 HE2 LYS A 46 -4.259 -8.234 10.766 1.00 5.34 H new ATOM 0 HE3 LYS A 46 -2.801 -7.757 9.920 1.00 5.34 H new ATOM 0 HZ1 LYS A 46 -2.727 -6.998 12.184 1.00 3.44 H new ATOM 0 HZ2 LYS A 46 -2.837 -5.650 11.157 1.00 3.44 H new ATOM 0 HZ3 LYS A 46 -4.204 -6.179 12.014 1.00 3.44 H new ATOM 798 N ARG A 47 -6.518 -6.411 5.788 1.00 22.33 N ATOM 799 CA ARG A 47 -5.726 -6.458 4.570 1.00 73.31 C ATOM 800 C ARG A 47 -4.773 -5.262 4.508 1.00 10.15 C ATOM 801 O ARG A 47 -5.155 -4.181 4.063 1.00 4.24 O ATOM 802 CB ARG A 47 -6.622 -6.451 3.329 1.00 1.04 C ATOM 803 CG ARG A 47 -7.416 -5.147 3.235 1.00 52.44 C ATOM 804 CD ARG A 47 -8.759 -5.371 2.538 1.00 32.42 C ATOM 805 NE ARG A 47 -8.547 -6.032 1.230 1.00 24.35 N ATOM 806 CZ ARG A 47 -9.395 -5.929 0.185 1.00 51.53 C ATOM 807 NH1 ARG A 47 -10.522 -5.193 0.287 1.00 63.21 N ATOM 808 NH2 ARG A 47 -9.107 -6.561 -0.938 1.00 1.01 N ATOM 0 H ARG A 47 -7.197 -5.651 5.827 1.00 22.33 H new ATOM 0 HA ARG A 47 -5.152 -7.384 4.585 1.00 73.31 H new ATOM 0 HB2 ARG A 47 -6.012 -6.575 2.434 1.00 1.04 H new ATOM 0 HB3 ARG A 47 -7.308 -7.297 3.366 1.00 1.04 H new ATOM 0 HG2 ARG A 47 -7.584 -4.746 4.235 1.00 52.44 H new ATOM 0 HG3 ARG A 47 -6.837 -4.404 2.687 1.00 52.44 H new ATOM 0 HD2 ARG A 47 -9.405 -5.986 3.165 1.00 32.42 H new ATOM 0 HD3 ARG A 47 -9.267 -4.417 2.395 1.00 32.42 H new ATOM 0 HE ARG A 47 -7.708 -6.600 1.111 1.00 24.35 H new ATOM 0 HH11 ARG A 47 -10.738 -4.709 1.159 1.00 63.21 H new ATOM 0 HH12 ARG A 47 -11.157 -5.120 -0.508 1.00 63.21 H new ATOM 0 HH21 ARG A 47 -8.254 -7.117 -1.006 1.00 1.01 H new ATOM 0 HH22 ARG A 47 -9.737 -6.494 -1.737 1.00 1.01 H new ATOM 822 N LYS A 48 -3.551 -5.496 4.965 1.00 32.22 N ATOM 823 CA LYS A 48 -2.542 -4.452 4.967 1.00 13.13 C ATOM 824 C LYS A 48 -1.169 -5.076 5.226 1.00 65.41 C ATOM 825 O LYS A 48 -0.991 -5.816 6.192 1.00 32.21 O ATOM 826 CB LYS A 48 -2.913 -3.350 5.962 1.00 2.52 C ATOM 827 CG LYS A 48 -1.751 -2.372 6.158 1.00 31.03 C ATOM 828 CD LYS A 48 -1.576 -1.479 4.929 1.00 5.15 C ATOM 829 CE LYS A 48 -0.955 -0.133 5.314 1.00 62.34 C ATOM 830 NZ LYS A 48 0.521 -0.219 5.298 1.00 61.43 N ATOM 0 H LYS A 48 -3.238 -6.393 5.336 1.00 32.22 H new ATOM 0 HA LYS A 48 -2.494 -3.967 3.992 1.00 13.13 H new ATOM 0 HB2 LYS A 48 -3.790 -2.811 5.603 1.00 2.52 H new ATOM 0 HB3 LYS A 48 -3.183 -3.796 6.919 1.00 2.52 H new ATOM 0 HG2 LYS A 48 -1.934 -1.755 7.038 1.00 31.03 H new ATOM 0 HG3 LYS A 48 -0.831 -2.926 6.344 1.00 31.03 H new ATOM 0 HD2 LYS A 48 -0.942 -1.980 4.198 1.00 5.15 H new ATOM 0 HD3 LYS A 48 -2.543 -1.315 4.453 1.00 5.15 H new ATOM 0 HE2 LYS A 48 -1.288 0.639 4.620 1.00 62.34 H new ATOM 0 HE3 LYS A 48 -1.297 0.161 6.306 1.00 62.34 H new ATOM 0 HZ1 LYS A 48 0.926 0.725 5.461 1.00 61.43 H new ATOM 0 HZ2 LYS A 48 0.839 -0.866 6.047 1.00 61.43 H new ATOM 0 HZ3 LYS A 48 0.838 -0.576 4.374 1.00 61.43 H new ATOM 844 N TYR A 49 -0.233 -4.754 4.346 1.00 55.14 N ATOM 845 CA TYR A 49 1.119 -5.275 4.465 1.00 61.12 C ATOM 846 C TYR A 49 2.140 -4.284 3.902 1.00 45.23 C ATOM 847 O TYR A 49 2.278 -4.154 2.686 1.00 72.34 O ATOM 848 CB TYR A 49 1.154 -6.556 3.631 1.00 0.44 C ATOM 849 CG TYR A 49 0.507 -7.762 4.316 1.00 32.21 C ATOM 850 CD1 TYR A 49 -0.866 -7.895 4.331 1.00 44.50 C ATOM 851 CD2 TYR A 49 1.299 -8.718 4.919 1.00 4.35 C ATOM 852 CE1 TYR A 49 -1.474 -9.029 4.976 1.00 10.22 C ATOM 853 CE2 TYR A 49 0.691 -9.853 5.564 1.00 40.03 C ATOM 854 CZ TYR A 49 -0.664 -9.953 5.560 1.00 11.31 C ATOM 855 OH TYR A 49 -1.239 -11.025 6.168 1.00 30.03 O ATOM 0 H TYR A 49 -0.384 -4.138 3.547 1.00 55.14 H new ATOM 0 HA TYR A 49 1.371 -5.452 5.511 1.00 61.12 H new ATOM 0 HB2 TYR A 49 0.647 -6.374 2.683 1.00 0.44 H new ATOM 0 HB3 TYR A 49 2.191 -6.797 3.397 1.00 0.44 H new ATOM 0 HD1 TYR A 49 -1.485 -7.147 3.858 1.00 44.50 H new ATOM 0 HD2 TYR A 49 2.374 -8.615 4.907 1.00 4.35 H new ATOM 0 HE1 TYR A 49 -2.548 -9.144 4.996 1.00 10.22 H new ATOM 0 HE2 TYR A 49 1.299 -10.608 6.040 1.00 40.03 H new ATOM 0 HH TYR A 49 -0.541 -11.603 6.541 1.00 30.03 H new ATOM 865 N LEU A 50 2.829 -3.612 4.811 1.00 74.33 N ATOM 866 CA LEU A 50 3.834 -2.638 4.419 1.00 43.30 C ATOM 867 C LEU A 50 5.219 -3.282 4.494 1.00 30.44 C ATOM 868 O LEU A 50 5.971 -3.038 5.438 1.00 14.21 O ATOM 869 CB LEU A 50 3.701 -1.364 5.257 1.00 73.54 C ATOM 870 CG LEU A 50 4.681 -0.237 4.923 1.00 22.24 C ATOM 871 CD1 LEU A 50 4.729 0.021 3.417 1.00 24.21 C ATOM 872 CD2 LEU A 50 4.345 1.032 5.711 1.00 4.24 C ATOM 0 H LEU A 50 2.712 -3.722 5.818 1.00 74.33 H new ATOM 0 HA LEU A 50 3.682 -2.329 3.385 1.00 43.30 H new ATOM 0 HB2 LEU A 50 2.686 -0.982 5.143 1.00 73.54 H new ATOM 0 HB3 LEU A 50 3.826 -1.629 6.307 1.00 73.54 H new ATOM 0 HG LEU A 50 5.679 -0.552 5.227 1.00 22.24 H new ATOM 0 HD11 LEU A 50 5.433 0.826 3.208 1.00 24.21 H new ATOM 0 HD12 LEU A 50 5.051 -0.885 2.903 1.00 24.21 H new ATOM 0 HD13 LEU A 50 3.737 0.305 3.065 1.00 24.21 H new ATOM 0 HD21 LEU A 50 5.056 1.818 5.456 1.00 4.24 H new ATOM 0 HD22 LEU A 50 3.336 1.360 5.460 1.00 4.24 H new ATOM 0 HD23 LEU A 50 4.403 0.823 6.779 1.00 4.24 H new ATOM 884 N VAL A 51 5.517 -4.090 3.488 1.00 34.04 N ATOM 885 CA VAL A 51 6.798 -4.772 3.429 1.00 63.40 C ATOM 886 C VAL A 51 7.850 -3.821 2.851 1.00 40.31 C ATOM 887 O VAL A 51 7.512 -2.864 2.157 1.00 53.13 O ATOM 888 CB VAL A 51 6.665 -6.070 2.632 1.00 5.34 C ATOM 889 CG1 VAL A 51 5.744 -7.060 3.348 1.00 22.24 C ATOM 890 CG2 VAL A 51 6.172 -5.792 1.210 1.00 42.33 C ATOM 0 H VAL A 51 4.892 -4.288 2.706 1.00 34.04 H new ATOM 0 HA VAL A 51 7.127 -5.054 4.429 1.00 63.40 H new ATOM 0 HB VAL A 51 7.654 -6.523 2.561 1.00 5.34 H new ATOM 0 HG11 VAL A 51 5.666 -7.975 2.761 1.00 22.24 H new ATOM 0 HG12 VAL A 51 6.154 -7.293 4.330 1.00 22.24 H new ATOM 0 HG13 VAL A 51 4.754 -6.618 3.464 1.00 22.24 H new ATOM 0 HG21 VAL A 51 6.086 -6.732 0.664 1.00 42.33 H new ATOM 0 HG22 VAL A 51 5.197 -5.306 1.251 1.00 42.33 H new ATOM 0 HG23 VAL A 51 6.881 -5.140 0.700 1.00 42.33 H new ATOM 900 N PRO A 52 9.137 -4.127 3.166 1.00 31.35 N ATOM 901 CA PRO A 52 10.239 -3.311 2.687 1.00 52.22 C ATOM 902 C PRO A 52 10.506 -3.568 1.202 1.00 45.42 C ATOM 903 O PRO A 52 9.865 -4.422 0.591 1.00 24.12 O ATOM 904 CB PRO A 52 11.416 -3.679 3.575 1.00 72.44 C ATOM 905 CG PRO A 52 11.060 -5.013 4.207 1.00 72.05 C ATOM 906 CD PRO A 52 9.574 -5.253 3.986 1.00 62.34 C ATOM 0 HA PRO A 52 10.030 -2.243 2.749 1.00 52.22 H new ATOM 0 HB2 PRO A 52 12.335 -3.755 2.994 1.00 72.44 H new ATOM 0 HB3 PRO A 52 11.583 -2.918 4.337 1.00 72.44 H new ATOM 0 HG2 PRO A 52 11.647 -5.816 3.760 1.00 72.05 H new ATOM 0 HG3 PRO A 52 11.291 -5.004 5.272 1.00 72.05 H new ATOM 0 HD2 PRO A 52 9.397 -6.203 3.482 1.00 62.34 H new ATOM 0 HD3 PRO A 52 9.033 -5.288 4.932 1.00 62.34 H new ATOM 914 N ALA A 53 11.454 -2.814 0.665 1.00 53.20 N ATOM 915 CA ALA A 53 11.812 -2.949 -0.736 1.00 13.10 C ATOM 916 C ALA A 53 12.918 -3.996 -0.876 1.00 64.41 C ATOM 917 O ALA A 53 13.608 -4.045 -1.894 1.00 65.24 O ATOM 918 CB ALA A 53 12.228 -1.585 -1.292 1.00 72.45 C ATOM 0 H ALA A 53 11.985 -2.108 1.175 1.00 53.20 H new ATOM 0 HA ALA A 53 10.957 -3.291 -1.319 1.00 13.10 H new ATOM 0 HB1 ALA A 53 12.497 -1.687 -2.343 1.00 72.45 H new ATOM 0 HB2 ALA A 53 11.398 -0.884 -1.196 1.00 72.45 H new ATOM 0 HB3 ALA A 53 13.086 -1.211 -0.733 1.00 72.45 H new ATOM 924 N ASP A 54 13.053 -4.810 0.161 1.00 11.31 N ATOM 925 CA ASP A 54 14.063 -5.853 0.168 1.00 24.43 C ATOM 926 C ASP A 54 13.380 -7.220 0.246 1.00 24.43 C ATOM 927 O ASP A 54 13.823 -8.178 -0.385 1.00 72.41 O ATOM 928 CB ASP A 54 14.988 -5.719 1.378 1.00 32.13 C ATOM 929 CG ASP A 54 15.771 -4.404 1.450 1.00 4.14 C ATOM 930 OD1 ASP A 54 15.196 -3.312 1.330 1.00 20.21 O ATOM 931 OD2 ASP A 54 17.039 -4.535 1.644 1.00 61.44 O ATOM 0 H ASP A 54 12.479 -4.767 1.003 1.00 11.31 H new ATOM 0 HA ASP A 54 14.649 -5.758 -0.746 1.00 24.43 H new ATOM 0 HB2 ASP A 54 14.392 -5.820 2.285 1.00 32.13 H new ATOM 0 HB3 ASP A 54 15.697 -6.547 1.368 1.00 32.13 H new ATOM 937 N LEU A 55 12.310 -7.266 1.026 1.00 53.33 N ATOM 938 CA LEU A 55 11.559 -8.499 1.196 1.00 33.10 C ATOM 939 C LEU A 55 11.107 -9.008 -0.174 1.00 55.22 C ATOM 940 O LEU A 55 10.632 -8.233 -1.003 1.00 73.35 O ATOM 941 CB LEU A 55 10.411 -8.295 2.186 1.00 22.25 C ATOM 942 CG LEU A 55 9.906 -9.553 2.896 1.00 42.04 C ATOM 943 CD1 LEU A 55 10.300 -9.543 4.374 1.00 33.21 C ATOM 944 CD2 LEU A 55 8.397 -9.721 2.705 1.00 41.11 C ATOM 0 H LEU A 55 11.945 -6.469 1.548 1.00 53.33 H new ATOM 0 HA LEU A 55 12.191 -9.273 1.632 1.00 33.10 H new ATOM 0 HB2 LEU A 55 10.733 -7.579 2.943 1.00 22.25 H new ATOM 0 HB3 LEU A 55 9.575 -7.842 1.654 1.00 22.25 H new ATOM 0 HG LEU A 55 10.386 -10.419 2.441 1.00 42.04 H new ATOM 0 HD11 LEU A 55 9.929 -10.448 4.856 1.00 33.21 H new ATOM 0 HD12 LEU A 55 11.386 -9.505 4.461 1.00 33.21 H new ATOM 0 HD13 LEU A 55 9.866 -8.669 4.860 1.00 33.21 H new ATOM 0 HD21 LEU A 55 8.063 -10.622 3.219 1.00 41.11 H new ATOM 0 HD22 LEU A 55 7.879 -8.855 3.118 1.00 41.11 H new ATOM 0 HD23 LEU A 55 8.172 -9.806 1.642 1.00 41.11 H new ATOM 956 N THR A 56 11.272 -10.308 -0.370 1.00 33.54 N ATOM 957 CA THR A 56 10.887 -10.930 -1.625 1.00 20.24 C ATOM 958 C THR A 56 9.478 -11.518 -1.519 1.00 22.22 C ATOM 959 O THR A 56 8.914 -11.595 -0.429 1.00 33.44 O ATOM 960 CB THR A 56 11.952 -11.968 -1.986 1.00 3.12 C ATOM 961 OG1 THR A 56 11.658 -13.075 -1.139 1.00 4.55 O ATOM 962 CG2 THR A 56 13.357 -11.537 -1.560 1.00 24.15 C ATOM 0 H THR A 56 11.667 -10.947 0.319 1.00 33.54 H new ATOM 0 HA THR A 56 10.840 -10.197 -2.431 1.00 20.24 H new ATOM 0 HB THR A 56 11.937 -12.145 -3.061 1.00 3.12 H new ATOM 0 HG1 THR A 56 12.192 -13.849 -1.415 1.00 4.55 H new ATOM 0 HG21 THR A 56 14.075 -12.308 -1.839 1.00 24.15 H new ATOM 0 HG22 THR A 56 13.617 -10.602 -2.057 1.00 24.15 H new ATOM 0 HG23 THR A 56 13.381 -11.393 -0.480 1.00 24.15 H new ATOM 970 N VAL A 57 8.950 -11.917 -2.667 1.00 60.44 N ATOM 971 CA VAL A 57 7.618 -12.495 -2.717 1.00 24.01 C ATOM 972 C VAL A 57 7.579 -13.751 -1.845 1.00 24.23 C ATOM 973 O VAL A 57 6.667 -13.924 -1.039 1.00 23.23 O ATOM 974 CB VAL A 57 7.219 -12.765 -4.170 1.00 35.30 C ATOM 975 CG1 VAL A 57 6.234 -13.931 -4.261 1.00 34.23 C ATOM 976 CG2 VAL A 57 6.640 -11.506 -4.821 1.00 3.30 C ATOM 0 H VAL A 57 9.421 -11.851 -3.570 1.00 60.44 H new ATOM 0 HA VAL A 57 6.884 -11.797 -2.316 1.00 24.01 H new ATOM 0 HB VAL A 57 8.119 -13.044 -4.719 1.00 35.30 H new ATOM 0 HG11 VAL A 57 5.967 -14.101 -5.304 1.00 34.23 H new ATOM 0 HG12 VAL A 57 6.696 -14.830 -3.853 1.00 34.23 H new ATOM 0 HG13 VAL A 57 5.336 -13.694 -3.691 1.00 34.23 H new ATOM 0 HG21 VAL A 57 6.364 -11.724 -5.853 1.00 3.30 H new ATOM 0 HG22 VAL A 57 5.757 -11.185 -4.269 1.00 3.30 H new ATOM 0 HG23 VAL A 57 7.386 -10.712 -4.805 1.00 3.30 H new ATOM 986 N GLY A 58 8.581 -14.597 -2.036 1.00 11.12 N ATOM 987 CA GLY A 58 8.673 -15.833 -1.276 1.00 42.23 C ATOM 988 C GLY A 58 8.795 -15.547 0.223 1.00 73.23 C ATOM 989 O GLY A 58 8.335 -16.335 1.048 1.00 60.02 O ATOM 0 H GLY A 58 9.336 -14.451 -2.706 1.00 11.12 H new ATOM 0 HA2 GLY A 58 7.791 -16.445 -1.462 1.00 42.23 H new ATOM 0 HA3 GLY A 58 9.536 -16.407 -1.612 1.00 42.23 H new ATOM 993 N GLN A 59 9.417 -14.417 0.529 1.00 64.11 N ATOM 994 CA GLN A 59 9.605 -14.018 1.913 1.00 61.51 C ATOM 995 C GLN A 59 8.342 -13.339 2.445 1.00 64.21 C ATOM 996 O GLN A 59 8.133 -13.273 3.656 1.00 44.31 O ATOM 997 CB GLN A 59 10.823 -13.104 2.059 1.00 30.41 C ATOM 998 CG GLN A 59 12.122 -13.883 1.846 1.00 65.32 C ATOM 999 CD GLN A 59 13.264 -13.279 2.668 1.00 74.31 C ATOM 1000 OE1 GLN A 59 13.964 -13.961 3.400 1.00 74.53 O ATOM 1001 NE2 GLN A 59 13.411 -11.968 2.509 1.00 1.14 N ATOM 0 H GLN A 59 9.797 -13.766 -0.158 1.00 64.11 H new ATOM 0 HA GLN A 59 9.791 -14.913 2.507 1.00 61.51 H new ATOM 0 HB2 GLN A 59 10.760 -12.290 1.336 1.00 30.41 H new ATOM 0 HB3 GLN A 59 10.825 -12.651 3.050 1.00 30.41 H new ATOM 0 HG2 GLN A 59 11.976 -14.925 2.130 1.00 65.32 H new ATOM 0 HG3 GLN A 59 12.386 -13.875 0.789 1.00 65.32 H new ATOM 0 HE21 GLN A 59 12.791 -11.458 1.880 1.00 1.14 H new ATOM 0 HE22 GLN A 59 14.144 -11.472 3.015 1.00 1.14 H new ATOM 1010 N PHE A 60 7.534 -12.851 1.517 1.00 0.21 N ATOM 1011 CA PHE A 60 6.297 -12.179 1.877 1.00 52.15 C ATOM 1012 C PHE A 60 5.226 -13.190 2.293 1.00 43.15 C ATOM 1013 O PHE A 60 4.501 -12.968 3.263 1.00 50.40 O ATOM 1014 CB PHE A 60 5.818 -11.428 0.636 1.00 50.40 C ATOM 1015 CG PHE A 60 4.490 -10.691 0.827 1.00 73.03 C ATOM 1016 CD1 PHE A 60 4.296 -9.915 1.927 1.00 51.21 C ATOM 1017 CD2 PHE A 60 3.504 -10.811 -0.102 1.00 61.34 C ATOM 1018 CE1 PHE A 60 3.064 -9.232 2.106 1.00 1.22 C ATOM 1019 CE2 PHE A 60 2.272 -10.128 0.077 1.00 62.21 C ATOM 1020 CZ PHE A 60 2.079 -9.353 1.177 1.00 23.01 C ATOM 0 H PHE A 60 7.712 -12.907 0.514 1.00 0.21 H new ATOM 0 HA PHE A 60 6.470 -11.506 2.717 1.00 52.15 H new ATOM 0 HB2 PHE A 60 6.582 -10.708 0.342 1.00 50.40 H new ATOM 0 HB3 PHE A 60 5.714 -12.136 -0.186 1.00 50.40 H new ATOM 0 HD1 PHE A 60 5.079 -9.818 2.664 1.00 51.21 H new ATOM 0 HD2 PHE A 60 3.658 -11.426 -0.976 1.00 61.34 H new ATOM 0 HE1 PHE A 60 2.910 -8.617 2.980 1.00 1.22 H new ATOM 0 HE2 PHE A 60 1.489 -10.224 -0.660 1.00 62.21 H new ATOM 0 HZ PHE A 60 1.142 -8.833 1.313 1.00 23.01 H new ATOM 1030 N VAL A 61 5.159 -14.278 1.540 1.00 32.35 N ATOM 1031 CA VAL A 61 4.188 -15.322 1.818 1.00 5.44 C ATOM 1032 C VAL A 61 4.288 -15.727 3.290 1.00 71.34 C ATOM 1033 O VAL A 61 3.275 -15.996 3.933 1.00 5.54 O ATOM 1034 CB VAL A 61 4.394 -16.496 0.860 1.00 43.14 C ATOM 1035 CG1 VAL A 61 3.589 -17.718 1.308 1.00 42.22 C ATOM 1036 CG2 VAL A 61 4.041 -16.102 -0.576 1.00 73.01 C ATOM 0 H VAL A 61 5.762 -14.459 0.737 1.00 32.35 H new ATOM 0 HA VAL A 61 3.175 -14.956 1.650 1.00 5.44 H new ATOM 0 HB VAL A 61 5.450 -16.765 0.883 1.00 43.14 H new ATOM 0 HG11 VAL A 61 3.754 -18.538 0.609 1.00 42.22 H new ATOM 0 HG12 VAL A 61 3.911 -18.020 2.305 1.00 42.22 H new ATOM 0 HG13 VAL A 61 2.528 -17.467 1.330 1.00 42.22 H new ATOM 0 HG21 VAL A 61 4.197 -16.955 -1.236 1.00 73.01 H new ATOM 0 HG22 VAL A 61 2.997 -15.793 -0.622 1.00 73.01 H new ATOM 0 HG23 VAL A 61 4.678 -15.277 -0.894 1.00 73.01 H new ATOM 1046 N TYR A 62 5.519 -15.757 3.780 1.00 14.20 N ATOM 1047 CA TYR A 62 5.765 -16.125 5.164 1.00 74.54 C ATOM 1048 C TYR A 62 4.958 -15.241 6.117 1.00 34.14 C ATOM 1049 O TYR A 62 4.441 -15.720 7.126 1.00 35.32 O ATOM 1050 CB TYR A 62 7.256 -15.886 5.405 1.00 44.14 C ATOM 1051 CG TYR A 62 7.595 -15.456 6.834 1.00 45.10 C ATOM 1052 CD1 TYR A 62 7.226 -16.252 7.899 1.00 22.21 C ATOM 1053 CD2 TYR A 62 8.268 -14.273 7.057 1.00 62.34 C ATOM 1054 CE1 TYR A 62 7.543 -15.848 9.245 1.00 24.10 C ATOM 1055 CE2 TYR A 62 8.587 -13.868 8.403 1.00 24.35 C ATOM 1056 CZ TYR A 62 8.208 -14.676 9.430 1.00 2.21 C ATOM 1057 OH TYR A 62 8.509 -14.293 10.699 1.00 63.13 O ATOM 0 H TYR A 62 6.357 -15.532 3.243 1.00 14.20 H new ATOM 0 HA TYR A 62 5.473 -17.160 5.344 1.00 74.54 H new ATOM 0 HB2 TYR A 62 7.802 -16.800 5.173 1.00 44.14 H new ATOM 0 HB3 TYR A 62 7.607 -15.120 4.713 1.00 44.14 H new ATOM 0 HD1 TYR A 62 6.699 -17.178 7.723 1.00 22.21 H new ATOM 0 HD2 TYR A 62 8.556 -13.650 6.223 1.00 62.34 H new ATOM 0 HE1 TYR A 62 7.259 -16.461 10.087 1.00 24.10 H new ATOM 0 HE2 TYR A 62 9.115 -12.945 8.592 1.00 24.35 H new ATOM 0 HH TYR A 62 8.985 -13.437 10.678 1.00 63.13 H new ATOM 1067 N VAL A 63 4.875 -13.966 5.764 1.00 52.24 N ATOM 1068 CA VAL A 63 4.139 -13.012 6.576 1.00 35.03 C ATOM 1069 C VAL A 63 2.655 -13.383 6.572 1.00 4.02 C ATOM 1070 O VAL A 63 1.978 -13.259 7.592 1.00 23.34 O ATOM 1071 CB VAL A 63 4.401 -11.589 6.077 1.00 11.21 C ATOM 1072 CG1 VAL A 63 3.634 -10.564 6.914 1.00 65.32 C ATOM 1073 CG2 VAL A 63 5.900 -11.279 6.068 1.00 44.31 C ATOM 0 H VAL A 63 5.305 -13.572 4.927 1.00 52.24 H new ATOM 0 HA VAL A 63 4.480 -13.048 7.611 1.00 35.03 H new ATOM 0 HB VAL A 63 4.038 -11.522 5.051 1.00 11.21 H new ATOM 0 HG11 VAL A 63 3.838 -9.561 6.538 1.00 65.32 H new ATOM 0 HG12 VAL A 63 2.565 -10.766 6.847 1.00 65.32 H new ATOM 0 HG13 VAL A 63 3.952 -10.633 7.954 1.00 65.32 H new ATOM 0 HG21 VAL A 63 6.059 -10.262 5.709 1.00 44.31 H new ATOM 0 HG22 VAL A 63 6.297 -11.374 7.079 1.00 44.31 H new ATOM 0 HG23 VAL A 63 6.413 -11.980 5.410 1.00 44.31 H new ATOM 1083 N ILE A 64 2.192 -13.829 5.414 1.00 25.51 N ATOM 1084 CA ILE A 64 0.800 -14.220 5.264 1.00 30.30 C ATOM 1085 C ILE A 64 0.543 -15.496 6.065 1.00 3.31 C ATOM 1086 O ILE A 64 -0.503 -15.638 6.696 1.00 53.34 O ATOM 1087 CB ILE A 64 0.433 -14.338 3.783 1.00 74.05 C ATOM 1088 CG1 ILE A 64 1.026 -13.181 2.978 1.00 52.44 C ATOM 1089 CG2 ILE A 64 -1.082 -14.449 3.600 1.00 22.42 C ATOM 1090 CD1 ILE A 64 0.764 -11.840 3.669 1.00 35.01 C ATOM 0 H ILE A 64 2.756 -13.929 4.570 1.00 25.51 H new ATOM 0 HA ILE A 64 0.143 -13.451 5.671 1.00 30.30 H new ATOM 0 HB ILE A 64 0.871 -15.257 3.394 1.00 74.05 H new ATOM 0 HG12 ILE A 64 2.099 -13.329 2.859 1.00 52.44 H new ATOM 0 HG13 ILE A 64 0.593 -13.170 1.978 1.00 52.44 H new ATOM 0 HG21 ILE A 64 -1.315 -14.532 2.538 1.00 22.42 H new ATOM 0 HG22 ILE A 64 -1.448 -15.333 4.122 1.00 22.42 H new ATOM 0 HG23 ILE A 64 -1.564 -13.561 4.009 1.00 22.42 H new ATOM 0 HD11 ILE A 64 1.196 -11.034 3.076 1.00 35.01 H new ATOM 0 HD12 ILE A 64 -0.310 -11.684 3.765 1.00 35.01 H new ATOM 0 HD13 ILE A 64 1.220 -11.846 4.659 1.00 35.01 H new ATOM 1102 N ARG A 65 1.516 -16.395 6.015 1.00 63.25 N ATOM 1103 CA ARG A 65 1.409 -17.655 6.729 1.00 61.31 C ATOM 1104 C ARG A 65 1.574 -17.431 8.232 1.00 12.01 C ATOM 1105 O ARG A 65 1.448 -18.365 9.022 1.00 41.52 O ATOM 1106 CB ARG A 65 2.466 -18.653 6.250 1.00 31.34 C ATOM 1107 CG ARG A 65 1.995 -20.092 6.456 1.00 61.42 C ATOM 1108 CD ARG A 65 1.261 -20.612 5.218 1.00 12.15 C ATOM 1109 NE ARG A 65 2.076 -20.369 4.007 1.00 42.22 N ATOM 1110 CZ ARG A 65 2.999 -21.232 3.530 1.00 13.14 C ATOM 1111 NH1 ARG A 65 3.233 -22.402 4.161 1.00 33.44 N ATOM 1112 NH2 ARG A 65 3.670 -20.912 2.440 1.00 34.13 N ATOM 0 H ARG A 65 2.382 -16.275 5.490 1.00 63.25 H new ATOM 0 HA ARG A 65 0.420 -18.066 6.526 1.00 61.31 H new ATOM 0 HB2 ARG A 65 2.679 -18.484 5.194 1.00 31.34 H new ATOM 0 HB3 ARG A 65 3.397 -18.490 6.793 1.00 31.34 H new ATOM 0 HG2 ARG A 65 2.851 -20.731 6.671 1.00 61.42 H new ATOM 0 HG3 ARG A 65 1.335 -20.142 7.322 1.00 61.42 H new ATOM 0 HD2 ARG A 65 1.062 -21.678 5.324 1.00 12.15 H new ATOM 0 HD3 ARG A 65 0.295 -20.115 5.122 1.00 12.15 H new ATOM 0 HE ARG A 65 1.932 -19.495 3.501 1.00 42.22 H new ATOM 0 HH11 ARG A 65 2.711 -22.640 5.004 1.00 33.44 H new ATOM 0 HH12 ARG A 65 3.932 -23.048 3.794 1.00 33.44 H new ATOM 0 HH21 ARG A 65 3.488 -20.025 1.971 1.00 34.13 H new ATOM 0 HH22 ARG A 65 4.371 -21.552 2.066 1.00 34.13 H new ATOM 1126 N LYS A 66 1.855 -16.184 8.585 1.00 55.44 N ATOM 1127 CA LYS A 66 2.041 -15.824 9.980 1.00 1.33 C ATOM 1128 C LYS A 66 0.715 -15.315 10.551 1.00 70.51 C ATOM 1129 O LYS A 66 0.344 -15.663 11.670 1.00 24.42 O ATOM 1130 CB LYS A 66 3.195 -14.832 10.128 1.00 12.24 C ATOM 1131 CG LYS A 66 4.492 -15.551 10.503 1.00 14.13 C ATOM 1132 CD LYS A 66 5.334 -14.705 11.460 1.00 31.51 C ATOM 1133 CE LYS A 66 5.570 -13.305 10.890 1.00 71.45 C ATOM 1134 NZ LYS A 66 5.472 -12.286 11.960 1.00 62.23 N ATOM 0 H LYS A 66 1.958 -15.411 7.928 1.00 55.44 H new ATOM 0 HA LYS A 66 2.326 -16.698 10.565 1.00 1.33 H new ATOM 0 HB2 LYS A 66 3.334 -14.288 9.194 1.00 12.24 H new ATOM 0 HB3 LYS A 66 2.950 -14.095 10.892 1.00 12.24 H new ATOM 0 HG2 LYS A 66 4.259 -16.509 10.968 1.00 14.13 H new ATOM 0 HG3 LYS A 66 5.066 -15.766 9.602 1.00 14.13 H new ATOM 0 HD2 LYS A 66 4.830 -14.629 12.424 1.00 31.51 H new ATOM 0 HD3 LYS A 66 6.291 -15.195 11.638 1.00 31.51 H new ATOM 0 HE2 LYS A 66 6.554 -13.257 10.423 1.00 71.45 H new ATOM 0 HE3 LYS A 66 4.837 -13.095 10.111 1.00 71.45 H new ATOM 0 HZ1 LYS A 66 5.635 -11.342 11.556 1.00 62.23 H new ATOM 0 HZ2 LYS A 66 4.524 -12.321 12.387 1.00 62.23 H new ATOM 0 HZ3 LYS A 66 6.188 -12.479 12.689 1.00 62.23 H new ATOM 1148 N ARG A 67 0.040 -14.499 9.755 1.00 1.25 N ATOM 1149 CA ARG A 67 -1.235 -13.939 10.168 1.00 11.04 C ATOM 1150 C ARG A 67 -2.246 -15.058 10.432 1.00 10.11 C ATOM 1151 O ARG A 67 -3.057 -14.960 11.352 1.00 74.15 O ATOM 1152 CB ARG A 67 -1.797 -12.999 9.097 1.00 53.20 C ATOM 1153 CG ARG A 67 -1.434 -11.545 9.402 1.00 23.03 C ATOM 1154 CD ARG A 67 -2.549 -10.856 10.191 1.00 34.01 C ATOM 1155 NE ARG A 67 -2.250 -10.906 11.639 1.00 70.52 N ATOM 1156 CZ ARG A 67 -1.427 -10.045 12.272 1.00 73.13 C ATOM 1157 NH1 ARG A 67 -0.809 -9.057 11.589 1.00 21.20 N ATOM 1158 NH2 ARG A 67 -1.231 -10.184 13.571 1.00 2.44 N ATOM 0 H ARG A 67 0.352 -14.213 8.827 1.00 1.25 H new ATOM 0 HA ARG A 67 -1.066 -13.372 11.083 1.00 11.04 H new ATOM 0 HB2 ARG A 67 -1.404 -13.279 8.120 1.00 53.20 H new ATOM 0 HB3 ARG A 67 -2.881 -13.105 9.047 1.00 53.20 H new ATOM 0 HG2 ARG A 67 -0.505 -11.510 9.972 1.00 23.03 H new ATOM 0 HG3 ARG A 67 -1.257 -11.007 8.470 1.00 23.03 H new ATOM 0 HD2 ARG A 67 -2.648 -9.820 9.867 1.00 34.01 H new ATOM 0 HD3 ARG A 67 -3.503 -11.345 9.991 1.00 34.01 H new ATOM 0 HE ARG A 67 -2.694 -11.638 12.194 1.00 70.52 H new ATOM 0 HH11 ARG A 67 -0.963 -8.957 10.586 1.00 21.20 H new ATOM 0 HH12 ARG A 67 -0.188 -8.411 12.077 1.00 21.20 H new ATOM 0 HH21 ARG A 67 -1.699 -10.934 14.080 1.00 2.44 H new ATOM 0 HH22 ARG A 67 -0.612 -9.541 14.065 1.00 2.44 H new ATOM 1172 N ILE A 68 -2.164 -16.093 9.610 1.00 74.21 N ATOM 1173 CA ILE A 68 -3.060 -17.228 9.745 1.00 51.02 C ATOM 1174 C ILE A 68 -2.296 -18.408 10.351 1.00 1.12 C ATOM 1175 O ILE A 68 -2.841 -19.502 10.487 1.00 65.40 O ATOM 1176 CB ILE A 68 -3.724 -17.549 8.404 1.00 43.40 C ATOM 1177 CG1 ILE A 68 -2.758 -17.305 7.243 1.00 54.02 C ATOM 1178 CG2 ILE A 68 -5.030 -16.770 8.238 1.00 43.10 C ATOM 1179 CD1 ILE A 68 -3.300 -17.905 5.943 1.00 64.50 C ATOM 0 H ILE A 68 -1.491 -16.169 8.848 1.00 74.21 H new ATOM 0 HA ILE A 68 -3.874 -16.990 10.429 1.00 51.02 H new ATOM 0 HB ILE A 68 -3.979 -18.609 8.393 1.00 43.40 H new ATOM 0 HG12 ILE A 68 -2.600 -16.234 7.115 1.00 54.02 H new ATOM 0 HG13 ILE A 68 -1.788 -17.745 7.474 1.00 54.02 H new ATOM 0 HG21 ILE A 68 -5.481 -17.017 7.277 1.00 43.10 H new ATOM 0 HG22 ILE A 68 -5.717 -17.037 9.041 1.00 43.10 H new ATOM 0 HG23 ILE A 68 -4.823 -15.701 8.278 1.00 43.10 H new ATOM 0 HD11 ILE A 68 -2.594 -17.717 5.134 1.00 64.50 H new ATOM 0 HD12 ILE A 68 -3.434 -18.980 6.066 1.00 64.50 H new ATOM 0 HD13 ILE A 68 -4.259 -17.446 5.702 1.00 64.50 H new ATOM 1191 N MET A 69 -1.045 -18.144 10.698 1.00 12.12 N ATOM 1192 CA MET A 69 -0.200 -19.170 11.286 1.00 64.34 C ATOM 1193 C MET A 69 -0.465 -20.533 10.644 1.00 52.33 C ATOM 1194 O MET A 69 -0.374 -21.564 11.309 1.00 32.01 O ATOM 1195 CB MET A 69 -0.469 -19.253 12.790 1.00 12.53 C ATOM 1196 CG MET A 69 -1.905 -19.706 13.066 1.00 10.21 C ATOM 1197 SD MET A 69 -2.110 -20.061 14.804 1.00 12.40 S ATOM 1198 CE MET A 69 -3.247 -18.759 15.253 1.00 45.12 C ATOM 0 H MET A 69 -0.596 -17.235 10.583 1.00 12.12 H new ATOM 0 HA MET A 69 0.842 -18.902 11.108 1.00 64.34 H new ATOM 0 HB2 MET A 69 0.231 -19.950 13.250 1.00 12.53 H new ATOM 0 HB3 MET A 69 -0.297 -18.279 13.248 1.00 12.53 H new ATOM 0 HG2 MET A 69 -2.605 -18.929 12.760 1.00 10.21 H new ATOM 0 HG3 MET A 69 -2.135 -20.593 12.476 1.00 10.21 H new ATOM 0 HE1 MET A 69 -3.484 -18.833 16.314 1.00 45.12 H new ATOM 0 HE2 MET A 69 -2.790 -17.791 15.049 1.00 45.12 H new ATOM 0 HE3 MET A 69 -4.162 -18.858 14.670 1.00 45.12 H new ATOM 1208 N LEU A 70 -0.785 -20.494 9.359 1.00 62.43 N ATOM 1209 CA LEU A 70 -1.063 -21.713 8.620 1.00 10.14 C ATOM 1210 C LEU A 70 0.115 -22.678 8.775 1.00 2.25 C ATOM 1211 O LEU A 70 1.271 -22.258 8.759 1.00 31.43 O ATOM 1212 CB LEU A 70 -1.407 -21.390 7.165 1.00 61.22 C ATOM 1213 CG LEU A 70 -2.526 -22.224 6.540 1.00 11.33 C ATOM 1214 CD1 LEU A 70 -3.725 -22.330 7.483 1.00 30.12 C ATOM 1215 CD2 LEU A 70 -2.924 -21.669 5.169 1.00 2.24 C ATOM 0 H LEU A 70 -0.858 -19.637 8.811 1.00 62.43 H new ATOM 0 HA LEU A 70 -1.941 -22.214 9.027 1.00 10.14 H new ATOM 0 HB2 LEU A 70 -1.687 -20.338 7.103 1.00 61.22 H new ATOM 0 HB3 LEU A 70 -0.507 -21.516 6.563 1.00 61.22 H new ATOM 0 HG LEU A 70 -2.150 -23.235 6.383 1.00 11.33 H new ATOM 0 HD11 LEU A 70 -4.506 -22.928 7.013 1.00 30.12 H new ATOM 0 HD12 LEU A 70 -3.415 -22.805 8.414 1.00 30.12 H new ATOM 0 HD13 LEU A 70 -4.110 -21.333 7.695 1.00 30.12 H new ATOM 0 HD21 LEU A 70 -3.721 -22.280 4.747 1.00 2.24 H new ATOM 0 HD22 LEU A 70 -3.274 -20.642 5.280 1.00 2.24 H new ATOM 0 HD23 LEU A 70 -2.061 -21.689 4.504 1.00 2.24 H new ATOM 1227 N PRO A 71 -0.229 -23.985 8.924 1.00 43.24 N ATOM 1228 CA PRO A 71 0.786 -25.013 9.080 1.00 13.55 C ATOM 1229 C PRO A 71 1.476 -25.310 7.747 1.00 75.31 C ATOM 1230 O PRO A 71 1.042 -24.833 6.700 1.00 21.12 O ATOM 1231 CB PRO A 71 0.045 -26.213 9.647 1.00 61.24 C ATOM 1232 CG PRO A 71 -1.426 -25.973 9.351 1.00 24.13 C ATOM 1233 CD PRO A 71 -1.588 -24.518 8.945 1.00 33.31 C ATOM 0 HA PRO A 71 1.594 -24.710 9.746 1.00 13.55 H new ATOM 0 HB2 PRO A 71 0.390 -27.138 9.186 1.00 61.24 H new ATOM 0 HB3 PRO A 71 0.217 -26.307 10.719 1.00 61.24 H new ATOM 0 HG2 PRO A 71 -1.767 -26.632 8.553 1.00 24.13 H new ATOM 0 HG3 PRO A 71 -2.033 -26.194 10.229 1.00 24.13 H new ATOM 0 HD2 PRO A 71 -2.063 -24.430 7.968 1.00 33.31 H new ATOM 0 HD3 PRO A 71 -2.215 -23.977 9.654 1.00 33.31 H new ATOM 1241 N PRO A 72 2.568 -26.117 7.833 1.00 11.43 N ATOM 1242 CA PRO A 72 3.322 -26.484 6.647 1.00 73.31 C ATOM 1243 C PRO A 72 2.571 -27.530 5.820 1.00 14.34 C ATOM 1244 O PRO A 72 3.034 -27.935 4.756 1.00 14.13 O ATOM 1245 CB PRO A 72 4.657 -26.987 7.169 1.00 1.11 C ATOM 1246 CG PRO A 72 4.432 -27.321 8.634 1.00 12.50 C ATOM 1247 CD PRO A 72 3.111 -26.699 9.057 1.00 2.00 C ATOM 0 HA PRO A 72 3.466 -25.646 5.965 1.00 73.31 H new ATOM 0 HB2 PRO A 72 4.987 -27.865 6.614 1.00 1.11 H new ATOM 0 HB3 PRO A 72 5.432 -26.229 7.056 1.00 1.11 H new ATOM 0 HG2 PRO A 72 4.409 -28.401 8.780 1.00 12.50 H new ATOM 0 HG3 PRO A 72 5.249 -26.934 9.243 1.00 12.50 H new ATOM 0 HD2 PRO A 72 2.436 -27.447 9.473 1.00 2.00 H new ATOM 0 HD3 PRO A 72 3.258 -25.940 9.825 1.00 2.00 H new ATOM 1255 N GLU A 73 1.422 -27.936 6.342 1.00 4.32 N ATOM 1256 CA GLU A 73 0.602 -28.926 5.666 1.00 33.04 C ATOM 1257 C GLU A 73 -0.351 -28.244 4.682 1.00 15.04 C ATOM 1258 O GLU A 73 -1.162 -28.907 4.037 1.00 75.11 O ATOM 1259 CB GLU A 73 -0.169 -29.780 6.674 1.00 51.24 C ATOM 1260 CG GLU A 73 -1.261 -28.960 7.365 1.00 33.54 C ATOM 1261 CD GLU A 73 -2.333 -29.872 7.966 1.00 53.33 C ATOM 1262 OE1 GLU A 73 -2.304 -31.092 7.748 1.00 25.23 O ATOM 1263 OE2 GLU A 73 -3.221 -29.269 8.683 1.00 11.00 O ATOM 0 H GLU A 73 1.040 -27.597 7.225 1.00 4.32 H new ATOM 0 HA GLU A 73 1.258 -29.590 5.104 1.00 33.04 H new ATOM 0 HB2 GLU A 73 -0.617 -30.634 6.165 1.00 51.24 H new ATOM 0 HB3 GLU A 73 0.519 -30.178 7.420 1.00 51.24 H new ATOM 0 HG2 GLU A 73 -0.819 -28.346 8.150 1.00 33.54 H new ATOM 0 HG3 GLU A 73 -1.718 -28.279 6.648 1.00 33.54 H new ATOM 1271 N LYS A 74 -0.223 -26.928 4.600 1.00 15.22 N ATOM 1272 CA LYS A 74 -1.063 -26.149 3.705 1.00 74.24 C ATOM 1273 C LYS A 74 -0.178 -25.386 2.718 1.00 4.24 C ATOM 1274 O LYS A 74 1.045 -25.505 2.754 1.00 22.52 O ATOM 1275 CB LYS A 74 -2.008 -25.250 4.506 1.00 43.43 C ATOM 1276 CG LYS A 74 -3.206 -26.045 5.032 1.00 13.23 C ATOM 1277 CD LYS A 74 -4.481 -25.200 4.995 1.00 31.31 C ATOM 1278 CE LYS A 74 -5.626 -25.907 5.725 1.00 43.12 C ATOM 1279 NZ LYS A 74 -6.564 -26.512 4.753 1.00 72.20 N ATOM 0 H LYS A 74 0.449 -26.381 5.138 1.00 15.22 H new ATOM 0 HA LYS A 74 -1.705 -26.805 3.117 1.00 74.24 H new ATOM 0 HB2 LYS A 74 -1.469 -24.802 5.341 1.00 43.43 H new ATOM 0 HB3 LYS A 74 -2.358 -24.432 3.877 1.00 43.43 H new ATOM 0 HG2 LYS A 74 -3.343 -26.944 4.431 1.00 13.23 H new ATOM 0 HG3 LYS A 74 -3.011 -26.371 6.054 1.00 13.23 H new ATOM 0 HD2 LYS A 74 -4.293 -24.231 5.457 1.00 31.31 H new ATOM 0 HD3 LYS A 74 -4.766 -25.010 3.960 1.00 31.31 H new ATOM 0 HE2 LYS A 74 -5.225 -26.679 6.382 1.00 43.12 H new ATOM 0 HE3 LYS A 74 -6.157 -25.195 6.357 1.00 43.12 H new ATOM 0 HZ1 LYS A 74 -7.335 -26.988 5.264 1.00 72.20 H new ATOM 0 HZ2 LYS A 74 -6.960 -25.768 4.144 1.00 72.20 H new ATOM 0 HZ3 LYS A 74 -6.057 -27.206 4.167 1.00 72.20 H new ATOM 1293 N ALA A 75 -0.832 -24.620 1.857 1.00 2.43 N ATOM 1294 CA ALA A 75 -0.120 -23.838 0.861 1.00 13.52 C ATOM 1295 C ALA A 75 -0.810 -22.481 0.696 1.00 54.01 C ATOM 1296 O ALA A 75 -2.022 -22.372 0.874 1.00 43.42 O ATOM 1297 CB ALA A 75 -0.055 -24.622 -0.452 1.00 3.35 C ATOM 0 H ALA A 75 -1.847 -24.524 1.829 1.00 2.43 H new ATOM 0 HA ALA A 75 0.905 -23.650 1.181 1.00 13.52 H new ATOM 0 HB1 ALA A 75 0.479 -24.036 -1.200 1.00 3.35 H new ATOM 0 HB2 ALA A 75 0.468 -25.564 -0.288 1.00 3.35 H new ATOM 0 HB3 ALA A 75 -1.066 -24.825 -0.805 1.00 3.35 H new ATOM 1303 N ILE A 76 -0.007 -21.483 0.358 1.00 45.33 N ATOM 1304 CA ILE A 76 -0.524 -20.138 0.166 1.00 65.33 C ATOM 1305 C ILE A 76 0.199 -19.481 -1.011 1.00 4.31 C ATOM 1306 O ILE A 76 1.427 -19.407 -1.025 1.00 22.55 O ATOM 1307 CB ILE A 76 -0.435 -19.341 1.469 1.00 71.13 C ATOM 1308 CG1 ILE A 76 -1.673 -18.464 1.661 1.00 33.21 C ATOM 1309 CG2 ILE A 76 0.859 -18.525 1.522 1.00 65.54 C ATOM 1310 CD1 ILE A 76 -1.642 -17.762 3.020 1.00 43.42 C ATOM 0 H ILE A 76 0.998 -21.578 0.212 1.00 45.33 H new ATOM 0 HA ILE A 76 -1.583 -20.168 -0.090 1.00 65.33 H new ATOM 0 HB ILE A 76 -0.408 -20.045 2.300 1.00 71.13 H new ATOM 0 HG12 ILE A 76 -1.724 -17.721 0.865 1.00 33.21 H new ATOM 0 HG13 ILE A 76 -2.572 -19.076 1.584 1.00 33.21 H new ATOM 0 HG21 ILE A 76 0.899 -17.967 2.458 1.00 65.54 H new ATOM 0 HG22 ILE A 76 1.715 -19.197 1.463 1.00 65.54 H new ATOM 0 HG23 ILE A 76 0.885 -17.829 0.683 1.00 65.54 H new ATOM 0 HD11 ILE A 76 -2.534 -17.145 3.131 1.00 43.42 H new ATOM 0 HD12 ILE A 76 -1.616 -18.508 3.814 1.00 43.42 H new ATOM 0 HD13 ILE A 76 -0.755 -17.132 3.084 1.00 43.42 H new ATOM 1322 N PHE A 77 -0.592 -19.021 -1.968 1.00 12.42 N ATOM 1323 CA PHE A 77 -0.042 -18.371 -3.146 1.00 62.30 C ATOM 1324 C PHE A 77 -0.552 -16.934 -3.268 1.00 33.33 C ATOM 1325 O PHE A 77 -1.744 -16.678 -3.107 1.00 33.52 O ATOM 1326 CB PHE A 77 -0.516 -19.173 -4.361 1.00 40.44 C ATOM 1327 CG PHE A 77 0.007 -20.610 -4.400 1.00 70.23 C ATOM 1328 CD1 PHE A 77 1.243 -20.870 -4.907 1.00 4.54 C ATOM 1329 CD2 PHE A 77 -0.762 -21.626 -3.928 1.00 44.34 C ATOM 1330 CE1 PHE A 77 1.728 -22.204 -4.945 1.00 1.33 C ATOM 1331 CE2 PHE A 77 -0.276 -22.960 -3.965 1.00 41.05 C ATOM 1332 CZ PHE A 77 0.957 -23.222 -4.472 1.00 35.23 C ATOM 0 H PHE A 77 -1.610 -19.085 -1.952 1.00 12.42 H new ATOM 0 HA PHE A 77 1.045 -18.337 -3.079 1.00 62.30 H new ATOM 0 HB2 PHE A 77 -1.606 -19.194 -4.367 1.00 40.44 H new ATOM 0 HB3 PHE A 77 -0.202 -18.658 -5.269 1.00 40.44 H new ATOM 0 HD1 PHE A 77 1.855 -20.062 -5.280 1.00 4.54 H new ATOM 0 HD2 PHE A 77 -1.742 -21.419 -3.525 1.00 44.34 H new ATOM 0 HE1 PHE A 77 2.708 -22.411 -5.349 1.00 1.33 H new ATOM 0 HE2 PHE A 77 -0.887 -23.767 -3.590 1.00 41.05 H new ATOM 0 HZ PHE A 77 1.325 -24.237 -4.500 1.00 35.23 H new ATOM 1342 N ILE A 78 0.377 -16.033 -3.551 1.00 3.55 N ATOM 1343 CA ILE A 78 0.038 -14.628 -3.697 1.00 70.04 C ATOM 1344 C ILE A 78 -0.389 -14.357 -5.141 1.00 63.43 C ATOM 1345 O ILE A 78 0.420 -14.469 -6.061 1.00 62.34 O ATOM 1346 CB ILE A 78 1.193 -13.745 -3.220 1.00 15.11 C ATOM 1347 CG1 ILE A 78 1.824 -14.308 -1.946 1.00 31.40 C ATOM 1348 CG2 ILE A 78 0.738 -12.295 -3.043 1.00 23.31 C ATOM 1349 CD1 ILE A 78 0.992 -13.943 -0.714 1.00 44.32 C ATOM 0 H ILE A 78 1.365 -16.249 -3.683 1.00 3.55 H new ATOM 0 HA ILE A 78 -0.810 -14.373 -3.061 1.00 70.04 H new ATOM 0 HB ILE A 78 1.965 -13.748 -3.989 1.00 15.11 H new ATOM 0 HG12 ILE A 78 1.907 -15.392 -2.025 1.00 31.40 H new ATOM 0 HG13 ILE A 78 2.836 -13.918 -1.834 1.00 31.40 H new ATOM 0 HG21 ILE A 78 1.578 -11.689 -2.703 1.00 23.31 H new ATOM 0 HG22 ILE A 78 0.374 -11.909 -3.995 1.00 23.31 H new ATOM 0 HG23 ILE A 78 -0.062 -12.252 -2.304 1.00 23.31 H new ATOM 0 HD11 ILE A 78 1.463 -14.356 0.178 1.00 44.32 H new ATOM 0 HD12 ILE A 78 0.932 -12.858 -0.624 1.00 44.32 H new ATOM 0 HD13 ILE A 78 -0.012 -14.355 -0.818 1.00 44.32 H new ATOM 1361 N PHE A 79 -1.656 -14.007 -5.293 1.00 54.23 N ATOM 1362 CA PHE A 79 -2.200 -13.721 -6.611 1.00 2.04 C ATOM 1363 C PHE A 79 -2.373 -12.215 -6.817 1.00 53.42 C ATOM 1364 O PHE A 79 -3.122 -11.566 -6.087 1.00 2.01 O ATOM 1365 CB PHE A 79 -3.573 -14.394 -6.685 1.00 31.10 C ATOM 1366 CG PHE A 79 -3.558 -15.762 -7.368 1.00 60.10 C ATOM 1367 CD1 PHE A 79 -3.205 -15.866 -8.677 1.00 2.43 C ATOM 1368 CD2 PHE A 79 -3.896 -16.877 -6.665 1.00 30.00 C ATOM 1369 CE1 PHE A 79 -3.191 -17.137 -9.311 1.00 63.12 C ATOM 1370 CE2 PHE A 79 -3.883 -18.147 -7.299 1.00 1.54 C ATOM 1371 CZ PHE A 79 -3.531 -18.251 -8.609 1.00 62.01 C ATOM 0 H PHE A 79 -2.323 -13.914 -4.527 1.00 54.23 H new ATOM 0 HA PHE A 79 -1.523 -14.092 -7.381 1.00 2.04 H new ATOM 0 HB2 PHE A 79 -3.966 -14.508 -5.675 1.00 31.10 H new ATOM 0 HB3 PHE A 79 -4.259 -13.739 -7.222 1.00 31.10 H new ATOM 0 HD1 PHE A 79 -2.935 -14.982 -9.235 1.00 2.43 H new ATOM 0 HD2 PHE A 79 -4.174 -16.796 -5.625 1.00 30.00 H new ATOM 0 HE1 PHE A 79 -2.910 -17.219 -10.351 1.00 63.12 H new ATOM 0 HE2 PHE A 79 -4.153 -19.031 -6.741 1.00 1.54 H new ATOM 0 HZ PHE A 79 -3.522 -19.217 -9.091 1.00 62.01 H new ATOM 1381 N VAL A 80 -1.667 -11.700 -7.813 1.00 21.44 N ATOM 1382 CA VAL A 80 -1.732 -10.283 -8.124 1.00 62.12 C ATOM 1383 C VAL A 80 -2.093 -10.105 -9.600 1.00 53.14 C ATOM 1384 O VAL A 80 -1.255 -10.316 -10.477 1.00 72.31 O ATOM 1385 CB VAL A 80 -0.416 -9.602 -7.742 1.00 75.21 C ATOM 1386 CG1 VAL A 80 0.783 -10.435 -8.198 1.00 74.51 C ATOM 1387 CG2 VAL A 80 -0.347 -8.184 -8.312 1.00 72.24 C ATOM 0 H VAL A 80 -1.046 -12.240 -8.416 1.00 21.44 H new ATOM 0 HA VAL A 80 -2.514 -9.799 -7.539 1.00 62.12 H new ATOM 0 HB VAL A 80 -0.379 -9.528 -6.655 1.00 75.21 H new ATOM 0 HG11 VAL A 80 1.706 -9.929 -7.915 1.00 74.51 H new ATOM 0 HG12 VAL A 80 0.746 -11.416 -7.724 1.00 74.51 H new ATOM 0 HG13 VAL A 80 0.752 -10.554 -9.281 1.00 74.51 H new ATOM 0 HG21 VAL A 80 0.598 -7.722 -8.026 1.00 72.24 H new ATOM 0 HG22 VAL A 80 -0.416 -8.225 -9.399 1.00 72.24 H new ATOM 0 HG23 VAL A 80 -1.174 -7.593 -7.918 1.00 72.24 H new ATOM 1397 N ASN A 81 -3.338 -9.718 -9.831 1.00 42.00 N ATOM 1398 CA ASN A 81 -3.819 -9.509 -11.185 1.00 42.34 C ATOM 1399 C ASN A 81 -4.047 -10.866 -11.856 1.00 23.52 C ATOM 1400 O ASN A 81 -3.880 -10.999 -13.068 1.00 11.11 O ATOM 1401 CB ASN A 81 -2.797 -8.735 -12.019 1.00 33.42 C ATOM 1402 CG ASN A 81 -2.059 -7.703 -11.163 1.00 32.13 C ATOM 1403 OD1 ASN A 81 -0.743 -7.882 -11.115 1.00 74.42 O flip ATOM 1404 ND2 ASN A 81 -2.647 -6.805 -10.584 1.00 23.44 N flip ATOM 0 H ASN A 81 -4.029 -9.543 -9.102 1.00 42.00 H new ATOM 0 HA ASN A 81 -4.746 -8.938 -11.129 1.00 42.34 H new ATOM 0 HB2 ASN A 81 -2.080 -9.429 -12.457 1.00 33.42 H new ATOM 0 HB3 ASN A 81 -3.301 -8.234 -12.845 1.00 33.42 H new ATOM 0 HD21 ASN A 81 -3.661 -6.725 -10.663 1.00 23.44 H new ATOM 0 HD22 ASN A 81 -2.125 -6.134 -10.020 1.00 23.44 H new ATOM 1411 N ASP A 82 -4.423 -11.838 -11.040 1.00 73.32 N ATOM 1412 CA ASP A 82 -4.675 -13.180 -11.538 1.00 23.32 C ATOM 1413 C ASP A 82 -3.352 -13.816 -11.968 1.00 11.03 C ATOM 1414 O ASP A 82 -3.344 -14.847 -12.638 1.00 50.53 O ATOM 1415 CB ASP A 82 -5.602 -13.150 -12.755 1.00 70.50 C ATOM 1416 CG ASP A 82 -6.769 -12.165 -12.655 1.00 21.54 C ATOM 1417 OD1 ASP A 82 -6.597 -10.950 -12.836 1.00 75.13 O ATOM 1418 OD2 ASP A 82 -7.909 -12.698 -12.373 1.00 63.05 O ATOM 0 H ASP A 82 -4.560 -11.724 -10.036 1.00 73.32 H new ATOM 0 HA ASP A 82 -5.146 -13.754 -10.739 1.00 23.32 H new ATOM 0 HB2 ASP A 82 -5.011 -12.902 -13.637 1.00 70.50 H new ATOM 0 HB3 ASP A 82 -6.004 -14.151 -12.912 1.00 70.50 H new ATOM 1424 N THR A 83 -2.264 -13.174 -11.563 1.00 42.44 N ATOM 1425 CA THR A 83 -0.938 -13.666 -11.898 1.00 61.11 C ATOM 1426 C THR A 83 -0.151 -13.985 -10.626 1.00 21.15 C ATOM 1427 O THR A 83 -0.248 -13.264 -9.634 1.00 74.25 O ATOM 1428 CB THR A 83 -0.260 -12.622 -12.787 1.00 23.31 C ATOM 1429 OG1 THR A 83 0.558 -13.393 -13.665 1.00 43.30 O ATOM 1430 CG2 THR A 83 0.737 -11.755 -12.016 1.00 30.14 C ATOM 0 H THR A 83 -2.274 -12.319 -11.007 1.00 42.44 H new ATOM 0 HA THR A 83 -0.990 -14.603 -12.453 1.00 61.11 H new ATOM 0 HB THR A 83 -1.019 -11.985 -13.243 1.00 23.31 H new ATOM 0 HG1 THR A 83 1.034 -12.795 -14.279 1.00 43.30 H new ATOM 0 HG21 THR A 83 1.190 -11.031 -12.694 1.00 30.14 H new ATOM 0 HG22 THR A 83 0.218 -11.228 -11.216 1.00 30.14 H new ATOM 0 HG23 THR A 83 1.515 -12.388 -11.589 1.00 30.14 H new ATOM 1438 N LEU A 84 0.610 -15.067 -10.696 1.00 12.33 N ATOM 1439 CA LEU A 84 1.414 -15.491 -9.562 1.00 64.22 C ATOM 1440 C LEU A 84 2.877 -15.120 -9.814 1.00 22.45 C ATOM 1441 O LEU A 84 3.530 -15.708 -10.675 1.00 1.12 O ATOM 1442 CB LEU A 84 1.195 -16.978 -9.277 1.00 62.51 C ATOM 1443 CG LEU A 84 0.238 -17.307 -8.130 1.00 1.30 C ATOM 1444 CD1 LEU A 84 -0.399 -18.684 -8.325 1.00 31.45 C ATOM 1445 CD2 LEU A 84 0.943 -17.188 -6.776 1.00 5.15 C ATOM 0 H LEU A 84 0.687 -15.663 -11.520 1.00 12.33 H new ATOM 0 HA LEU A 84 1.104 -14.969 -8.657 1.00 64.22 H new ATOM 0 HB2 LEU A 84 0.819 -17.450 -10.185 1.00 62.51 H new ATOM 0 HB3 LEU A 84 2.162 -17.432 -9.059 1.00 62.51 H new ATOM 0 HG LEU A 84 -0.569 -16.575 -8.138 1.00 1.30 H new ATOM 0 HD11 LEU A 84 -1.075 -18.893 -7.496 1.00 31.45 H new ATOM 0 HD12 LEU A 84 -0.958 -18.697 -9.261 1.00 31.45 H new ATOM 0 HD13 LEU A 84 0.381 -19.444 -8.358 1.00 31.45 H new ATOM 0 HD21 LEU A 84 0.240 -17.427 -5.978 1.00 5.15 H new ATOM 0 HD22 LEU A 84 1.782 -17.882 -6.741 1.00 5.15 H new ATOM 0 HD23 LEU A 84 1.309 -16.170 -6.644 1.00 5.15 H new ATOM 1457 N PRO A 85 3.362 -14.125 -9.025 1.00 73.14 N ATOM 1458 CA PRO A 85 4.736 -13.671 -9.154 1.00 54.01 C ATOM 1459 C PRO A 85 5.707 -14.678 -8.536 1.00 31.32 C ATOM 1460 O PRO A 85 5.324 -15.466 -7.673 1.00 23.50 O ATOM 1461 CB PRO A 85 4.769 -12.316 -8.466 1.00 13.52 C ATOM 1462 CG PRO A 85 3.537 -12.270 -7.576 1.00 42.32 C ATOM 1463 CD PRO A 85 2.618 -13.407 -7.994 1.00 13.01 C ATOM 0 HA PRO A 85 5.054 -13.584 -10.193 1.00 54.01 H new ATOM 0 HB2 PRO A 85 5.680 -12.198 -7.879 1.00 13.52 H new ATOM 0 HB3 PRO A 85 4.754 -11.507 -9.196 1.00 13.52 H new ATOM 0 HG2 PRO A 85 3.819 -12.372 -6.528 1.00 42.32 H new ATOM 0 HG3 PRO A 85 3.029 -11.311 -7.677 1.00 42.32 H new ATOM 0 HD2 PRO A 85 2.383 -14.056 -7.151 1.00 13.01 H new ATOM 0 HD3 PRO A 85 1.671 -13.029 -8.380 1.00 13.01 H new ATOM 1471 N PRO A 86 6.978 -14.618 -9.014 1.00 12.01 N ATOM 1472 CA PRO A 86 8.008 -15.516 -8.518 1.00 0.14 C ATOM 1473 C PRO A 86 8.476 -15.096 -7.123 1.00 13.22 C ATOM 1474 O PRO A 86 8.047 -14.067 -6.603 1.00 70.44 O ATOM 1475 CB PRO A 86 9.115 -15.460 -9.557 1.00 21.33 C ATOM 1476 CG PRO A 86 8.872 -14.188 -10.356 1.00 1.45 C ATOM 1477 CD PRO A 86 7.469 -13.699 -10.036 1.00 12.41 C ATOM 0 HA PRO A 86 7.649 -16.538 -8.393 1.00 0.14 H new ATOM 0 HB2 PRO A 86 10.096 -15.442 -9.082 1.00 21.33 H new ATOM 0 HB3 PRO A 86 9.090 -16.338 -10.203 1.00 21.33 H new ATOM 0 HG2 PRO A 86 9.610 -13.428 -10.098 1.00 1.45 H new ATOM 0 HG3 PRO A 86 8.975 -14.382 -11.424 1.00 1.45 H new ATOM 0 HD2 PRO A 86 7.482 -12.672 -9.671 1.00 12.41 H new ATOM 0 HD3 PRO A 86 6.833 -13.715 -10.921 1.00 12.41 H new ATOM 1485 N THR A 87 9.351 -15.915 -6.556 1.00 44.33 N ATOM 1486 CA THR A 87 9.882 -15.641 -5.231 1.00 62.41 C ATOM 1487 C THR A 87 10.956 -14.553 -5.302 1.00 30.31 C ATOM 1488 O THR A 87 11.076 -13.736 -4.392 1.00 14.22 O ATOM 1489 CB THR A 87 10.389 -16.960 -4.644 1.00 10.12 C ATOM 1490 OG1 THR A 87 11.584 -17.226 -5.371 1.00 55.12 O ATOM 1491 CG2 THR A 87 9.477 -18.140 -4.982 1.00 50.43 C ATOM 0 H THR A 87 9.705 -16.768 -6.990 1.00 44.33 H new ATOM 0 HA THR A 87 9.111 -15.249 -4.568 1.00 62.41 H new ATOM 0 HB THR A 87 10.475 -16.866 -3.561 1.00 10.12 H new ATOM 0 HG1 THR A 87 11.981 -18.064 -5.053 1.00 55.12 H new ATOM 0 HG21 THR A 87 9.882 -19.051 -4.542 1.00 50.43 H new ATOM 0 HG22 THR A 87 8.480 -17.956 -4.581 1.00 50.43 H new ATOM 0 HG23 THR A 87 9.417 -18.255 -6.064 1.00 50.43 H new ATOM 1499 N ALA A 88 11.709 -14.580 -6.391 1.00 71.44 N ATOM 1500 CA ALA A 88 12.769 -13.608 -6.593 1.00 13.45 C ATOM 1501 C ALA A 88 12.157 -12.276 -7.033 1.00 44.20 C ATOM 1502 O ALA A 88 12.876 -11.313 -7.290 1.00 63.25 O ATOM 1503 CB ALA A 88 13.776 -14.150 -7.609 1.00 64.41 C ATOM 0 H ALA A 88 11.606 -15.261 -7.144 1.00 71.44 H new ATOM 0 HA ALA A 88 13.309 -13.432 -5.663 1.00 13.45 H new ATOM 0 HB1 ALA A 88 14.571 -13.419 -7.759 1.00 64.41 H new ATOM 0 HB2 ALA A 88 14.204 -15.080 -7.236 1.00 64.41 H new ATOM 0 HB3 ALA A 88 13.272 -14.337 -8.557 1.00 64.41 H new ATOM 1509 N ALA A 89 10.834 -12.266 -7.108 1.00 34.45 N ATOM 1510 CA ALA A 89 10.116 -11.070 -7.513 1.00 73.43 C ATOM 1511 C ALA A 89 10.098 -10.073 -6.352 1.00 42.11 C ATOM 1512 O ALA A 89 9.032 -9.711 -5.858 1.00 30.52 O ATOM 1513 CB ALA A 89 8.711 -11.449 -7.978 1.00 61.45 C ATOM 0 H ALA A 89 10.241 -13.068 -6.895 1.00 34.45 H new ATOM 0 HA ALA A 89 10.617 -10.589 -8.353 1.00 73.43 H new ATOM 0 HB1 ALA A 89 8.173 -10.551 -8.282 1.00 61.45 H new ATOM 0 HB2 ALA A 89 8.780 -12.134 -8.823 1.00 61.45 H new ATOM 0 HB3 ALA A 89 8.176 -11.933 -7.161 1.00 61.45 H new ATOM 1519 N LEU A 90 11.291 -9.659 -5.951 1.00 64.42 N ATOM 1520 CA LEU A 90 11.425 -8.712 -4.856 1.00 63.51 C ATOM 1521 C LEU A 90 10.169 -7.841 -4.785 1.00 52.21 C ATOM 1522 O LEU A 90 9.853 -7.123 -5.732 1.00 54.01 O ATOM 1523 CB LEU A 90 12.722 -7.912 -4.996 1.00 34.25 C ATOM 1524 CG LEU A 90 14.016 -8.681 -4.725 1.00 71.21 C ATOM 1525 CD1 LEU A 90 15.210 -7.730 -4.640 1.00 54.54 C ATOM 1526 CD2 LEU A 90 13.886 -9.552 -3.475 1.00 41.31 C ATOM 0 H LEU A 90 12.173 -9.961 -6.364 1.00 64.42 H new ATOM 0 HA LEU A 90 11.503 -9.237 -3.904 1.00 63.51 H new ATOM 0 HB2 LEU A 90 12.768 -7.507 -6.007 1.00 34.25 H new ATOM 0 HB3 LEU A 90 12.677 -7.063 -4.314 1.00 34.25 H new ATOM 0 HG LEU A 90 14.197 -9.351 -5.565 1.00 71.21 H new ATOM 0 HD11 LEU A 90 16.118 -8.302 -4.447 1.00 54.54 H new ATOM 0 HD12 LEU A 90 15.314 -7.192 -5.582 1.00 54.54 H new ATOM 0 HD13 LEU A 90 15.051 -7.018 -3.831 1.00 54.54 H new ATOM 0 HD21 LEU A 90 14.820 -10.088 -3.306 1.00 41.31 H new ATOM 0 HD22 LEU A 90 13.668 -8.921 -2.613 1.00 41.31 H new ATOM 0 HD23 LEU A 90 13.077 -10.269 -3.614 1.00 41.31 H new ATOM 1538 N MET A 91 9.488 -7.933 -3.652 1.00 32.43 N ATOM 1539 CA MET A 91 8.273 -7.161 -3.445 1.00 22.31 C ATOM 1540 C MET A 91 8.416 -5.750 -4.017 1.00 44.01 C ATOM 1541 O MET A 91 7.427 -5.132 -4.410 1.00 41.02 O ATOM 1542 CB MET A 91 7.971 -7.078 -1.947 1.00 61.30 C ATOM 1543 CG MET A 91 7.832 -8.475 -1.338 1.00 10.20 C ATOM 1544 SD MET A 91 6.343 -9.256 -1.935 1.00 71.21 S ATOM 1545 CE MET A 91 5.181 -7.919 -1.716 1.00 3.14 C ATOM 0 H MET A 91 9.754 -8.529 -2.868 1.00 32.43 H new ATOM 0 HA MET A 91 7.454 -7.660 -3.963 1.00 22.31 H new ATOM 0 HB2 MET A 91 8.769 -6.534 -1.441 1.00 61.30 H new ATOM 0 HB3 MET A 91 7.051 -6.515 -1.788 1.00 61.30 H new ATOM 0 HG2 MET A 91 8.700 -9.082 -1.597 1.00 10.20 H new ATOM 0 HG3 MET A 91 7.805 -8.406 -0.251 1.00 10.20 H new ATOM 0 HE1 MET A 91 4.165 -8.314 -1.731 1.00 3.14 H new ATOM 0 HE2 MET A 91 5.366 -7.429 -0.760 1.00 3.14 H new ATOM 0 HE3 MET A 91 5.301 -7.196 -2.523 1.00 3.14 H new ATOM 1555 N SER A 92 9.655 -5.279 -4.045 1.00 61.22 N ATOM 1556 CA SER A 92 9.939 -3.952 -4.561 1.00 10.22 C ATOM 1557 C SER A 92 9.626 -3.894 -6.058 1.00 3.55 C ATOM 1558 O SER A 92 8.939 -2.983 -6.518 1.00 30.35 O ATOM 1559 CB SER A 92 11.398 -3.564 -4.310 1.00 12.35 C ATOM 1560 OG SER A 92 11.646 -2.195 -4.616 1.00 55.11 O ATOM 0 H SER A 92 10.473 -5.794 -3.718 1.00 61.22 H new ATOM 0 HA SER A 92 9.305 -3.238 -4.035 1.00 10.22 H new ATOM 0 HB2 SER A 92 11.649 -3.754 -3.266 1.00 12.35 H new ATOM 0 HB3 SER A 92 12.050 -4.195 -4.914 1.00 12.35 H new ATOM 0 HG SER A 92 12.611 -2.025 -4.596 1.00 55.11 H new ATOM 1566 N ALA A 93 10.143 -4.880 -6.777 1.00 51.43 N ATOM 1567 CA ALA A 93 9.927 -4.952 -8.212 1.00 44.32 C ATOM 1568 C ALA A 93 8.483 -5.379 -8.485 1.00 70.44 C ATOM 1569 O ALA A 93 8.031 -5.358 -9.628 1.00 35.31 O ATOM 1570 CB ALA A 93 10.944 -5.911 -8.834 1.00 51.33 C ATOM 0 H ALA A 93 10.711 -5.635 -6.393 1.00 51.43 H new ATOM 0 HA ALA A 93 10.076 -3.975 -8.672 1.00 44.32 H new ATOM 0 HB1 ALA A 93 10.782 -5.965 -9.911 1.00 51.33 H new ATOM 0 HB2 ALA A 93 11.953 -5.549 -8.637 1.00 51.33 H new ATOM 0 HB3 ALA A 93 10.822 -6.903 -8.399 1.00 51.33 H new ATOM 1576 N ILE A 94 7.799 -5.755 -7.414 1.00 40.34 N ATOM 1577 CA ILE A 94 6.414 -6.186 -7.524 1.00 0.42 C ATOM 1578 C ILE A 94 5.496 -4.966 -7.410 1.00 61.53 C ATOM 1579 O ILE A 94 4.634 -4.753 -8.262 1.00 44.40 O ATOM 1580 CB ILE A 94 6.112 -7.281 -6.500 1.00 24.11 C ATOM 1581 CG1 ILE A 94 6.882 -8.563 -6.825 1.00 53.44 C ATOM 1582 CG2 ILE A 94 4.606 -7.530 -6.393 1.00 24.34 C ATOM 1583 CD1 ILE A 94 6.232 -9.313 -7.990 1.00 10.40 C ATOM 0 H ILE A 94 8.177 -5.770 -6.467 1.00 40.34 H new ATOM 0 HA ILE A 94 6.229 -6.635 -8.500 1.00 0.42 H new ATOM 0 HB ILE A 94 6.453 -6.939 -5.523 1.00 24.11 H new ATOM 0 HG12 ILE A 94 7.914 -8.318 -7.076 1.00 53.44 H new ATOM 0 HG13 ILE A 94 6.912 -9.206 -5.945 1.00 53.44 H new ATOM 0 HG21 ILE A 94 4.418 -8.313 -5.658 1.00 24.34 H new ATOM 0 HG22 ILE A 94 4.107 -6.613 -6.081 1.00 24.34 H new ATOM 0 HG23 ILE A 94 4.219 -7.842 -7.363 1.00 24.34 H new ATOM 0 HD11 ILE A 94 6.799 -10.220 -8.200 1.00 10.40 H new ATOM 0 HD12 ILE A 94 5.208 -9.578 -7.726 1.00 10.40 H new ATOM 0 HD13 ILE A 94 6.225 -8.676 -8.874 1.00 10.40 H new ATOM 1595 N TYR A 95 5.711 -4.200 -6.351 1.00 51.15 N ATOM 1596 CA TYR A 95 4.914 -3.008 -6.114 1.00 20.24 C ATOM 1597 C TYR A 95 5.227 -1.926 -7.149 1.00 42.21 C ATOM 1598 O TYR A 95 4.569 -0.886 -7.182 1.00 45.41 O ATOM 1599 CB TYR A 95 5.311 -2.503 -4.728 1.00 42.53 C ATOM 1600 CG TYR A 95 4.754 -1.120 -4.385 1.00 20.22 C ATOM 1601 CD1 TYR A 95 5.294 0.006 -4.973 1.00 32.12 C ATOM 1602 CD2 TYR A 95 3.712 -0.997 -3.489 1.00 42.40 C ATOM 1603 CE1 TYR A 95 4.770 1.309 -4.652 1.00 52.14 C ATOM 1604 CE2 TYR A 95 3.187 0.305 -3.168 1.00 23.54 C ATOM 1605 CZ TYR A 95 3.743 1.393 -3.765 1.00 24.44 C ATOM 1606 OH TYR A 95 3.247 2.623 -3.462 1.00 51.50 O ATOM 0 H TYR A 95 6.426 -4.382 -5.647 1.00 51.15 H new ATOM 0 HA TYR A 95 3.851 -3.237 -6.185 1.00 20.24 H new ATOM 0 HB2 TYR A 95 4.967 -3.217 -3.980 1.00 42.53 H new ATOM 0 HB3 TYR A 95 6.399 -2.472 -4.662 1.00 42.53 H new ATOM 0 HD1 TYR A 95 6.110 -0.090 -5.674 1.00 32.12 H new ATOM 0 HD2 TYR A 95 3.290 -1.878 -3.028 1.00 42.40 H new ATOM 0 HE1 TYR A 95 5.183 2.198 -5.105 1.00 52.14 H new ATOM 0 HE2 TYR A 95 2.371 0.415 -2.469 1.00 23.54 H new ATOM 0 HH TYR A 95 2.380 2.525 -3.015 1.00 51.50 H new ATOM 1616 N GLN A 96 6.230 -2.205 -7.967 1.00 41.34 N ATOM 1617 CA GLN A 96 6.639 -1.268 -9.000 1.00 40.14 C ATOM 1618 C GLN A 96 6.121 -1.723 -10.365 1.00 73.33 C ATOM 1619 O GLN A 96 6.169 -0.968 -11.334 1.00 35.05 O ATOM 1620 CB GLN A 96 8.160 -1.101 -9.018 1.00 62.44 C ATOM 1621 CG GLN A 96 8.675 -0.935 -10.449 1.00 73.05 C ATOM 1622 CD GLN A 96 10.179 -0.651 -10.460 1.00 52.22 C ATOM 1623 OE1 GLN A 96 10.659 0.311 -9.884 1.00 22.34 O ATOM 1624 NE2 GLN A 96 10.891 -1.538 -11.147 1.00 34.13 N ATOM 0 H GLN A 96 6.773 -3.068 -7.936 1.00 41.34 H new ATOM 0 HA GLN A 96 6.202 -0.295 -8.774 1.00 40.14 H new ATOM 0 HB2 GLN A 96 8.441 -0.232 -8.423 1.00 62.44 H new ATOM 0 HB3 GLN A 96 8.631 -1.969 -8.556 1.00 62.44 H new ATOM 0 HG2 GLN A 96 8.468 -1.839 -11.021 1.00 73.05 H new ATOM 0 HG3 GLN A 96 8.143 -0.119 -10.938 1.00 73.05 H new ATOM 0 HE21 GLN A 96 10.425 -2.321 -11.606 1.00 34.13 H new ATOM 0 HE22 GLN A 96 11.904 -1.436 -11.216 1.00 34.13 H new ATOM 1633 N GLU A 97 5.635 -2.955 -10.397 1.00 32.44 N ATOM 1634 CA GLU A 97 5.108 -3.519 -11.628 1.00 2.21 C ATOM 1635 C GLU A 97 3.600 -3.751 -11.503 1.00 41.50 C ATOM 1636 O GLU A 97 2.906 -3.903 -12.507 1.00 31.31 O ATOM 1637 CB GLU A 97 5.833 -4.816 -11.992 1.00 65.22 C ATOM 1638 CG GLU A 97 5.182 -6.020 -11.307 1.00 55.53 C ATOM 1639 CD GLU A 97 5.915 -7.315 -11.662 1.00 44.43 C ATOM 1640 OE1 GLU A 97 5.327 -8.207 -12.292 1.00 63.43 O ATOM 1641 OE2 GLU A 97 7.139 -7.376 -11.260 1.00 70.13 O ATOM 0 H GLU A 97 5.595 -3.578 -9.591 1.00 32.44 H new ATOM 0 HA GLU A 97 5.281 -2.806 -12.434 1.00 2.21 H new ATOM 0 HB2 GLU A 97 5.816 -4.955 -13.073 1.00 65.22 H new ATOM 0 HB3 GLU A 97 6.880 -4.747 -11.696 1.00 65.22 H new ATOM 0 HG2 GLU A 97 5.191 -5.877 -10.226 1.00 55.53 H new ATOM 0 HG3 GLU A 97 4.138 -6.094 -11.610 1.00 55.53 H new ATOM 1649 N HIS A 98 3.139 -3.774 -10.261 1.00 3.52 N ATOM 1650 CA HIS A 98 1.726 -3.985 -9.992 1.00 21.22 C ATOM 1651 C HIS A 98 1.160 -2.775 -9.246 1.00 61.24 C ATOM 1652 O HIS A 98 0.107 -2.866 -8.616 1.00 1.42 O ATOM 1653 CB HIS A 98 1.508 -5.300 -9.240 1.00 32.21 C ATOM 1654 CG HIS A 98 1.965 -6.523 -9.998 1.00 32.35 C ATOM 1655 ND1 HIS A 98 1.632 -6.753 -11.321 1.00 41.32 N ATOM 1656 CD2 HIS A 98 2.732 -7.580 -9.604 1.00 62.03 C ATOM 1657 CE1 HIS A 98 2.178 -7.900 -11.697 1.00 52.14 C ATOM 1658 NE2 HIS A 98 2.860 -8.411 -10.632 1.00 24.24 N ATOM 0 H HIS A 98 3.718 -3.650 -9.430 1.00 3.52 H new ATOM 0 HA HIS A 98 1.182 -4.076 -10.932 1.00 21.22 H new ATOM 0 HB2 HIS A 98 2.039 -5.255 -8.289 1.00 32.21 H new ATOM 0 HB3 HIS A 98 0.448 -5.403 -9.009 1.00 32.21 H new ATOM 0 HD2 HIS A 98 3.162 -7.718 -8.623 1.00 62.03 H new ATOM 0 HE1 HIS A 98 2.097 -8.351 -12.675 1.00 52.14 H new ATOM 0 HE2 HIS A 98 3.382 -9.287 -10.626 1.00 24.24 H new ATOM 1667 N LYS A 99 1.883 -1.669 -9.343 1.00 12.51 N ATOM 1668 CA LYS A 99 1.466 -0.442 -8.687 1.00 13.43 C ATOM 1669 C LYS A 99 0.083 -0.039 -9.200 1.00 32.40 C ATOM 1670 O LYS A 99 -0.324 -0.450 -10.285 1.00 3.15 O ATOM 1671 CB LYS A 99 2.527 0.645 -8.858 1.00 4.34 C ATOM 1672 CG LYS A 99 2.686 1.030 -10.329 1.00 4.14 C ATOM 1673 CD LYS A 99 2.245 2.476 -10.569 1.00 12.25 C ATOM 1674 CE LYS A 99 2.151 2.780 -12.065 1.00 60.42 C ATOM 1675 NZ LYS A 99 0.949 3.594 -12.356 1.00 53.51 N ATOM 0 H LYS A 99 2.756 -1.597 -9.866 1.00 12.51 H new ATOM 0 HA LYS A 99 1.374 -0.597 -7.612 1.00 13.43 H new ATOM 0 HB2 LYS A 99 2.249 1.524 -8.277 1.00 4.34 H new ATOM 0 HB3 LYS A 99 3.481 0.292 -8.466 1.00 4.34 H new ATOM 0 HG2 LYS A 99 3.727 0.909 -10.630 1.00 4.14 H new ATOM 0 HG3 LYS A 99 2.094 0.358 -10.950 1.00 4.14 H new ATOM 0 HD2 LYS A 99 1.277 2.648 -10.098 1.00 12.25 H new ATOM 0 HD3 LYS A 99 2.953 3.159 -10.100 1.00 12.25 H new ATOM 0 HE2 LYS A 99 3.045 3.312 -12.390 1.00 60.42 H new ATOM 0 HE3 LYS A 99 2.111 1.848 -12.629 1.00 60.42 H new ATOM 0 HZ1 LYS A 99 0.902 3.791 -13.376 1.00 53.51 H new ATOM 0 HZ2 LYS A 99 0.098 3.073 -12.064 1.00 53.51 H new ATOM 0 HZ3 LYS A 99 1.002 4.491 -11.833 1.00 53.51 H new ATOM 1689 N ASP A 100 -0.602 0.764 -8.398 1.00 41.20 N ATOM 1690 CA ASP A 100 -1.930 1.228 -8.759 1.00 31.41 C ATOM 1691 C ASP A 100 -1.981 2.753 -8.646 1.00 24.34 C ATOM 1692 O ASP A 100 -1.050 3.373 -8.132 1.00 10.10 O ATOM 1693 CB ASP A 100 -2.990 0.650 -7.820 1.00 64.51 C ATOM 1694 CG ASP A 100 -4.244 0.115 -8.512 1.00 34.41 C ATOM 1695 OD1 ASP A 100 -4.219 -0.945 -9.153 1.00 4.35 O ATOM 1696 OD2 ASP A 100 -5.298 0.847 -8.371 1.00 2.43 O ATOM 0 H ASP A 100 -0.261 1.105 -7.499 1.00 41.20 H new ATOM 0 HA ASP A 100 -2.135 0.902 -9.779 1.00 31.41 H new ATOM 0 HB2 ASP A 100 -2.540 -0.157 -7.242 1.00 64.51 H new ATOM 0 HB3 ASP A 100 -3.286 1.423 -7.111 1.00 64.51 H new ATOM 1702 N LYS A 101 -3.077 3.315 -9.135 1.00 74.24 N ATOM 1703 CA LYS A 101 -3.261 4.755 -9.096 1.00 45.13 C ATOM 1704 C LYS A 101 -2.814 5.285 -7.732 1.00 14.41 C ATOM 1705 O LYS A 101 -1.841 6.031 -7.639 1.00 44.44 O ATOM 1706 CB LYS A 101 -4.702 5.121 -9.457 1.00 61.03 C ATOM 1707 CG LYS A 101 -5.038 4.686 -10.884 1.00 1.14 C ATOM 1708 CD LYS A 101 -6.080 5.614 -11.510 1.00 13.14 C ATOM 1709 CE LYS A 101 -7.290 5.781 -10.587 1.00 51.00 C ATOM 1710 NZ LYS A 101 -8.290 6.683 -11.202 1.00 33.55 N ATOM 0 H LYS A 101 -3.847 2.798 -9.560 1.00 74.24 H new ATOM 0 HA LYS A 101 -2.637 5.240 -9.847 1.00 45.13 H new ATOM 0 HB2 LYS A 101 -5.388 4.644 -8.757 1.00 61.03 H new ATOM 0 HB3 LYS A 101 -4.843 6.197 -9.359 1.00 61.03 H new ATOM 0 HG2 LYS A 101 -4.133 4.688 -11.491 1.00 1.14 H new ATOM 0 HG3 LYS A 101 -5.415 3.663 -10.877 1.00 1.14 H new ATOM 0 HD2 LYS A 101 -5.632 6.588 -11.709 1.00 13.14 H new ATOM 0 HD3 LYS A 101 -6.403 5.210 -12.469 1.00 13.14 H new ATOM 0 HE2 LYS A 101 -7.741 4.809 -10.390 1.00 51.00 H new ATOM 0 HE3 LYS A 101 -6.969 6.185 -9.627 1.00 51.00 H new ATOM 0 HZ1 LYS A 101 -9.104 6.786 -10.563 1.00 33.55 H new ATOM 0 HZ2 LYS A 101 -7.861 7.616 -11.368 1.00 33.55 H new ATOM 0 HZ3 LYS A 101 -8.609 6.282 -12.107 1.00 33.55 H new ATOM 1724 N ASP A 102 -3.548 4.879 -6.706 1.00 24.54 N ATOM 1725 CA ASP A 102 -3.239 5.303 -5.351 1.00 44.11 C ATOM 1726 C ASP A 102 -1.770 5.002 -5.048 1.00 52.35 C ATOM 1727 O ASP A 102 -1.147 5.688 -4.240 1.00 42.15 O ATOM 1728 CB ASP A 102 -4.096 4.551 -4.330 1.00 5.45 C ATOM 1729 CG ASP A 102 -4.454 3.115 -4.719 1.00 13.43 C ATOM 1730 OD1 ASP A 102 -3.628 2.197 -4.602 1.00 41.40 O ATOM 1731 OD2 ASP A 102 -5.654 2.953 -5.165 1.00 40.41 O ATOM 0 H ASP A 102 -4.356 4.261 -6.786 1.00 24.54 H new ATOM 0 HA ASP A 102 -3.444 6.371 -5.278 1.00 44.11 H new ATOM 0 HB2 ASP A 102 -3.567 4.532 -3.377 1.00 5.45 H new ATOM 0 HB3 ASP A 102 -5.019 5.109 -4.171 1.00 5.45 H new ATOM 1737 N GLY A 103 -1.261 3.974 -5.713 1.00 12.34 N ATOM 1738 CA GLY A 103 0.124 3.576 -5.526 1.00 1.51 C ATOM 1739 C GLY A 103 0.218 2.304 -4.680 1.00 42.14 C ATOM 1740 O GLY A 103 1.049 1.437 -4.945 1.00 30.21 O ATOM 0 H GLY A 103 -1.782 3.406 -6.381 1.00 12.34 H new ATOM 0 HA2 GLY A 103 0.592 3.408 -6.496 1.00 1.51 H new ATOM 0 HA3 GLY A 103 0.676 4.381 -5.041 1.00 1.51 H new ATOM 1744 N PHE A 104 -0.649 2.233 -3.679 1.00 53.45 N ATOM 1745 CA PHE A 104 -0.674 1.081 -2.793 1.00 12.24 C ATOM 1746 C PHE A 104 -0.838 -0.218 -3.585 1.00 72.13 C ATOM 1747 O PHE A 104 -1.535 -0.247 -4.598 1.00 71.15 O ATOM 1748 CB PHE A 104 -1.880 1.256 -1.867 1.00 72.42 C ATOM 1749 CG PHE A 104 -1.528 1.803 -0.483 1.00 64.25 C ATOM 1750 CD1 PHE A 104 -1.412 3.145 -0.292 1.00 73.23 C ATOM 1751 CD2 PHE A 104 -1.331 0.949 0.556 1.00 30.24 C ATOM 1752 CE1 PHE A 104 -1.085 3.653 0.994 1.00 34.41 C ATOM 1753 CE2 PHE A 104 -1.004 1.458 1.841 1.00 70.41 C ATOM 1754 CZ PHE A 104 -0.888 2.798 2.033 1.00 62.30 C ATOM 0 H PHE A 104 -1.338 2.953 -3.463 1.00 53.45 H new ATOM 0 HA PHE A 104 0.261 1.019 -2.237 1.00 12.24 H new ATOM 0 HB2 PHE A 104 -2.594 1.929 -2.341 1.00 72.42 H new ATOM 0 HB3 PHE A 104 -2.378 0.293 -1.750 1.00 72.42 H new ATOM 0 HD1 PHE A 104 -1.568 3.824 -1.117 1.00 73.23 H new ATOM 0 HD2 PHE A 104 -1.423 -0.116 0.404 1.00 30.24 H new ATOM 0 HE1 PHE A 104 -0.993 4.718 1.146 1.00 34.41 H new ATOM 0 HE2 PHE A 104 -0.847 0.779 2.666 1.00 70.41 H new ATOM 0 HZ PHE A 104 -0.639 3.184 3.011 1.00 62.30 H new ATOM 1764 N LEU A 105 -0.186 -1.259 -3.092 1.00 64.23 N ATOM 1765 CA LEU A 105 -0.250 -2.559 -3.742 1.00 0.04 C ATOM 1766 C LEU A 105 -1.485 -3.313 -3.242 1.00 11.52 C ATOM 1767 O LEU A 105 -1.976 -3.049 -2.147 1.00 74.42 O ATOM 1768 CB LEU A 105 1.059 -3.323 -3.543 1.00 42.33 C ATOM 1769 CG LEU A 105 2.011 -3.348 -4.741 1.00 21.41 C ATOM 1770 CD1 LEU A 105 1.787 -4.600 -5.593 1.00 42.30 C ATOM 1771 CD2 LEU A 105 1.888 -2.065 -5.566 1.00 71.12 C ATOM 0 H LEU A 105 0.390 -1.231 -2.250 1.00 64.23 H new ATOM 0 HA LEU A 105 -0.362 -2.441 -4.820 1.00 0.04 H new ATOM 0 HB2 LEU A 105 1.586 -2.886 -2.695 1.00 42.33 H new ATOM 0 HB3 LEU A 105 0.819 -4.352 -3.274 1.00 42.33 H new ATOM 0 HG LEU A 105 3.033 -3.392 -4.364 1.00 21.41 H new ATOM 0 HD11 LEU A 105 2.476 -4.593 -6.438 1.00 42.30 H new ATOM 0 HD12 LEU A 105 1.964 -5.489 -4.987 1.00 42.30 H new ATOM 0 HD13 LEU A 105 0.761 -4.611 -5.962 1.00 42.30 H new ATOM 0 HD21 LEU A 105 2.575 -2.109 -6.411 1.00 71.12 H new ATOM 0 HD22 LEU A 105 0.867 -1.965 -5.933 1.00 71.12 H new ATOM 0 HD23 LEU A 105 2.135 -1.206 -4.942 1.00 71.12 H new ATOM 1783 N TYR A 106 -1.951 -4.235 -4.072 1.00 53.40 N ATOM 1784 CA TYR A 106 -3.118 -5.028 -3.729 1.00 42.31 C ATOM 1785 C TYR A 106 -3.004 -6.446 -4.295 1.00 52.24 C ATOM 1786 O TYR A 106 -3.098 -6.645 -5.505 1.00 34.34 O ATOM 1787 CB TYR A 106 -4.311 -4.327 -4.380 1.00 64.40 C ATOM 1788 CG TYR A 106 -4.767 -3.064 -3.648 1.00 62.10 C ATOM 1789 CD1 TYR A 106 -5.636 -3.161 -2.579 1.00 34.43 C ATOM 1790 CD2 TYR A 106 -4.310 -1.827 -4.055 1.00 44.43 C ATOM 1791 CE1 TYR A 106 -6.064 -1.971 -1.889 1.00 3.33 C ATOM 1792 CE2 TYR A 106 -4.738 -0.638 -3.365 1.00 41.03 C ATOM 1793 CZ TYR A 106 -5.594 -0.769 -2.316 1.00 45.15 C ATOM 1794 OH TYR A 106 -5.998 0.354 -1.665 1.00 44.34 O ATOM 0 H TYR A 106 -1.541 -4.450 -4.981 1.00 53.40 H new ATOM 0 HA TYR A 106 -3.221 -5.110 -2.647 1.00 42.31 H new ATOM 0 HB2 TYR A 106 -4.050 -4.066 -5.406 1.00 64.40 H new ATOM 0 HB3 TYR A 106 -5.146 -5.026 -4.432 1.00 64.40 H new ATOM 0 HD1 TYR A 106 -5.995 -4.129 -2.260 1.00 34.43 H new ATOM 0 HD2 TYR A 106 -3.631 -1.751 -4.891 1.00 44.43 H new ATOM 0 HE1 TYR A 106 -6.743 -2.032 -1.051 1.00 3.33 H new ATOM 0 HE2 TYR A 106 -4.387 0.336 -3.673 1.00 41.03 H new ATOM 0 HH TYR A 106 -5.300 0.638 -1.039 1.00 44.34 H new ATOM 1804 N VAL A 107 -2.801 -7.395 -3.392 1.00 22.34 N ATOM 1805 CA VAL A 107 -2.673 -8.787 -3.787 1.00 40.22 C ATOM 1806 C VAL A 107 -3.781 -9.606 -3.120 1.00 71.32 C ATOM 1807 O VAL A 107 -4.640 -9.052 -2.436 1.00 62.14 O ATOM 1808 CB VAL A 107 -1.270 -9.297 -3.453 1.00 15.44 C ATOM 1809 CG1 VAL A 107 -0.313 -8.135 -3.181 1.00 53.13 C ATOM 1810 CG2 VAL A 107 -1.305 -10.267 -2.270 1.00 51.41 C ATOM 0 H VAL A 107 -2.722 -7.227 -2.389 1.00 22.34 H new ATOM 0 HA VAL A 107 -2.796 -8.892 -4.865 1.00 40.22 H new ATOM 0 HB VAL A 107 -0.897 -9.841 -4.321 1.00 15.44 H new ATOM 0 HG11 VAL A 107 0.677 -8.526 -2.946 1.00 53.13 H new ATOM 0 HG12 VAL A 107 -0.252 -7.500 -4.064 1.00 53.13 H new ATOM 0 HG13 VAL A 107 -0.681 -7.550 -2.338 1.00 53.13 H new ATOM 0 HG21 VAL A 107 -0.295 -10.614 -2.054 1.00 51.41 H new ATOM 0 HG22 VAL A 107 -1.709 -9.759 -1.395 1.00 51.41 H new ATOM 0 HG23 VAL A 107 -1.936 -11.120 -2.518 1.00 51.41 H new ATOM 1820 N THR A 108 -3.725 -10.910 -3.344 1.00 21.14 N ATOM 1821 CA THR A 108 -4.714 -11.810 -2.774 1.00 55.41 C ATOM 1822 C THR A 108 -4.120 -13.209 -2.596 1.00 62.50 C ATOM 1823 O THR A 108 -3.807 -13.885 -3.575 1.00 11.44 O ATOM 1824 CB THR A 108 -5.951 -11.785 -3.674 1.00 74.21 C ATOM 1825 OG1 THR A 108 -5.992 -10.449 -4.169 1.00 40.54 O ATOM 1826 CG2 THR A 108 -7.253 -11.930 -2.884 1.00 22.42 C ATOM 0 H THR A 108 -3.011 -11.365 -3.912 1.00 21.14 H new ATOM 0 HA THR A 108 -5.014 -11.488 -1.777 1.00 55.41 H new ATOM 0 HB THR A 108 -5.882 -12.587 -4.409 1.00 74.21 H new ATOM 0 HG1 THR A 108 -6.764 -10.344 -4.763 1.00 40.54 H new ATOM 0 HG21 THR A 108 -8.100 -11.906 -3.570 1.00 22.42 H new ATOM 0 HG22 THR A 108 -7.249 -12.878 -2.346 1.00 22.42 H new ATOM 0 HG23 THR A 108 -7.340 -11.109 -2.172 1.00 22.42 H new ATOM 1834 N TYR A 109 -3.983 -13.603 -1.337 1.00 43.11 N ATOM 1835 CA TYR A 109 -3.433 -14.909 -1.018 1.00 32.00 C ATOM 1836 C TYR A 109 -4.546 -15.940 -0.823 1.00 31.13 C ATOM 1837 O TYR A 109 -5.512 -15.688 -0.104 1.00 1.41 O ATOM 1838 CB TYR A 109 -2.677 -14.737 0.301 1.00 63.54 C ATOM 1839 CG TYR A 109 -3.584 -14.620 1.528 1.00 53.43 C ATOM 1840 CD1 TYR A 109 -4.071 -13.387 1.909 1.00 61.31 C ATOM 1841 CD2 TYR A 109 -3.912 -15.748 2.252 1.00 21.34 C ATOM 1842 CE1 TYR A 109 -4.926 -13.278 3.064 1.00 51.34 C ATOM 1843 CE2 TYR A 109 -4.766 -15.637 3.407 1.00 12.40 C ATOM 1844 CZ TYR A 109 -5.231 -14.409 3.756 1.00 12.31 C ATOM 1845 OH TYR A 109 -6.037 -14.305 4.845 1.00 35.34 O ATOM 0 H TYR A 109 -4.244 -13.040 -0.527 1.00 43.11 H new ATOM 0 HA TYR A 109 -2.791 -15.263 -1.825 1.00 32.00 H new ATOM 0 HB2 TYR A 109 -2.007 -15.586 0.437 1.00 63.54 H new ATOM 0 HB3 TYR A 109 -2.053 -13.845 0.237 1.00 63.54 H new ATOM 0 HD1 TYR A 109 -3.812 -12.505 1.343 1.00 61.31 H new ATOM 0 HD2 TYR A 109 -3.529 -16.713 1.953 1.00 21.34 H new ATOM 0 HE1 TYR A 109 -5.316 -12.320 3.373 1.00 51.34 H new ATOM 0 HE2 TYR A 109 -5.031 -16.511 3.983 1.00 12.40 H new ATOM 0 HH TYR A 109 -6.170 -15.192 5.239 1.00 35.34 H new ATOM 1855 N SER A 110 -4.375 -17.080 -1.475 1.00 65.21 N ATOM 1856 CA SER A 110 -5.353 -18.151 -1.382 1.00 13.24 C ATOM 1857 C SER A 110 -4.647 -19.482 -1.112 1.00 41.23 C ATOM 1858 O SER A 110 -3.430 -19.582 -1.247 1.00 40.25 O ATOM 1859 CB SER A 110 -6.190 -18.244 -2.660 1.00 42.53 C ATOM 1860 OG SER A 110 -5.554 -17.603 -3.762 1.00 73.50 O ATOM 0 H SER A 110 -3.573 -17.286 -2.071 1.00 65.21 H new ATOM 0 HA SER A 110 -6.026 -17.929 -0.554 1.00 13.24 H new ATOM 0 HB2 SER A 110 -6.366 -19.292 -2.903 1.00 42.53 H new ATOM 0 HB3 SER A 110 -7.165 -17.788 -2.489 1.00 42.53 H new ATOM 0 HG SER A 110 -6.119 -17.686 -4.559 1.00 73.50 H new ATOM 1866 N GLY A 111 -5.445 -20.469 -0.733 1.00 54.34 N ATOM 1867 CA GLY A 111 -4.913 -21.790 -0.442 1.00 10.15 C ATOM 1868 C GLY A 111 -4.757 -22.613 -1.722 1.00 11.13 C ATOM 1869 O GLY A 111 -4.370 -23.780 -1.672 1.00 34.05 O ATOM 0 H GLY A 111 -6.455 -20.381 -0.621 1.00 54.34 H new ATOM 0 HA2 GLY A 111 -3.947 -21.696 0.054 1.00 10.15 H new ATOM 0 HA3 GLY A 111 -5.577 -22.309 0.250 1.00 10.15 H new ATOM 1873 N GLU A 112 -5.066 -21.973 -2.841 1.00 51.04 N ATOM 1874 CA GLU A 112 -4.965 -22.630 -4.132 1.00 65.25 C ATOM 1875 C GLU A 112 -4.003 -21.866 -5.044 1.00 62.14 C ATOM 1876 O GLU A 112 -3.784 -20.671 -4.857 1.00 15.24 O ATOM 1877 CB GLU A 112 -6.342 -22.773 -4.785 1.00 35.22 C ATOM 1878 CG GLU A 112 -6.763 -21.471 -5.468 1.00 43.23 C ATOM 1879 CD GLU A 112 -8.285 -21.331 -5.494 1.00 13.11 C ATOM 1880 OE1 GLU A 112 -8.816 -20.267 -5.141 1.00 1.43 O ATOM 1881 OE2 GLU A 112 -8.921 -22.378 -5.899 1.00 41.42 O ATOM 0 H GLU A 112 -5.387 -21.005 -2.879 1.00 51.04 H new ATOM 0 HA GLU A 112 -4.567 -23.633 -3.976 1.00 65.25 H new ATOM 0 HB2 GLU A 112 -6.319 -23.581 -5.517 1.00 35.22 H new ATOM 0 HB3 GLU A 112 -7.079 -23.047 -4.031 1.00 35.22 H new ATOM 0 HG2 GLU A 112 -6.326 -20.623 -4.942 1.00 43.23 H new ATOM 0 HG3 GLU A 112 -6.375 -21.449 -6.486 1.00 43.23 H new ATOM 1889 N ASN A 113 -3.454 -22.589 -6.010 1.00 71.13 N ATOM 1890 CA ASN A 113 -2.520 -21.993 -6.951 1.00 34.31 C ATOM 1891 C ASN A 113 -3.231 -21.754 -8.284 1.00 20.23 C ATOM 1892 O ASN A 113 -2.633 -21.233 -9.225 1.00 34.14 O ATOM 1893 CB ASN A 113 -1.331 -22.921 -7.208 1.00 45.03 C ATOM 1894 CG ASN A 113 -0.489 -22.419 -8.382 1.00 12.10 C ATOM 1895 OD1 ASN A 113 -0.707 -22.769 -9.531 1.00 30.35 O ATOM 1896 ND2 ASN A 113 0.483 -21.582 -8.032 1.00 31.33 N ATOM 0 H ASN A 113 -3.638 -23.581 -6.161 1.00 71.13 H new ATOM 0 HA ASN A 113 -2.161 -21.057 -6.524 1.00 34.31 H new ATOM 0 HB2 ASN A 113 -0.713 -22.983 -6.312 1.00 45.03 H new ATOM 0 HB3 ASN A 113 -1.690 -23.929 -7.418 1.00 45.03 H new ATOM 0 HD21 ASN A 113 1.101 -21.192 -8.744 1.00 31.33 H new ATOM 0 HD22 ASN A 113 0.611 -21.330 -7.052 1.00 31.33 H new ATOM 2441 N ILE B 629 4.377 -7.455 9.340 1.00 24.41 N ATOM 2442 CA ILE B 629 3.850 -7.583 7.991 1.00 43.42 C ATOM 2443 C ILE B 629 5.006 -7.813 7.016 1.00 31.11 C ATOM 2444 O ILE B 629 4.837 -7.688 5.804 1.00 23.45 O ATOM 2445 CB ILE B 629 2.979 -6.377 7.638 1.00 50.14 C ATOM 2446 CG1 ILE B 629 3.661 -5.070 8.047 1.00 52.51 C ATOM 2447 CG2 ILE B 629 1.582 -6.511 8.251 1.00 41.43 C ATOM 2448 CD1 ILE B 629 5.109 -5.031 7.558 1.00 61.41 C ATOM 0 HA ILE B 629 3.195 -8.451 7.920 1.00 43.42 H new ATOM 0 HB ILE B 629 2.855 -6.351 6.555 1.00 50.14 H new ATOM 0 HG12 ILE B 629 3.111 -4.224 7.634 1.00 52.51 H new ATOM 0 HG13 ILE B 629 3.637 -4.967 9.132 1.00 52.51 H new ATOM 0 HG21 ILE B 629 0.983 -5.640 7.985 1.00 41.43 H new ATOM 0 HG22 ILE B 629 1.102 -7.412 7.869 1.00 41.43 H new ATOM 0 HG23 ILE B 629 1.665 -6.576 9.336 1.00 41.43 H new ATOM 0 HD11 ILE B 629 5.571 -4.092 7.862 1.00 61.41 H new ATOM 0 HD12 ILE B 629 5.662 -5.864 7.992 1.00 61.41 H new ATOM 0 HD13 ILE B 629 5.128 -5.110 6.471 1.00 61.41 H new ATOM 2460 N ALA B 630 6.158 -8.142 7.581 1.00 41.41 N ATOM 2461 CA ALA B 630 7.343 -8.389 6.777 1.00 34.31 C ATOM 2462 C ALA B 630 8.494 -8.820 7.689 1.00 73.25 C ATOM 2463 O ALA B 630 9.137 -7.985 8.320 1.00 11.20 O ATOM 2464 CB ALA B 630 7.682 -7.136 5.966 1.00 15.34 C ATOM 0 H ALA B 630 6.296 -8.243 8.586 1.00 41.41 H new ATOM 0 HA ALA B 630 7.162 -9.198 6.069 1.00 34.31 H new ATOM 0 HB1 ALA B 630 8.571 -7.322 5.363 1.00 15.34 H new ATOM 0 HB2 ALA B 630 6.846 -6.888 5.312 1.00 15.34 H new ATOM 0 HB3 ALA B 630 7.871 -6.304 6.644 1.00 15.34 H new