USER MOD reduce.3.24.130724 H: found=0, std=0, add=801, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 803 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 61 TYR OH : rot 180:sc= -0.0888 USER MOD Set 1.2: A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 177:sc= -1.76 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc=-0.00433 K(o=-0.0043,f=-1.9!) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -0.228 X(o=-0.23,f=-0.68) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 52 ASN : amide:sc= -0.0154 X(o=-0.015,f=-0.019) USER MOD Single : A 53 HIS : no HD1:sc= -3.86! C(o=-3.9!,f=-2.3!) USER MOD Single : A 54 LYS NZ :NH3+ -124:sc= 0.507 (180deg=-0.0412) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=-0.051) USER MOD Single : A 59 MET CE :methyl 144:sc= -7.28! (180deg=-12.3!) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 MET CE :methyl -150:sc= -1.34 (180deg=-3.78!) USER MOD Single : A 70 HIS : no HD1:sc= -0.319 X(o=-0.32,f=0.073) USER MOD Single : A 71 TYR OH : rot 165:sc= -2.61! USER MOD Single : A 72 TYR OH : rot -65:sc= 0.54 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 LYS NZ :NH3+ -157:sc= 0 (180deg=-0.333) USER MOD Single : A 83 GLN : amide:sc= -0.755 K(o=-0.76,f=-2.8) USER MOD Single : A 90 MET CE :methyl -170:sc= -1.5 (180deg=-1.56) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc= -2.49 K(o=-2.5,f=-4.8!) USER MOD ----------------------------------------------------------------- ATOM 101 N LEU A 10 -10.168 11.281 11.528 1.00 0.00 N ATOM 102 CA LEU A 10 -8.716 11.287 11.391 1.00 0.00 C ATOM 103 C LEU A 10 -8.277 10.424 10.212 1.00 0.00 C ATOM 104 O LEU A 10 -9.078 9.686 9.637 1.00 0.00 O ATOM 105 CB LEU A 10 -8.060 10.784 12.678 1.00 0.00 C ATOM 106 CG LEU A 10 -7.844 11.828 13.774 1.00 0.00 C ATOM 107 CD1 LEU A 10 -7.212 11.191 15.002 1.00 0.00 C ATOM 108 CD2 LEU A 10 -6.981 12.971 13.259 1.00 0.00 C ATOM 0 HA LEU A 10 -8.398 12.313 11.205 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -8.674 9.981 13.085 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -7.094 10.349 12.423 1.00 0.00 H new ATOM 0 HG LEU A 10 -8.815 12.233 14.060 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -7.066 11.950 15.771 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -7.868 10.408 15.384 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -6.249 10.758 14.732 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -6.838 13.705 14.052 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -6.012 12.582 12.945 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -7.474 13.446 12.411 1.00 0.00 H new ATOM 120 N LEU A 11 -7.000 10.520 9.859 1.00 0.00 N ATOM 121 CA LEU A 11 -6.453 9.746 8.750 1.00 0.00 C ATOM 122 C LEU A 11 -5.843 8.440 9.246 1.00 0.00 C ATOM 123 O LEU A 11 -6.366 7.358 8.978 1.00 0.00 O ATOM 124 CB LEU A 11 -5.397 10.564 8.003 1.00 0.00 C ATOM 125 CG LEU A 11 -4.336 9.762 7.250 1.00 0.00 C ATOM 126 CD1 LEU A 11 -4.991 8.763 6.308 1.00 0.00 C ATOM 127 CD2 LEU A 11 -3.410 10.693 6.481 1.00 0.00 C ATOM 0 H LEU A 11 -6.324 11.126 10.324 1.00 0.00 H new ATOM 0 HA LEU A 11 -7.269 9.508 8.068 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -5.906 11.213 7.291 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -4.893 11.211 8.721 1.00 0.00 H new ATOM 0 HG LEU A 11 -3.742 9.209 7.978 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -4.220 8.201 5.780 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -5.613 8.076 6.882 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -5.610 9.296 5.586 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -2.661 10.105 5.951 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -3.991 11.273 5.763 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -2.914 11.369 7.177 1.00 0.00 H new ATOM 139 N TRP A 12 -4.735 8.548 9.971 1.00 0.00 N ATOM 140 CA TRP A 12 -4.055 7.374 10.507 1.00 0.00 C ATOM 141 C TRP A 12 -5.054 6.274 10.848 1.00 0.00 C ATOM 142 O TRP A 12 -4.808 5.097 10.587 1.00 0.00 O ATOM 143 CB TRP A 12 -3.248 7.751 11.751 1.00 0.00 C ATOM 144 CG TRP A 12 -4.056 7.729 13.013 1.00 0.00 C ATOM 145 CD1 TRP A 12 -5.049 8.599 13.365 1.00 0.00 C ATOM 146 CD2 TRP A 12 -3.940 6.793 14.090 1.00 0.00 C ATOM 147 NE1 TRP A 12 -5.556 8.260 14.596 1.00 0.00 N ATOM 148 CE2 TRP A 12 -4.893 7.155 15.061 1.00 0.00 C ATOM 149 CE3 TRP A 12 -3.124 5.684 14.327 1.00 0.00 C ATOM 150 CZ2 TRP A 12 -5.050 6.447 16.250 1.00 0.00 C ATOM 151 CZ3 TRP A 12 -3.281 4.982 15.507 1.00 0.00 C ATOM 152 CH2 TRP A 12 -4.238 5.365 16.456 1.00 0.00 C ATOM 0 H TRP A 12 -4.289 9.436 10.201 1.00 0.00 H new ATOM 0 HA TRP A 12 -3.376 6.997 9.742 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -2.409 7.063 11.853 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -2.828 8.747 11.614 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -5.386 9.431 12.764 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -6.305 8.751 15.084 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -2.384 5.381 13.601 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -5.786 6.741 16.983 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -2.655 4.123 15.701 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -4.337 4.795 17.368 1.00 0.00 H new ATOM 163 N ASP A 13 -6.182 6.666 11.432 1.00 0.00 N ATOM 164 CA ASP A 13 -7.219 5.712 11.808 1.00 0.00 C ATOM 165 C ASP A 13 -7.923 5.160 10.572 1.00 0.00 C ATOM 166 O ASP A 13 -8.098 3.950 10.433 1.00 0.00 O ATOM 167 CB ASP A 13 -8.237 6.374 12.738 1.00 0.00 C ATOM 168 CG ASP A 13 -9.385 7.012 11.979 1.00 0.00 C ATOM 169 OD1 ASP A 13 -10.231 6.266 11.444 1.00 0.00 O ATOM 170 OD2 ASP A 13 -9.436 8.258 11.922 1.00 0.00 O ATOM 0 H ASP A 13 -6.401 7.637 11.655 1.00 0.00 H new ATOM 0 HA ASP A 13 -6.744 4.884 12.333 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -8.632 5.629 13.429 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -7.736 7.133 13.339 1.00 0.00 H new ATOM 175 N TYR A 14 -8.326 6.056 9.678 1.00 0.00 N ATOM 176 CA TYR A 14 -9.015 5.660 8.455 1.00 0.00 C ATOM 177 C TYR A 14 -8.406 4.386 7.876 1.00 0.00 C ATOM 178 O TYR A 14 -9.073 3.632 7.167 1.00 0.00 O ATOM 179 CB TYR A 14 -8.951 6.785 7.421 1.00 0.00 C ATOM 180 CG TYR A 14 -9.050 6.301 5.992 1.00 0.00 C ATOM 181 CD1 TYR A 14 -10.267 5.893 5.459 1.00 0.00 C ATOM 182 CD2 TYR A 14 -7.927 6.250 5.176 1.00 0.00 C ATOM 183 CE1 TYR A 14 -10.362 5.449 4.154 1.00 0.00 C ATOM 184 CE2 TYR A 14 -8.013 5.809 3.870 1.00 0.00 C ATOM 185 CZ TYR A 14 -9.232 5.409 3.364 1.00 0.00 C ATOM 186 OH TYR A 14 -9.321 4.968 2.063 1.00 0.00 O ATOM 0 H TYR A 14 -8.188 7.062 9.777 1.00 0.00 H new ATOM 0 HA TYR A 14 -10.058 5.463 8.703 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -9.759 7.490 7.614 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -8.016 7.330 7.547 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -11.153 5.924 6.075 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -6.970 6.560 5.570 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -11.315 5.135 3.755 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -7.130 5.778 3.248 1.00 0.00 H new ATOM 0 HH TYR A 14 -8.446 5.048 1.630 1.00 0.00 H new ATOM 196 N VAL A 15 -7.134 4.153 8.183 1.00 0.00 N ATOM 197 CA VAL A 15 -6.434 2.971 7.696 1.00 0.00 C ATOM 198 C VAL A 15 -7.171 1.695 8.089 1.00 0.00 C ATOM 199 O VAL A 15 -7.725 0.999 7.238 1.00 0.00 O ATOM 200 CB VAL A 15 -4.994 2.907 8.239 1.00 0.00 C ATOM 201 CG1 VAL A 15 -4.262 1.701 7.671 1.00 0.00 C ATOM 202 CG2 VAL A 15 -4.248 4.194 7.920 1.00 0.00 C ATOM 0 H VAL A 15 -6.567 4.768 8.767 1.00 0.00 H new ATOM 0 HA VAL A 15 -6.401 3.048 6.609 1.00 0.00 H new ATOM 0 HB VAL A 15 -5.037 2.798 9.323 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -3.246 1.673 8.066 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -4.788 0.789 7.955 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -4.227 1.776 6.584 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -3.232 4.132 8.311 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -4.213 4.336 6.840 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -4.763 5.037 8.381 1.00 0.00 H new ATOM 212 N TYR A 16 -7.174 1.395 9.382 1.00 0.00 N ATOM 213 CA TYR A 16 -7.841 0.201 9.889 1.00 0.00 C ATOM 214 C TYR A 16 -9.116 -0.085 9.102 1.00 0.00 C ATOM 215 O TYR A 16 -9.268 -1.156 8.515 1.00 0.00 O ATOM 216 CB TYR A 16 -8.170 0.367 11.373 1.00 0.00 C ATOM 217 CG TYR A 16 -8.178 -0.936 12.140 1.00 0.00 C ATOM 218 CD1 TYR A 16 -7.059 -1.760 12.160 1.00 0.00 C ATOM 219 CD2 TYR A 16 -9.304 -1.344 12.845 1.00 0.00 C ATOM 220 CE1 TYR A 16 -7.061 -2.951 12.859 1.00 0.00 C ATOM 221 CE2 TYR A 16 -9.314 -2.533 13.548 1.00 0.00 C ATOM 222 CZ TYR A 16 -8.191 -3.333 13.552 1.00 0.00 C ATOM 223 OH TYR A 16 -8.198 -4.519 14.250 1.00 0.00 O ATOM 0 H TYR A 16 -6.722 1.962 10.099 1.00 0.00 H new ATOM 0 HA TYR A 16 -7.163 -0.644 9.767 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -7.442 1.041 11.825 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -9.146 0.842 11.469 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -6.172 -1.464 11.619 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -10.186 -0.721 12.843 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -6.183 -3.580 12.863 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -10.197 -2.835 14.092 1.00 0.00 H new ATOM 0 HH TYR A 16 -9.069 -4.639 14.683 1.00 0.00 H new ATOM 233 N GLN A 17 -10.029 0.881 9.095 1.00 0.00 N ATOM 234 CA GLN A 17 -11.291 0.733 8.380 1.00 0.00 C ATOM 235 C GLN A 17 -11.100 -0.070 7.098 1.00 0.00 C ATOM 236 O GLN A 17 -11.902 -0.949 6.778 1.00 0.00 O ATOM 237 CB GLN A 17 -11.880 2.107 8.053 1.00 0.00 C ATOM 238 CG GLN A 17 -12.501 2.804 9.253 1.00 0.00 C ATOM 239 CD GLN A 17 -13.928 2.363 9.510 1.00 0.00 C ATOM 240 OE1 GLN A 17 -14.305 1.231 9.205 1.00 0.00 O ATOM 241 NE2 GLN A 17 -14.731 3.258 10.074 1.00 0.00 N ATOM 0 H GLN A 17 -9.918 1.774 9.576 1.00 0.00 H new ATOM 0 HA GLN A 17 -11.984 0.192 9.025 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -11.095 2.741 7.641 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -12.637 1.993 7.277 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -11.897 2.602 10.138 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -12.481 3.882 9.093 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -14.376 4.185 10.310 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -15.703 3.019 10.271 1.00 0.00 H new ATOM 250 N LEU A 18 -10.035 0.237 6.367 1.00 0.00 N ATOM 251 CA LEU A 18 -9.738 -0.457 5.118 1.00 0.00 C ATOM 252 C LEU A 18 -9.257 -1.879 5.386 1.00 0.00 C ATOM 253 O LEU A 18 -9.851 -2.847 4.908 1.00 0.00 O ATOM 254 CB LEU A 18 -8.679 0.311 4.324 1.00 0.00 C ATOM 255 CG LEU A 18 -9.055 1.732 3.904 1.00 0.00 C ATOM 256 CD1 LEU A 18 -7.846 2.458 3.334 1.00 0.00 C ATOM 257 CD2 LEU A 18 -10.190 1.706 2.890 1.00 0.00 C ATOM 0 H LEU A 18 -9.362 0.962 6.617 1.00 0.00 H new ATOM 0 HA LEU A 18 -10.656 -0.508 4.533 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -7.769 0.359 4.922 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -8.441 -0.261 3.427 1.00 0.00 H new ATOM 0 HG LEU A 18 -9.395 2.273 4.787 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -8.133 3.468 3.041 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -7.062 2.509 4.090 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -7.475 1.918 2.463 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -10.444 2.726 2.602 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -9.877 1.148 2.008 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -11.063 1.226 3.333 1.00 0.00 H new ATOM 269 N LEU A 19 -8.180 -1.999 6.154 1.00 0.00 N ATOM 270 CA LEU A 19 -7.620 -3.304 6.488 1.00 0.00 C ATOM 271 C LEU A 19 -8.723 -4.296 6.840 1.00 0.00 C ATOM 272 O LEU A 19 -8.783 -5.395 6.288 1.00 0.00 O ATOM 273 CB LEU A 19 -6.641 -3.176 7.657 1.00 0.00 C ATOM 274 CG LEU A 19 -5.185 -2.896 7.285 1.00 0.00 C ATOM 275 CD1 LEU A 19 -4.736 -3.811 6.156 1.00 0.00 C ATOM 276 CD2 LEU A 19 -5.005 -1.437 6.894 1.00 0.00 C ATOM 0 H LEU A 19 -7.677 -1.209 6.557 1.00 0.00 H new ATOM 0 HA LEU A 19 -7.087 -3.678 5.614 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.989 -2.375 8.310 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -6.676 -4.098 8.237 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.563 -3.097 8.157 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.697 -3.597 5.905 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.826 -4.850 6.472 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -5.363 -3.643 5.280 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.962 -1.256 6.632 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.639 -1.209 6.037 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -5.285 -0.799 7.732 1.00 0.00 H new ATOM 288 N SER A 20 -9.597 -3.900 7.760 1.00 0.00 N ATOM 289 CA SER A 20 -10.698 -4.755 8.186 1.00 0.00 C ATOM 290 C SER A 20 -11.432 -5.337 6.982 1.00 0.00 C ATOM 291 O SER A 20 -11.791 -6.515 6.969 1.00 0.00 O ATOM 292 CB SER A 20 -11.675 -3.967 9.061 1.00 0.00 C ATOM 293 OG SER A 20 -12.856 -4.711 9.305 1.00 0.00 O ATOM 0 H SER A 20 -9.564 -2.992 8.224 1.00 0.00 H new ATOM 0 HA SER A 20 -10.282 -5.577 8.768 1.00 0.00 H new ATOM 0 HB2 SER A 20 -11.198 -3.715 10.008 1.00 0.00 H new ATOM 0 HB3 SER A 20 -11.929 -3.026 8.572 1.00 0.00 H new ATOM 0 HG SER A 20 -13.463 -4.186 9.867 1.00 0.00 H new ATOM 299 N ASP A 21 -11.653 -4.502 5.972 1.00 0.00 N ATOM 300 CA ASP A 21 -12.343 -4.932 4.762 1.00 0.00 C ATOM 301 C ASP A 21 -11.356 -5.492 3.743 1.00 0.00 C ATOM 302 O ASP A 21 -10.488 -4.775 3.245 1.00 0.00 O ATOM 303 CB ASP A 21 -13.119 -3.765 4.150 1.00 0.00 C ATOM 304 CG ASP A 21 -14.201 -3.241 5.074 1.00 0.00 C ATOM 305 OD1 ASP A 21 -13.875 -2.883 6.225 1.00 0.00 O ATOM 306 OD2 ASP A 21 -15.374 -3.191 4.647 1.00 0.00 O ATOM 0 H ASP A 21 -11.364 -3.524 5.968 1.00 0.00 H new ATOM 0 HA ASP A 21 -13.043 -5.721 5.034 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -12.427 -2.958 3.911 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -13.571 -4.085 3.211 1.00 0.00 H new ATOM 311 N SER A 22 -11.493 -6.779 3.438 1.00 0.00 N ATOM 312 CA SER A 22 -10.610 -7.437 2.482 1.00 0.00 C ATOM 313 C SER A 22 -10.779 -6.841 1.088 1.00 0.00 C ATOM 314 O SER A 22 -9.844 -6.835 0.286 1.00 0.00 O ATOM 315 CB SER A 22 -10.894 -8.940 2.444 1.00 0.00 C ATOM 316 OG SER A 22 -12.069 -9.219 1.704 1.00 0.00 O ATOM 0 H SER A 22 -12.207 -7.387 3.839 1.00 0.00 H new ATOM 0 HA SER A 22 -9.581 -7.277 2.805 1.00 0.00 H new ATOM 0 HB2 SER A 22 -10.047 -9.462 1.998 1.00 0.00 H new ATOM 0 HB3 SER A 22 -11.002 -9.318 3.460 1.00 0.00 H new ATOM 0 HG SER A 22 -12.227 -10.186 1.694 1.00 0.00 H new ATOM 322 N ARG A 23 -11.978 -6.342 0.805 1.00 0.00 N ATOM 323 CA ARG A 23 -12.271 -5.744 -0.492 1.00 0.00 C ATOM 324 C ARG A 23 -11.281 -4.629 -0.813 1.00 0.00 C ATOM 325 O ARG A 23 -11.132 -4.230 -1.968 1.00 0.00 O ATOM 326 CB ARG A 23 -13.699 -5.196 -0.514 1.00 0.00 C ATOM 327 CG ARG A 23 -14.767 -6.274 -0.420 1.00 0.00 C ATOM 328 CD ARG A 23 -15.139 -6.563 1.026 1.00 0.00 C ATOM 329 NE ARG A 23 -16.451 -7.195 1.137 1.00 0.00 N ATOM 330 CZ ARG A 23 -17.594 -6.562 0.894 1.00 0.00 C ATOM 331 NH1 ARG A 23 -17.586 -5.288 0.528 1.00 0.00 N ATOM 332 NH2 ARG A 23 -18.748 -7.205 1.017 1.00 0.00 N ATOM 0 H ARG A 23 -12.762 -6.340 1.457 1.00 0.00 H new ATOM 0 HA ARG A 23 -12.176 -6.520 -1.252 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -13.824 -4.499 0.315 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -13.847 -4.629 -1.433 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -15.654 -5.958 -0.969 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -14.407 -7.187 -0.894 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -14.385 -7.212 1.472 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -15.135 -5.633 1.594 1.00 0.00 H new ATOM 0 HE ARG A 23 -16.492 -8.175 1.416 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -16.701 -4.790 0.432 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -18.465 -4.805 0.342 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -18.758 -8.185 1.298 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -19.625 -6.719 0.830 1.00 0.00 H new ATOM 346 N TYR A 24 -10.608 -4.128 0.217 1.00 0.00 N ATOM 347 CA TYR A 24 -9.634 -3.056 0.046 1.00 0.00 C ATOM 348 C TYR A 24 -8.213 -3.575 0.238 1.00 0.00 C ATOM 349 O TYR A 24 -7.348 -2.869 0.755 1.00 0.00 O ATOM 350 CB TYR A 24 -9.913 -1.922 1.034 1.00 0.00 C ATOM 351 CG TYR A 24 -11.292 -1.318 0.889 1.00 0.00 C ATOM 352 CD1 TYR A 24 -12.431 -2.065 1.162 1.00 0.00 C ATOM 353 CD2 TYR A 24 -11.455 -0.001 0.478 1.00 0.00 C ATOM 354 CE1 TYR A 24 -13.693 -1.518 1.031 1.00 0.00 C ATOM 355 CE2 TYR A 24 -12.713 0.555 0.345 1.00 0.00 C ATOM 356 CZ TYR A 24 -13.828 -0.208 0.622 1.00 0.00 C ATOM 357 OH TYR A 24 -15.083 0.342 0.489 1.00 0.00 O ATOM 0 H TYR A 24 -10.719 -4.447 1.179 1.00 0.00 H new ATOM 0 HA TYR A 24 -9.727 -2.674 -0.971 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -9.796 -2.299 2.050 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -9.167 -1.140 0.896 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -12.328 -3.091 1.482 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -10.584 0.598 0.259 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -14.568 -2.113 1.248 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -12.822 1.581 0.026 1.00 0.00 H new ATOM 0 HH TYR A 24 -15.003 1.273 0.194 1.00 0.00 H new ATOM 367 N GLU A 25 -7.980 -4.814 -0.183 1.00 0.00 N ATOM 368 CA GLU A 25 -6.663 -5.429 -0.058 1.00 0.00 C ATOM 369 C GLU A 25 -5.713 -4.903 -1.129 1.00 0.00 C ATOM 370 O GLU A 25 -4.646 -4.373 -0.822 1.00 0.00 O ATOM 371 CB GLU A 25 -6.775 -6.951 -0.162 1.00 0.00 C ATOM 372 CG GLU A 25 -6.987 -7.639 1.177 1.00 0.00 C ATOM 373 CD GLU A 25 -7.110 -9.145 1.046 1.00 0.00 C ATOM 374 OE1 GLU A 25 -6.449 -9.719 0.156 1.00 0.00 O ATOM 375 OE2 GLU A 25 -7.867 -9.748 1.835 1.00 0.00 O ATOM 0 H GLU A 25 -8.686 -5.412 -0.613 1.00 0.00 H new ATOM 0 HA GLU A 25 -6.259 -5.168 0.920 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -7.603 -7.201 -0.825 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -5.868 -7.343 -0.623 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -6.154 -7.402 1.839 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -7.888 -7.244 1.646 1.00 0.00 H new ATOM 382 N ASN A 26 -6.109 -5.054 -2.389 1.00 0.00 N ATOM 383 CA ASN A 26 -5.292 -4.596 -3.507 1.00 0.00 C ATOM 384 C ASN A 26 -4.706 -3.216 -3.223 1.00 0.00 C ATOM 385 O ASN A 26 -3.558 -2.935 -3.565 1.00 0.00 O ATOM 386 CB ASN A 26 -6.125 -4.555 -4.790 1.00 0.00 C ATOM 387 CG ASN A 26 -6.907 -5.834 -5.013 1.00 0.00 C ATOM 388 OD1 ASN A 26 -6.476 -6.916 -4.613 1.00 0.00 O ATOM 389 ND2 ASN A 26 -8.064 -5.716 -5.655 1.00 0.00 N ATOM 0 H ASN A 26 -6.990 -5.490 -2.661 1.00 0.00 H new ATOM 0 HA ASN A 26 -4.470 -5.300 -3.637 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -6.816 -3.713 -4.744 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -5.467 -4.382 -5.642 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -8.634 -6.542 -5.834 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -8.382 -4.799 -5.969 1.00 0.00 H new ATOM 396 N PHE A 27 -5.504 -2.358 -2.595 1.00 0.00 N ATOM 397 CA PHE A 27 -5.065 -1.007 -2.265 1.00 0.00 C ATOM 398 C PHE A 27 -4.200 -1.008 -1.008 1.00 0.00 C ATOM 399 O PHE A 27 -3.242 -0.242 -0.901 1.00 0.00 O ATOM 400 CB PHE A 27 -6.274 -0.090 -2.066 1.00 0.00 C ATOM 401 CG PHE A 27 -7.011 0.214 -3.338 1.00 0.00 C ATOM 402 CD1 PHE A 27 -6.386 0.894 -4.371 1.00 0.00 C ATOM 403 CD2 PHE A 27 -8.330 -0.179 -3.501 1.00 0.00 C ATOM 404 CE1 PHE A 27 -7.062 1.176 -5.543 1.00 0.00 C ATOM 405 CE2 PHE A 27 -9.011 0.100 -4.671 1.00 0.00 C ATOM 406 CZ PHE A 27 -8.376 0.779 -5.693 1.00 0.00 C ATOM 0 H PHE A 27 -6.458 -2.574 -2.305 1.00 0.00 H new ATOM 0 HA PHE A 27 -4.467 -0.633 -3.096 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -6.961 -0.556 -1.360 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -5.941 0.845 -1.616 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -5.359 1.207 -4.259 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -8.831 -0.709 -2.705 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -6.563 1.706 -6.341 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -10.038 -0.212 -4.786 1.00 0.00 H new ATOM 0 HZ PHE A 27 -8.906 0.999 -6.608 1.00 0.00 H new ATOM 416 N ILE A 28 -4.546 -1.873 -0.060 1.00 0.00 N ATOM 417 CA ILE A 28 -3.801 -1.974 1.189 1.00 0.00 C ATOM 418 C ILE A 28 -4.115 -3.280 1.912 1.00 0.00 C ATOM 419 O ILE A 28 -5.278 -3.607 2.146 1.00 0.00 O ATOM 420 CB ILE A 28 -4.113 -0.793 2.127 1.00 0.00 C ATOM 421 CG1 ILE A 28 -3.236 -0.864 3.379 1.00 0.00 C ATOM 422 CG2 ILE A 28 -5.586 -0.791 2.505 1.00 0.00 C ATOM 423 CD1 ILE A 28 -3.135 0.451 4.121 1.00 0.00 C ATOM 0 H ILE A 28 -5.337 -2.513 -0.133 1.00 0.00 H new ATOM 0 HA ILE A 28 -2.743 -1.951 0.929 1.00 0.00 H new ATOM 0 HB ILE A 28 -3.892 0.137 1.603 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -3.638 -1.622 4.052 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -2.235 -1.189 3.094 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -5.790 0.050 3.168 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -6.193 -0.698 1.604 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -5.832 -1.723 3.014 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -2.498 0.327 4.997 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -2.705 1.207 3.464 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -4.129 0.768 4.437 1.00 0.00 H new ATOM 435 N ARG A 29 -3.070 -4.021 2.264 1.00 0.00 N ATOM 436 CA ARG A 29 -3.233 -5.291 2.961 1.00 0.00 C ATOM 437 C ARG A 29 -2.333 -5.356 4.191 1.00 0.00 C ATOM 438 O ARG A 29 -1.463 -4.506 4.381 1.00 0.00 O ATOM 439 CB ARG A 29 -2.918 -6.457 2.022 1.00 0.00 C ATOM 440 CG ARG A 29 -1.573 -6.330 1.325 1.00 0.00 C ATOM 441 CD ARG A 29 -1.513 -7.187 0.070 1.00 0.00 C ATOM 442 NE ARG A 29 -1.558 -8.614 0.379 1.00 0.00 N ATOM 443 CZ ARG A 29 -1.944 -9.542 -0.489 1.00 0.00 C ATOM 444 NH1 ARG A 29 -2.316 -9.195 -1.714 1.00 0.00 N ATOM 445 NH2 ARG A 29 -1.958 -10.820 -0.133 1.00 0.00 N ATOM 0 H ARG A 29 -2.101 -3.764 2.078 1.00 0.00 H new ATOM 0 HA ARG A 29 -4.270 -5.367 3.287 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -2.937 -7.386 2.591 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -3.703 -6.529 1.269 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -1.394 -5.287 1.064 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -0.778 -6.628 2.009 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -2.347 -6.931 -0.584 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -0.598 -6.963 -0.478 1.00 0.00 H new ATOM 0 HE ARG A 29 -1.278 -8.914 1.313 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -2.306 -8.213 -1.991 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -2.612 -9.910 -2.379 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -1.672 -11.090 0.808 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -2.255 -11.532 -0.800 1.00 0.00 H new ATOM 459 N TRP A 30 -2.550 -6.368 5.023 1.00 0.00 N ATOM 460 CA TRP A 30 -1.758 -6.543 6.235 1.00 0.00 C ATOM 461 C TRP A 30 -0.426 -7.217 5.923 1.00 0.00 C ATOM 462 O TRP A 30 -0.390 -8.365 5.481 1.00 0.00 O ATOM 463 CB TRP A 30 -2.534 -7.371 7.261 1.00 0.00 C ATOM 464 CG TRP A 30 -3.465 -6.553 8.103 1.00 0.00 C ATOM 465 CD1 TRP A 30 -4.824 -6.669 8.173 1.00 0.00 C ATOM 466 CD2 TRP A 30 -3.105 -5.491 8.994 1.00 0.00 C ATOM 467 NE1 TRP A 30 -5.331 -5.744 9.053 1.00 0.00 N ATOM 468 CE2 TRP A 30 -4.296 -5.010 9.571 1.00 0.00 C ATOM 469 CE3 TRP A 30 -1.893 -4.902 9.362 1.00 0.00 C ATOM 470 CZ2 TRP A 30 -4.308 -3.967 10.494 1.00 0.00 C ATOM 471 CZ3 TRP A 30 -1.905 -3.867 10.278 1.00 0.00 C ATOM 472 CH2 TRP A 30 -3.106 -3.409 10.836 1.00 0.00 C ATOM 0 H TRP A 30 -3.267 -7.079 4.881 1.00 0.00 H new ATOM 0 HA TRP A 30 -1.556 -5.556 6.652 1.00 0.00 H new ATOM 0 HB2 TRP A 30 -3.106 -8.138 6.740 1.00 0.00 H new ATOM 0 HB3 TRP A 30 -1.827 -7.887 7.910 1.00 0.00 H new ATOM 0 HD1 TRP A 30 -5.414 -7.383 7.618 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -6.317 -5.623 9.283 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -0.962 -5.249 8.938 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -5.233 -3.611 10.924 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -0.974 -3.404 10.568 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -3.083 -2.599 11.550 1.00 0.00 H new ATOM 483 N GLU A 31 0.666 -6.496 6.156 1.00 0.00 N ATOM 484 CA GLU A 31 2.000 -7.025 5.898 1.00 0.00 C ATOM 485 C GLU A 31 2.410 -8.019 6.982 1.00 0.00 C ATOM 486 O GLU A 31 2.773 -9.158 6.689 1.00 0.00 O ATOM 487 CB GLU A 31 3.019 -5.887 5.824 1.00 0.00 C ATOM 488 CG GLU A 31 2.843 -4.990 4.609 1.00 0.00 C ATOM 489 CD GLU A 31 3.029 -5.736 3.302 1.00 0.00 C ATOM 490 OE1 GLU A 31 3.994 -6.522 3.199 1.00 0.00 O ATOM 491 OE2 GLU A 31 2.210 -5.532 2.382 1.00 0.00 O ATOM 0 H GLU A 31 0.653 -5.544 6.523 1.00 0.00 H new ATOM 0 HA GLU A 31 1.977 -7.546 4.941 1.00 0.00 H new ATOM 0 HB2 GLU A 31 2.941 -5.281 6.727 1.00 0.00 H new ATOM 0 HB3 GLU A 31 4.023 -6.310 5.810 1.00 0.00 H new ATOM 0 HG2 GLU A 31 1.848 -4.546 4.631 1.00 0.00 H new ATOM 0 HG3 GLU A 31 3.559 -4.170 4.660 1.00 0.00 H new ATOM 498 N ASP A 32 2.348 -7.578 8.234 1.00 0.00 N ATOM 499 CA ASP A 32 2.712 -8.428 9.362 1.00 0.00 C ATOM 500 C ASP A 32 1.646 -8.369 10.452 1.00 0.00 C ATOM 501 O ASP A 32 1.724 -7.552 11.369 1.00 0.00 O ATOM 502 CB ASP A 32 4.066 -8.003 9.932 1.00 0.00 C ATOM 503 CG ASP A 32 4.828 -9.164 10.539 1.00 0.00 C ATOM 504 OD1 ASP A 32 4.640 -10.307 10.072 1.00 0.00 O ATOM 505 OD2 ASP A 32 5.614 -8.930 11.481 1.00 0.00 O ATOM 0 H ASP A 32 2.049 -6.638 8.493 1.00 0.00 H new ATOM 0 HA ASP A 32 2.784 -9.455 9.004 1.00 0.00 H new ATOM 0 HB2 ASP A 32 4.665 -7.553 9.140 1.00 0.00 H new ATOM 0 HB3 ASP A 32 3.913 -7.236 10.691 1.00 0.00 H new ATOM 510 N LYS A 33 0.649 -9.241 10.345 1.00 0.00 N ATOM 511 CA LYS A 33 -0.433 -9.290 11.321 1.00 0.00 C ATOM 512 C LYS A 33 0.117 -9.427 12.737 1.00 0.00 C ATOM 513 O LYS A 33 -0.463 -8.908 13.690 1.00 0.00 O ATOM 514 CB LYS A 33 -1.373 -10.458 11.012 1.00 0.00 C ATOM 515 CG LYS A 33 -2.501 -10.096 10.062 1.00 0.00 C ATOM 516 CD LYS A 33 -3.717 -9.577 10.812 1.00 0.00 C ATOM 517 CE LYS A 33 -4.967 -9.622 9.947 1.00 0.00 C ATOM 518 NZ LYS A 33 -6.205 -9.745 10.766 1.00 0.00 N ATOM 0 H LYS A 33 0.568 -9.924 9.592 1.00 0.00 H new ATOM 0 HA LYS A 33 -0.990 -8.356 11.256 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -0.794 -11.275 10.581 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -1.799 -10.827 11.945 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -2.156 -9.339 9.358 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -2.780 -10.972 9.476 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -3.874 -10.174 11.711 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -3.535 -8.553 11.137 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -5.021 -8.718 9.340 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -4.902 -10.465 9.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -7.035 -9.772 10.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -6.165 -10.620 11.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -6.281 -8.928 11.405 1.00 0.00 H new ATOM 532 N GLU A 34 1.239 -10.128 12.866 1.00 0.00 N ATOM 533 CA GLU A 34 1.866 -10.331 14.167 1.00 0.00 C ATOM 534 C GLU A 34 2.221 -8.996 14.814 1.00 0.00 C ATOM 535 O GLU A 34 2.052 -8.814 16.020 1.00 0.00 O ATOM 536 CB GLU A 34 3.124 -11.191 14.022 1.00 0.00 C ATOM 537 CG GLU A 34 4.141 -10.622 13.048 1.00 0.00 C ATOM 538 CD GLU A 34 5.513 -11.250 13.204 1.00 0.00 C ATOM 539 OE1 GLU A 34 6.206 -10.921 14.189 1.00 0.00 O ATOM 540 OE2 GLU A 34 5.893 -12.068 12.341 1.00 0.00 O ATOM 0 H GLU A 34 1.732 -10.564 12.087 1.00 0.00 H new ATOM 0 HA GLU A 34 1.153 -10.848 14.809 1.00 0.00 H new ATOM 0 HB2 GLU A 34 3.593 -11.302 15.000 1.00 0.00 H new ATOM 0 HB3 GLU A 34 2.836 -12.189 13.691 1.00 0.00 H new ATOM 0 HG2 GLU A 34 3.788 -10.777 12.028 1.00 0.00 H new ATOM 0 HG3 GLU A 34 4.219 -9.545 13.198 1.00 0.00 H new ATOM 547 N SER A 35 2.715 -8.065 14.004 1.00 0.00 N ATOM 548 CA SER A 35 3.099 -6.747 14.498 1.00 0.00 C ATOM 549 C SER A 35 2.243 -5.658 13.859 1.00 0.00 C ATOM 550 O SER A 35 2.712 -4.544 13.619 1.00 0.00 O ATOM 551 CB SER A 35 4.578 -6.483 14.212 1.00 0.00 C ATOM 552 OG SER A 35 5.405 -7.375 14.940 1.00 0.00 O ATOM 0 H SER A 35 2.859 -8.199 13.003 1.00 0.00 H new ATOM 0 HA SER A 35 2.936 -6.728 15.576 1.00 0.00 H new ATOM 0 HB2 SER A 35 4.771 -6.592 13.145 1.00 0.00 H new ATOM 0 HB3 SER A 35 4.825 -5.455 14.477 1.00 0.00 H new ATOM 0 HG SER A 35 6.346 -7.187 14.739 1.00 0.00 H new ATOM 558 N LYS A 36 0.986 -5.987 13.585 1.00 0.00 N ATOM 559 CA LYS A 36 0.062 -5.038 12.974 1.00 0.00 C ATOM 560 C LYS A 36 0.781 -4.153 11.962 1.00 0.00 C ATOM 561 O LYS A 36 0.667 -2.927 12.003 1.00 0.00 O ATOM 562 CB LYS A 36 -0.595 -4.170 14.050 1.00 0.00 C ATOM 563 CG LYS A 36 -1.750 -4.853 14.761 1.00 0.00 C ATOM 564 CD LYS A 36 -2.132 -4.120 16.036 1.00 0.00 C ATOM 565 CE LYS A 36 -3.088 -4.943 16.887 1.00 0.00 C ATOM 566 NZ LYS A 36 -4.509 -4.708 16.510 1.00 0.00 N ATOM 0 H LYS A 36 0.583 -6.904 13.776 1.00 0.00 H new ATOM 0 HA LYS A 36 -0.709 -5.605 12.452 1.00 0.00 H new ATOM 0 HB2 LYS A 36 0.157 -3.887 14.786 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -0.955 -3.249 13.592 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.612 -4.900 14.095 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -1.475 -5.880 14.999 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -1.234 -3.895 16.611 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -2.596 -3.167 15.784 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -2.853 -6.002 16.776 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -2.945 -4.693 17.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -5.128 -5.287 17.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -4.741 -3.703 16.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -4.652 -4.970 15.514 1.00 0.00 H new ATOM 580 N ILE A 37 1.520 -4.781 11.053 1.00 0.00 N ATOM 581 CA ILE A 37 2.255 -4.049 10.029 1.00 0.00 C ATOM 582 C ILE A 37 1.465 -3.984 8.726 1.00 0.00 C ATOM 583 O ILE A 37 1.091 -5.013 8.162 1.00 0.00 O ATOM 584 CB ILE A 37 3.627 -4.693 9.753 1.00 0.00 C ATOM 585 CG1 ILE A 37 4.492 -4.664 11.014 1.00 0.00 C ATOM 586 CG2 ILE A 37 4.327 -3.977 8.607 1.00 0.00 C ATOM 587 CD1 ILE A 37 5.890 -5.199 10.801 1.00 0.00 C ATOM 0 H ILE A 37 1.625 -5.794 11.005 1.00 0.00 H new ATOM 0 HA ILE A 37 2.406 -3.039 10.410 1.00 0.00 H new ATOM 0 HB ILE A 37 3.472 -5.733 9.466 1.00 0.00 H new ATOM 0 HG12 ILE A 37 4.556 -3.638 11.377 1.00 0.00 H new ATOM 0 HG13 ILE A 37 4.003 -5.248 11.793 1.00 0.00 H new ATOM 0 HG21 ILE A 37 5.295 -4.443 8.424 1.00 0.00 H new ATOM 0 HG22 ILE A 37 3.715 -4.045 7.707 1.00 0.00 H new ATOM 0 HG23 ILE A 37 4.473 -2.929 8.868 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.446 -5.148 11.737 1.00 0.00 H new ATOM 0 HD12 ILE A 37 5.836 -6.235 10.467 1.00 0.00 H new ATOM 0 HD13 ILE A 37 6.397 -4.600 10.045 1.00 0.00 H new ATOM 599 N PHE A 38 1.215 -2.768 8.252 1.00 0.00 N ATOM 600 CA PHE A 38 0.470 -2.568 7.015 1.00 0.00 C ATOM 601 C PHE A 38 1.303 -1.794 5.998 1.00 0.00 C ATOM 602 O PHE A 38 2.250 -1.095 6.358 1.00 0.00 O ATOM 603 CB PHE A 38 -0.836 -1.822 7.296 1.00 0.00 C ATOM 604 CG PHE A 38 -0.639 -0.521 8.019 1.00 0.00 C ATOM 605 CD1 PHE A 38 -0.162 -0.501 9.320 1.00 0.00 C ATOM 606 CD2 PHE A 38 -0.930 0.684 7.399 1.00 0.00 C ATOM 607 CE1 PHE A 38 0.019 0.695 9.988 1.00 0.00 C ATOM 608 CE2 PHE A 38 -0.750 1.883 8.062 1.00 0.00 C ATOM 609 CZ PHE A 38 -0.274 1.888 9.358 1.00 0.00 C ATOM 0 H PHE A 38 1.518 -1.906 8.706 1.00 0.00 H new ATOM 0 HA PHE A 38 0.238 -3.548 6.597 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -1.346 -1.630 6.352 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -1.491 -2.462 7.888 1.00 0.00 H new ATOM 0 HD1 PHE A 38 0.071 -1.431 9.818 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -1.302 0.686 6.385 1.00 0.00 H new ATOM 0 HE1 PHE A 38 0.390 0.697 11.002 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -0.981 2.815 7.567 1.00 0.00 H new ATOM 0 HZ PHE A 38 -0.131 2.824 9.878 1.00 0.00 H new ATOM 619 N ARG A 39 0.942 -1.923 4.725 1.00 0.00 N ATOM 620 CA ARG A 39 1.656 -1.238 3.655 1.00 0.00 C ATOM 621 C ARG A 39 0.701 -0.832 2.537 1.00 0.00 C ATOM 622 O ARG A 39 0.019 -1.675 1.953 1.00 0.00 O ATOM 623 CB ARG A 39 2.762 -2.134 3.095 1.00 0.00 C ATOM 624 CG ARG A 39 3.430 -1.572 1.851 1.00 0.00 C ATOM 625 CD ARG A 39 4.056 -2.673 1.009 1.00 0.00 C ATOM 626 NE ARG A 39 5.037 -3.448 1.763 1.00 0.00 N ATOM 627 CZ ARG A 39 5.485 -4.639 1.379 1.00 0.00 C ATOM 628 NH1 ARG A 39 5.041 -5.187 0.257 1.00 0.00 N ATOM 629 NH2 ARG A 39 6.378 -5.283 2.119 1.00 0.00 N ATOM 0 H ARG A 39 0.159 -2.496 4.410 1.00 0.00 H new ATOM 0 HA ARG A 39 2.105 -0.336 4.072 1.00 0.00 H new ATOM 0 HB2 ARG A 39 3.518 -2.288 3.865 1.00 0.00 H new ATOM 0 HB3 ARG A 39 2.342 -3.112 2.861 1.00 0.00 H new ATOM 0 HG2 ARG A 39 2.695 -1.030 1.255 1.00 0.00 H new ATOM 0 HG3 ARG A 39 4.197 -0.854 2.141 1.00 0.00 H new ATOM 0 HD2 ARG A 39 3.274 -3.338 0.642 1.00 0.00 H new ATOM 0 HD3 ARG A 39 4.536 -2.232 0.135 1.00 0.00 H new ATOM 0 HE ARG A 39 5.398 -3.054 2.632 1.00 0.00 H new ATOM 0 HH11 ARG A 39 4.354 -4.695 -0.314 1.00 0.00 H new ATOM 0 HH12 ARG A 39 5.386 -6.101 -0.036 1.00 0.00 H new ATOM 0 HH21 ARG A 39 6.721 -4.864 2.983 1.00 0.00 H new ATOM 0 HH22 ARG A 39 6.721 -6.197 1.824 1.00 0.00 H new ATOM 643 N ILE A 40 0.657 0.464 2.244 1.00 0.00 N ATOM 644 CA ILE A 40 -0.215 0.980 1.196 1.00 0.00 C ATOM 645 C ILE A 40 0.207 0.461 -0.175 1.00 0.00 C ATOM 646 O ILE A 40 1.047 1.060 -0.846 1.00 0.00 O ATOM 647 CB ILE A 40 -0.214 2.520 1.172 1.00 0.00 C ATOM 648 CG1 ILE A 40 -1.026 3.071 2.345 1.00 0.00 C ATOM 649 CG2 ILE A 40 -0.770 3.029 -0.150 1.00 0.00 C ATOM 650 CD1 ILE A 40 -0.952 4.576 2.478 1.00 0.00 C ATOM 0 H ILE A 40 1.215 1.175 2.717 1.00 0.00 H new ATOM 0 HA ILE A 40 -1.222 0.628 1.421 1.00 0.00 H new ATOM 0 HB ILE A 40 0.814 2.870 1.271 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -2.068 2.776 2.225 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -0.670 2.615 3.269 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -0.763 4.119 -0.152 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -0.154 2.661 -0.970 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -1.792 2.673 -0.276 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -1.551 4.896 3.330 1.00 0.00 H new ATOM 0 HD12 ILE A 40 0.084 4.877 2.630 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.336 5.041 1.570 1.00 0.00 H new ATOM 662 N VAL A 41 -0.384 -0.656 -0.585 1.00 0.00 N ATOM 663 CA VAL A 41 -0.073 -1.256 -1.877 1.00 0.00 C ATOM 664 C VAL A 41 0.068 -0.189 -2.958 1.00 0.00 C ATOM 665 O VAL A 41 0.991 -0.233 -3.771 1.00 0.00 O ATOM 666 CB VAL A 41 -1.157 -2.263 -2.305 1.00 0.00 C ATOM 667 CG1 VAL A 41 -0.803 -2.893 -3.643 1.00 0.00 C ATOM 668 CG2 VAL A 41 -1.342 -3.331 -1.237 1.00 0.00 C ATOM 0 H VAL A 41 -1.081 -1.164 -0.041 1.00 0.00 H new ATOM 0 HA VAL A 41 0.875 -1.782 -1.762 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.100 -1.728 -2.421 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.581 -3.601 -3.929 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.724 -2.115 -4.402 1.00 0.00 H new ATOM 0 HG13 VAL A 41 0.150 -3.415 -3.559 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -2.111 -4.034 -1.555 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -0.403 -3.864 -1.088 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -1.645 -2.861 -0.301 1.00 0.00 H new ATOM 678 N ASP A 42 -0.852 0.768 -2.960 1.00 0.00 N ATOM 679 CA ASP A 42 -0.830 1.848 -3.940 1.00 0.00 C ATOM 680 C ASP A 42 -1.389 3.136 -3.342 1.00 0.00 C ATOM 681 O ASP A 42 -2.565 3.225 -2.987 1.00 0.00 O ATOM 682 CB ASP A 42 -1.634 1.456 -5.180 1.00 0.00 C ATOM 683 CG ASP A 42 -1.535 2.490 -6.285 1.00 0.00 C ATOM 684 OD1 ASP A 42 -1.341 3.682 -5.966 1.00 0.00 O ATOM 685 OD2 ASP A 42 -1.652 2.108 -7.468 1.00 0.00 O ATOM 0 H ASP A 42 -1.623 0.819 -2.294 1.00 0.00 H new ATOM 0 HA ASP A 42 0.206 2.023 -4.229 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -1.277 0.496 -5.552 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -2.680 1.322 -4.904 1.00 0.00 H new ATOM 690 N PRO A 43 -0.528 4.157 -3.226 1.00 0.00 N ATOM 691 CA PRO A 43 -0.913 5.458 -2.671 1.00 0.00 C ATOM 692 C PRO A 43 -1.853 6.227 -3.594 1.00 0.00 C ATOM 693 O PRO A 43 -2.686 7.008 -3.135 1.00 0.00 O ATOM 694 CB PRO A 43 0.422 6.195 -2.534 1.00 0.00 C ATOM 695 CG PRO A 43 1.309 5.563 -3.551 1.00 0.00 C ATOM 696 CD PRO A 43 0.888 4.121 -3.629 1.00 0.00 C ATOM 0 HA PRO A 43 -1.457 5.355 -1.732 1.00 0.00 H new ATOM 0 HB2 PRO A 43 0.306 7.263 -2.719 1.00 0.00 H new ATOM 0 HB3 PRO A 43 0.832 6.088 -1.530 1.00 0.00 H new ATOM 0 HG2 PRO A 43 1.204 6.053 -4.519 1.00 0.00 H new ATOM 0 HG3 PRO A 43 2.357 5.649 -3.262 1.00 0.00 H new ATOM 0 HD2 PRO A 43 1.009 3.721 -4.636 1.00 0.00 H new ATOM 0 HD3 PRO A 43 1.480 3.493 -2.963 1.00 0.00 H new ATOM 704 N ASN A 44 -1.713 6.000 -4.896 1.00 0.00 N ATOM 705 CA ASN A 44 -2.551 6.672 -5.883 1.00 0.00 C ATOM 706 C ASN A 44 -4.000 6.208 -5.772 1.00 0.00 C ATOM 707 O ASN A 44 -4.930 6.993 -5.954 1.00 0.00 O ATOM 708 CB ASN A 44 -2.024 6.406 -7.294 1.00 0.00 C ATOM 709 CG ASN A 44 -2.909 7.014 -8.365 1.00 0.00 C ATOM 710 OD1 ASN A 44 -3.868 6.391 -8.822 1.00 0.00 O ATOM 711 ND2 ASN A 44 -2.590 8.237 -8.772 1.00 0.00 N ATOM 0 H ASN A 44 -1.028 5.356 -5.292 1.00 0.00 H new ATOM 0 HA ASN A 44 -2.516 7.743 -5.685 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -1.017 6.812 -7.385 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -1.950 5.330 -7.455 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -3.148 8.697 -9.491 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -1.787 8.716 -8.366 1.00 0.00 H new ATOM 718 N GLY A 45 -4.184 4.926 -5.473 1.00 0.00 N ATOM 719 CA GLY A 45 -5.523 4.379 -5.343 1.00 0.00 C ATOM 720 C GLY A 45 -6.060 4.491 -3.930 1.00 0.00 C ATOM 721 O GLY A 45 -7.248 4.746 -3.728 1.00 0.00 O ATOM 0 H GLY A 45 -3.431 4.256 -5.318 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -6.193 4.901 -6.026 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -5.515 3.331 -5.643 1.00 0.00 H new ATOM 725 N LEU A 46 -5.185 4.299 -2.949 1.00 0.00 N ATOM 726 CA LEU A 46 -5.579 4.378 -1.547 1.00 0.00 C ATOM 727 C LEU A 46 -6.070 5.780 -1.198 1.00 0.00 C ATOM 728 O LEU A 46 -7.186 5.953 -0.708 1.00 0.00 O ATOM 729 CB LEU A 46 -4.404 3.998 -0.645 1.00 0.00 C ATOM 730 CG LEU A 46 -4.758 3.604 0.790 1.00 0.00 C ATOM 731 CD1 LEU A 46 -5.398 4.774 1.522 1.00 0.00 C ATOM 732 CD2 LEU A 46 -5.685 2.397 0.798 1.00 0.00 C ATOM 0 H LEU A 46 -4.198 4.088 -3.099 1.00 0.00 H new ATOM 0 HA LEU A 46 -6.396 3.675 -1.384 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.871 3.167 -1.107 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -3.713 4.840 -0.609 1.00 0.00 H new ATOM 0 HG LEU A 46 -3.839 3.335 1.310 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -5.643 4.475 2.541 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -4.702 5.612 1.547 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -6.308 5.074 1.003 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -5.926 2.131 1.827 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -6.602 2.639 0.261 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -5.191 1.556 0.312 1.00 0.00 H new ATOM 744 N ALA A 47 -5.230 6.777 -1.455 1.00 0.00 N ATOM 745 CA ALA A 47 -5.581 8.163 -1.172 1.00 0.00 C ATOM 746 C ALA A 47 -6.955 8.508 -1.736 1.00 0.00 C ATOM 747 O ALA A 47 -7.791 9.091 -1.046 1.00 0.00 O ATOM 748 CB ALA A 47 -4.525 9.101 -1.739 1.00 0.00 C ATOM 0 H ALA A 47 -4.302 6.651 -1.859 1.00 0.00 H new ATOM 0 HA ALA A 47 -5.620 8.288 -0.090 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -4.800 10.133 -1.520 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -3.559 8.879 -1.285 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -4.459 8.964 -2.818 1.00 0.00 H new ATOM 754 N ARG A 48 -7.181 8.145 -2.994 1.00 0.00 N ATOM 755 CA ARG A 48 -8.454 8.418 -3.651 1.00 0.00 C ATOM 756 C ARG A 48 -9.619 8.200 -2.691 1.00 0.00 C ATOM 757 O ARG A 48 -10.486 9.062 -2.543 1.00 0.00 O ATOM 758 CB ARG A 48 -8.618 7.525 -4.882 1.00 0.00 C ATOM 759 CG ARG A 48 -7.996 8.104 -6.142 1.00 0.00 C ATOM 760 CD ARG A 48 -8.608 7.497 -7.395 1.00 0.00 C ATOM 761 NE ARG A 48 -9.771 8.250 -7.857 1.00 0.00 N ATOM 762 CZ ARG A 48 -10.738 7.726 -8.601 1.00 0.00 C ATOM 763 NH1 ARG A 48 -10.683 6.453 -8.965 1.00 0.00 N ATOM 764 NH2 ARG A 48 -11.765 8.476 -8.981 1.00 0.00 N ATOM 0 H ARG A 48 -6.500 7.661 -3.579 1.00 0.00 H new ATOM 0 HA ARG A 48 -8.456 9.462 -3.965 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -8.168 6.554 -4.678 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -9.680 7.354 -5.057 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -8.136 9.185 -6.154 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -6.921 7.922 -6.136 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -7.859 7.466 -8.186 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -8.900 6.467 -7.193 1.00 0.00 H new ATOM 0 HE ARG A 48 -9.844 9.233 -7.594 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -9.896 5.873 -8.674 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -11.427 6.053 -9.537 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -11.812 9.456 -8.702 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -12.507 8.073 -9.553 1.00 0.00 H new ATOM 778 N LEU A 49 -9.634 7.041 -2.041 1.00 0.00 N ATOM 779 CA LEU A 49 -10.693 6.708 -1.095 1.00 0.00 C ATOM 780 C LEU A 49 -10.692 7.675 0.086 1.00 0.00 C ATOM 781 O LEU A 49 -11.746 8.137 0.522 1.00 0.00 O ATOM 782 CB LEU A 49 -10.524 5.273 -0.594 1.00 0.00 C ATOM 783 CG LEU A 49 -10.699 4.172 -1.640 1.00 0.00 C ATOM 784 CD1 LEU A 49 -10.120 2.859 -1.135 1.00 0.00 C ATOM 785 CD2 LEU A 49 -12.168 4.006 -1.999 1.00 0.00 C ATOM 0 H LEU A 49 -8.925 6.316 -2.152 1.00 0.00 H new ATOM 0 HA LEU A 49 -11.649 6.795 -1.612 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -9.530 5.177 -0.157 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -11.243 5.102 0.208 1.00 0.00 H new ATOM 0 HG LEU A 49 -10.156 4.463 -2.540 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -10.254 2.087 -1.893 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -9.057 2.985 -0.929 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -10.634 2.563 -0.221 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -12.274 3.218 -2.745 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -12.733 3.738 -1.106 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -12.552 4.942 -2.404 1.00 0.00 H new ATOM 797 N TRP A 50 -9.504 7.976 0.596 1.00 0.00 N ATOM 798 CA TRP A 50 -9.366 8.889 1.724 1.00 0.00 C ATOM 799 C TRP A 50 -9.859 10.285 1.359 1.00 0.00 C ATOM 800 O TRP A 50 -10.804 10.796 1.958 1.00 0.00 O ATOM 801 CB TRP A 50 -7.907 8.954 2.180 1.00 0.00 C ATOM 802 CG TRP A 50 -7.561 10.230 2.885 1.00 0.00 C ATOM 803 CD1 TRP A 50 -6.886 11.297 2.365 1.00 0.00 C ATOM 804 CD2 TRP A 50 -7.870 10.571 4.241 1.00 0.00 C ATOM 805 NE1 TRP A 50 -6.758 12.281 3.315 1.00 0.00 N ATOM 806 CE2 TRP A 50 -7.354 11.860 4.475 1.00 0.00 C ATOM 807 CE3 TRP A 50 -8.534 9.913 5.280 1.00 0.00 C ATOM 808 CZ2 TRP A 50 -7.481 12.501 5.704 1.00 0.00 C ATOM 809 CZ3 TRP A 50 -8.660 10.551 6.499 1.00 0.00 C ATOM 810 CH2 TRP A 50 -8.136 11.834 6.703 1.00 0.00 C ATOM 0 H TRP A 50 -8.622 7.601 0.246 1.00 0.00 H new ATOM 0 HA TRP A 50 -9.979 8.510 2.542 1.00 0.00 H new ATOM 0 HB2 TRP A 50 -7.704 8.114 2.844 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -7.257 8.839 1.312 1.00 0.00 H new ATOM 0 HD1 TRP A 50 -6.508 11.358 1.355 1.00 0.00 H new ATOM 0 HE1 TRP A 50 -6.294 13.179 3.179 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -8.941 8.924 5.133 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 -7.077 13.490 5.863 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -9.171 10.052 7.309 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -8.251 12.306 7.668 1.00 0.00 H new ATOM 821 N GLY A 51 -9.213 10.897 0.371 1.00 0.00 N ATOM 822 CA GLY A 51 -9.601 12.228 -0.057 1.00 0.00 C ATOM 823 C GLY A 51 -11.013 12.271 -0.608 1.00 0.00 C ATOM 824 O GLY A 51 -11.795 13.155 -0.259 1.00 0.00 O ATOM 0 H GLY A 51 -8.428 10.494 -0.141 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.522 12.915 0.786 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -8.906 12.578 -0.820 1.00 0.00 H new ATOM 828 N ASN A 52 -11.339 11.316 -1.472 1.00 0.00 N ATOM 829 CA ASN A 52 -12.666 11.250 -2.073 1.00 0.00 C ATOM 830 C ASN A 52 -13.733 11.726 -1.092 1.00 0.00 C ATOM 831 O ASN A 52 -14.350 12.774 -1.290 1.00 0.00 O ATOM 832 CB ASN A 52 -12.974 9.820 -2.524 1.00 0.00 C ATOM 833 CG ASN A 52 -14.450 9.607 -2.801 1.00 0.00 C ATOM 834 OD1 ASN A 52 -15.059 10.342 -3.578 1.00 0.00 O ATOM 835 ND2 ASN A 52 -15.031 8.596 -2.165 1.00 0.00 N ATOM 0 H ASN A 52 -10.703 10.577 -1.772 1.00 0.00 H new ATOM 0 HA ASN A 52 -12.677 11.909 -2.941 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -12.402 9.594 -3.424 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -12.647 9.121 -1.755 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -16.022 8.403 -2.312 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -14.486 8.013 -1.530 1.00 0.00 H new ATOM 842 N HIS A 53 -13.944 10.951 -0.033 1.00 0.00 N ATOM 843 CA HIS A 53 -14.935 11.295 0.980 1.00 0.00 C ATOM 844 C HIS A 53 -14.574 12.606 1.671 1.00 0.00 C ATOM 845 O HIS A 53 -15.449 13.339 2.132 1.00 0.00 O ATOM 846 CB HIS A 53 -15.048 10.174 2.014 1.00 0.00 C ATOM 847 CG HIS A 53 -14.068 10.297 3.140 1.00 0.00 C ATOM 848 ND1 HIS A 53 -13.131 9.329 3.432 1.00 0.00 N ATOM 849 CD2 HIS A 53 -13.883 11.284 4.048 1.00 0.00 C ATOM 850 CE1 HIS A 53 -12.412 9.714 4.471 1.00 0.00 C ATOM 851 NE2 HIS A 53 -12.848 10.897 4.864 1.00 0.00 N ATOM 0 H HIS A 53 -13.442 10.081 0.146 1.00 0.00 H new ATOM 0 HA HIS A 53 -15.897 11.420 0.484 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -16.059 10.168 2.422 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -14.899 9.216 1.517 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -14.444 12.204 4.118 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -11.605 9.156 4.922 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -12.477 11.436 5.646 1.00 0.00 H new ATOM 860 N LYS A 54 -13.279 12.895 1.740 1.00 0.00 N ATOM 861 CA LYS A 54 -12.800 14.118 2.375 1.00 0.00 C ATOM 862 C LYS A 54 -13.267 15.349 1.604 1.00 0.00 C ATOM 863 O LYS A 54 -13.046 16.481 2.032 1.00 0.00 O ATOM 864 CB LYS A 54 -11.272 14.107 2.463 1.00 0.00 C ATOM 865 CG LYS A 54 -10.729 14.819 3.689 1.00 0.00 C ATOM 866 CD LYS A 54 -11.284 14.223 4.972 1.00 0.00 C ATOM 867 CE LYS A 54 -10.292 14.345 6.118 1.00 0.00 C ATOM 868 NZ LYS A 54 -10.763 13.632 7.338 1.00 0.00 N ATOM 0 H LYS A 54 -12.542 12.299 1.364 1.00 0.00 H new ATOM 0 HA LYS A 54 -13.215 14.162 3.382 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -10.924 13.074 2.469 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -10.861 14.576 1.569 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -9.641 14.753 3.697 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -10.984 15.878 3.639 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -12.212 14.729 5.238 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -11.528 13.173 4.811 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -9.329 13.939 5.809 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -10.134 15.398 6.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -10.791 14.295 8.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -11.716 13.250 7.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -10.111 12.852 7.558 1.00 0.00 H new ATOM 882 N ASN A 55 -13.914 15.119 0.466 1.00 0.00 N ATOM 883 CA ASN A 55 -14.413 16.210 -0.363 1.00 0.00 C ATOM 884 C ASN A 55 -13.272 17.118 -0.811 1.00 0.00 C ATOM 885 O ASN A 55 -13.386 18.343 -0.766 1.00 0.00 O ATOM 886 CB ASN A 55 -15.458 17.024 0.403 1.00 0.00 C ATOM 887 CG ASN A 55 -16.592 16.164 0.924 1.00 0.00 C ATOM 888 OD1 ASN A 55 -17.355 15.587 0.150 1.00 0.00 O ATOM 889 ND2 ASN A 55 -16.708 16.075 2.244 1.00 0.00 N ATOM 0 H ASN A 55 -14.105 14.187 0.097 1.00 0.00 H new ATOM 0 HA ASN A 55 -14.878 15.777 -1.249 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -14.977 17.532 1.239 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -15.862 17.797 -0.250 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -17.453 15.511 2.654 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -16.053 16.571 2.848 1.00 0.00 H new ATOM 896 N ARG A 56 -12.172 16.509 -1.242 1.00 0.00 N ATOM 897 CA ARG A 56 -11.010 17.263 -1.697 1.00 0.00 C ATOM 898 C ARG A 56 -10.979 17.347 -3.220 1.00 0.00 C ATOM 899 O ARG A 56 -11.922 16.933 -3.895 1.00 0.00 O ATOM 900 CB ARG A 56 -9.723 16.614 -1.185 1.00 0.00 C ATOM 901 CG ARG A 56 -9.631 15.126 -1.480 1.00 0.00 C ATOM 902 CD ARG A 56 -10.180 14.797 -2.860 1.00 0.00 C ATOM 903 NE ARG A 56 -9.958 13.399 -3.218 1.00 0.00 N ATOM 904 CZ ARG A 56 -10.095 12.926 -4.452 1.00 0.00 C ATOM 905 NH1 ARG A 56 -10.451 13.735 -5.440 1.00 0.00 N ATOM 906 NH2 ARG A 56 -9.876 11.641 -4.699 1.00 0.00 N ATOM 0 H ARG A 56 -12.061 15.496 -1.286 1.00 0.00 H new ATOM 0 HA ARG A 56 -11.084 18.274 -1.296 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -8.868 17.118 -1.635 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -9.653 16.767 -0.108 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -8.592 14.804 -1.415 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -10.185 14.569 -0.724 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -11.248 15.013 -2.886 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -9.707 15.441 -3.601 1.00 0.00 H new ATOM 0 HE ARG A 56 -9.683 12.750 -2.481 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -10.620 14.723 -5.254 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -10.555 13.369 -6.386 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -9.602 11.015 -3.941 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -9.981 11.279 -5.647 1.00 0.00 H new ATOM 920 N THR A 57 -9.888 17.887 -3.756 1.00 0.00 N ATOM 921 CA THR A 57 -9.735 18.027 -5.198 1.00 0.00 C ATOM 922 C THR A 57 -8.414 17.430 -5.671 1.00 0.00 C ATOM 923 O THR A 57 -7.389 18.109 -5.694 1.00 0.00 O ATOM 924 CB THR A 57 -9.801 19.505 -5.629 1.00 0.00 C ATOM 925 OG1 THR A 57 -11.082 20.054 -5.301 1.00 0.00 O ATOM 926 CG2 THR A 57 -9.551 19.645 -7.123 1.00 0.00 C ATOM 0 H THR A 57 -9.098 18.234 -3.212 1.00 0.00 H new ATOM 0 HA THR A 57 -10.561 17.485 -5.658 1.00 0.00 H new ATOM 0 HB THR A 57 -9.024 20.051 -5.094 1.00 0.00 H new ATOM 0 HG1 THR A 57 -11.115 20.994 -5.576 1.00 0.00 H new ATOM 0 HG21 THR A 57 -9.603 20.697 -7.404 1.00 0.00 H new ATOM 0 HG22 THR A 57 -8.563 19.253 -7.365 1.00 0.00 H new ATOM 0 HG23 THR A 57 -10.308 19.085 -7.673 1.00 0.00 H new ATOM 934 N ASN A 58 -8.448 16.156 -6.049 1.00 0.00 N ATOM 935 CA ASN A 58 -7.253 15.468 -6.522 1.00 0.00 C ATOM 936 C ASN A 58 -6.318 15.140 -5.361 1.00 0.00 C ATOM 937 O ASN A 58 -5.130 15.456 -5.400 1.00 0.00 O ATOM 938 CB ASN A 58 -6.519 16.326 -7.555 1.00 0.00 C ATOM 939 CG ASN A 58 -5.720 15.492 -8.537 1.00 0.00 C ATOM 940 OD1 ASN A 58 -6.267 14.632 -9.228 1.00 0.00 O ATOM 941 ND2 ASN A 58 -4.418 15.742 -8.603 1.00 0.00 N ATOM 0 H ASN A 58 -9.290 15.580 -6.037 1.00 0.00 H new ATOM 0 HA ASN A 58 -7.564 14.534 -6.990 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -7.243 16.931 -8.101 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -5.850 17.016 -7.041 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -3.829 15.212 -9.245 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -4.007 16.464 -8.012 1.00 0.00 H new ATOM 948 N MET A 59 -6.865 14.504 -4.330 1.00 0.00 N ATOM 949 CA MET A 59 -6.080 14.132 -3.159 1.00 0.00 C ATOM 950 C MET A 59 -4.668 13.717 -3.561 1.00 0.00 C ATOM 951 O MET A 59 -4.477 12.980 -4.529 1.00 0.00 O ATOM 952 CB MET A 59 -6.763 12.991 -2.402 1.00 0.00 C ATOM 953 CG MET A 59 -6.161 12.725 -1.032 1.00 0.00 C ATOM 954 SD MET A 59 -5.889 14.237 -0.087 1.00 0.00 S ATOM 955 CE MET A 59 -7.304 14.210 1.011 1.00 0.00 C ATOM 0 H MET A 59 -7.848 14.236 -4.282 1.00 0.00 H new ATOM 0 HA MET A 59 -6.012 15.002 -2.506 1.00 0.00 H new ATOM 0 HB2 MET A 59 -7.821 13.225 -2.286 1.00 0.00 H new ATOM 0 HB3 MET A 59 -6.702 12.081 -3.000 1.00 0.00 H new ATOM 0 HG2 MET A 59 -6.822 12.065 -0.471 1.00 0.00 H new ATOM 0 HG3 MET A 59 -5.213 12.200 -1.152 1.00 0.00 H new ATOM 0 HE1 MET A 59 -7.016 14.605 1.985 1.00 0.00 H new ATOM 0 HE2 MET A 59 -8.102 14.823 0.592 1.00 0.00 H new ATOM 0 HE3 MET A 59 -7.657 13.185 1.125 1.00 0.00 H new ATOM 965 N THR A 60 -3.679 14.195 -2.811 1.00 0.00 N ATOM 966 CA THR A 60 -2.285 13.875 -3.089 1.00 0.00 C ATOM 967 C THR A 60 -1.632 13.180 -1.900 1.00 0.00 C ATOM 968 O THR A 60 -1.757 13.629 -0.761 1.00 0.00 O ATOM 969 CB THR A 60 -1.477 15.140 -3.437 1.00 0.00 C ATOM 970 OG1 THR A 60 -0.076 14.843 -3.434 1.00 0.00 O ATOM 971 CG2 THR A 60 -1.767 16.257 -2.446 1.00 0.00 C ATOM 0 H THR A 60 -3.819 14.806 -2.006 1.00 0.00 H new ATOM 0 HA THR A 60 -2.280 13.202 -3.947 1.00 0.00 H new ATOM 0 HB THR A 60 -1.775 15.473 -4.431 1.00 0.00 H new ATOM 0 HG1 THR A 60 0.430 15.652 -3.658 1.00 0.00 H new ATOM 0 HG21 THR A 60 -1.185 17.140 -2.712 1.00 0.00 H new ATOM 0 HG22 THR A 60 -2.829 16.501 -2.473 1.00 0.00 H new ATOM 0 HG23 THR A 60 -1.495 15.932 -1.442 1.00 0.00 H new ATOM 979 N TYR A 61 -0.935 12.083 -2.172 1.00 0.00 N ATOM 980 CA TYR A 61 -0.263 11.325 -1.124 1.00 0.00 C ATOM 981 C TYR A 61 0.568 12.244 -0.234 1.00 0.00 C ATOM 982 O TYR A 61 0.664 12.035 0.975 1.00 0.00 O ATOM 983 CB TYR A 61 0.631 10.246 -1.738 1.00 0.00 C ATOM 984 CG TYR A 61 1.390 9.433 -0.714 1.00 0.00 C ATOM 985 CD1 TYR A 61 0.719 8.613 0.186 1.00 0.00 C ATOM 986 CD2 TYR A 61 2.776 9.484 -0.645 1.00 0.00 C ATOM 987 CE1 TYR A 61 1.408 7.868 1.124 1.00 0.00 C ATOM 988 CE2 TYR A 61 3.473 8.742 0.289 1.00 0.00 C ATOM 989 CZ TYR A 61 2.784 7.936 1.171 1.00 0.00 C ATOM 990 OH TYR A 61 3.475 7.196 2.104 1.00 0.00 O ATOM 0 H TYR A 61 -0.821 11.699 -3.110 1.00 0.00 H new ATOM 0 HA TYR A 61 -1.027 10.848 -0.510 1.00 0.00 H new ATOM 0 HB2 TYR A 61 0.016 9.576 -2.339 1.00 0.00 H new ATOM 0 HB3 TYR A 61 1.343 10.718 -2.415 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -0.359 8.557 0.152 1.00 0.00 H new ATOM 0 HD2 TYR A 61 3.319 10.115 -1.334 1.00 0.00 H new ATOM 0 HE1 TYR A 61 0.872 7.236 1.816 1.00 0.00 H new ATOM 0 HE2 TYR A 61 4.551 8.793 0.328 1.00 0.00 H new ATOM 0 HH TYR A 61 4.436 7.357 2.002 1.00 0.00 H new ATOM 1000 N GLU A 62 1.167 13.263 -0.842 1.00 0.00 N ATOM 1001 CA GLU A 62 1.991 14.215 -0.106 1.00 0.00 C ATOM 1002 C GLU A 62 1.202 14.845 1.038 1.00 0.00 C ATOM 1003 O GLU A 62 1.714 15.007 2.146 1.00 0.00 O ATOM 1004 CB GLU A 62 2.511 15.306 -1.044 1.00 0.00 C ATOM 1005 CG GLU A 62 3.489 16.262 -0.382 1.00 0.00 C ATOM 1006 CD GLU A 62 3.554 17.606 -1.080 1.00 0.00 C ATOM 1007 OE1 GLU A 62 4.096 17.666 -2.204 1.00 0.00 O ATOM 1008 OE2 GLU A 62 3.063 18.599 -0.503 1.00 0.00 O ATOM 0 H GLU A 62 1.097 13.451 -1.842 1.00 0.00 H new ATOM 0 HA GLU A 62 2.839 13.674 0.314 1.00 0.00 H new ATOM 0 HB2 GLU A 62 2.997 14.837 -1.899 1.00 0.00 H new ATOM 0 HB3 GLU A 62 1.665 15.875 -1.431 1.00 0.00 H new ATOM 0 HG2 GLU A 62 3.198 16.411 0.658 1.00 0.00 H new ATOM 0 HG3 GLU A 62 4.482 15.812 -0.374 1.00 0.00 H new ATOM 1015 N LYS A 63 -0.048 15.201 0.761 1.00 0.00 N ATOM 1016 CA LYS A 63 -0.910 15.814 1.765 1.00 0.00 C ATOM 1017 C LYS A 63 -1.537 14.753 2.665 1.00 0.00 C ATOM 1018 O LYS A 63 -2.155 15.074 3.679 1.00 0.00 O ATOM 1019 CB LYS A 63 -2.008 16.638 1.089 1.00 0.00 C ATOM 1020 CG LYS A 63 -1.479 17.811 0.282 1.00 0.00 C ATOM 1021 CD LYS A 63 -2.580 18.469 -0.532 1.00 0.00 C ATOM 1022 CE LYS A 63 -3.571 19.201 0.359 1.00 0.00 C ATOM 1023 NZ LYS A 63 -4.924 19.273 -0.258 1.00 0.00 N ATOM 0 H LYS A 63 -0.487 15.075 -0.151 1.00 0.00 H new ATOM 0 HA LYS A 63 -0.297 16.472 2.381 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -2.586 15.988 0.433 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -2.692 17.011 1.851 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -1.034 18.545 0.954 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -0.688 17.468 -0.385 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -2.140 19.170 -1.241 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -3.104 17.712 -1.116 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -3.637 18.694 1.321 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -3.207 20.210 0.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -5.570 19.779 0.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -4.866 19.779 -1.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -5.283 18.311 -0.422 1.00 0.00 H new ATOM 1037 N MET A 64 -1.371 13.490 2.287 1.00 0.00 N ATOM 1038 CA MET A 64 -1.918 12.383 3.062 1.00 0.00 C ATOM 1039 C MET A 64 -0.929 11.924 4.128 1.00 0.00 C ATOM 1040 O MET A 64 -1.232 11.949 5.321 1.00 0.00 O ATOM 1041 CB MET A 64 -2.271 11.213 2.141 1.00 0.00 C ATOM 1042 CG MET A 64 -3.154 10.166 2.800 1.00 0.00 C ATOM 1043 SD MET A 64 -3.776 8.944 1.628 1.00 0.00 S ATOM 1044 CE MET A 64 -3.116 7.435 2.331 1.00 0.00 C ATOM 0 H MET A 64 -0.862 13.208 1.449 1.00 0.00 H new ATOM 0 HA MET A 64 -2.823 12.733 3.558 1.00 0.00 H new ATOM 0 HB2 MET A 64 -2.777 11.598 1.256 1.00 0.00 H new ATOM 0 HB3 MET A 64 -1.351 10.738 1.801 1.00 0.00 H new ATOM 0 HG2 MET A 64 -2.588 9.659 3.582 1.00 0.00 H new ATOM 0 HG3 MET A 64 -3.996 10.660 3.285 1.00 0.00 H new ATOM 0 HE1 MET A 64 -2.932 6.713 1.535 1.00 0.00 H new ATOM 0 HE2 MET A 64 -2.181 7.653 2.847 1.00 0.00 H new ATOM 0 HE3 MET A 64 -3.833 7.019 3.039 1.00 0.00 H new ATOM 1054 N SER A 65 0.255 11.506 3.691 1.00 0.00 N ATOM 1055 CA SER A 65 1.287 11.038 4.609 1.00 0.00 C ATOM 1056 C SER A 65 1.556 12.073 5.697 1.00 0.00 C ATOM 1057 O SER A 65 1.843 11.725 6.842 1.00 0.00 O ATOM 1058 CB SER A 65 2.578 10.736 3.846 1.00 0.00 C ATOM 1059 OG SER A 65 3.373 9.793 4.543 1.00 0.00 O ATOM 0 H SER A 65 0.523 11.482 2.707 1.00 0.00 H new ATOM 0 HA SER A 65 0.930 10.123 5.082 1.00 0.00 H new ATOM 0 HB2 SER A 65 2.337 10.351 2.855 1.00 0.00 H new ATOM 0 HB3 SER A 65 3.143 11.657 3.702 1.00 0.00 H new ATOM 0 HG SER A 65 4.192 9.616 4.034 1.00 0.00 H new ATOM 1065 N ARG A 66 1.461 13.347 5.330 1.00 0.00 N ATOM 1066 CA ARG A 66 1.695 14.433 6.273 1.00 0.00 C ATOM 1067 C ARG A 66 1.152 14.080 7.655 1.00 0.00 C ATOM 1068 O ARG A 66 1.704 14.494 8.674 1.00 0.00 O ATOM 1069 CB ARG A 66 1.043 15.723 5.771 1.00 0.00 C ATOM 1070 CG ARG A 66 1.958 16.571 4.904 1.00 0.00 C ATOM 1071 CD ARG A 66 2.749 17.567 5.738 1.00 0.00 C ATOM 1072 NE ARG A 66 3.239 18.685 4.936 1.00 0.00 N ATOM 1073 CZ ARG A 66 4.337 18.629 4.190 1.00 0.00 C ATOM 1074 NH1 ARG A 66 5.055 17.515 4.144 1.00 0.00 N ATOM 1075 NH2 ARG A 66 4.719 19.688 3.488 1.00 0.00 N ATOM 0 H ARG A 66 1.224 13.652 4.386 1.00 0.00 H new ATOM 0 HA ARG A 66 2.771 14.585 6.353 1.00 0.00 H new ATOM 0 HB2 ARG A 66 0.149 15.470 5.201 1.00 0.00 H new ATOM 0 HB3 ARG A 66 0.719 16.313 6.628 1.00 0.00 H new ATOM 0 HG2 ARG A 66 2.645 15.925 4.358 1.00 0.00 H new ATOM 0 HG3 ARG A 66 1.365 17.106 4.162 1.00 0.00 H new ATOM 0 HD2 ARG A 66 2.119 17.947 6.543 1.00 0.00 H new ATOM 0 HD3 ARG A 66 3.593 17.059 6.206 1.00 0.00 H new ATOM 0 HE ARG A 66 2.709 19.557 4.949 1.00 0.00 H new ATOM 0 HH11 ARG A 66 4.765 16.699 4.682 1.00 0.00 H new ATOM 0 HH12 ARG A 66 5.898 17.475 3.570 1.00 0.00 H new ATOM 0 HH21 ARG A 66 4.170 20.547 3.521 1.00 0.00 H new ATOM 0 HH22 ARG A 66 5.562 19.643 2.916 1.00 0.00 H new ATOM 1089 N ALA A 67 0.067 13.313 7.680 1.00 0.00 N ATOM 1090 CA ALA A 67 -0.550 12.903 8.936 1.00 0.00 C ATOM 1091 C ALA A 67 0.267 11.811 9.618 1.00 0.00 C ATOM 1092 O ALA A 67 0.880 12.040 10.661 1.00 0.00 O ATOM 1093 CB ALA A 67 -1.974 12.426 8.693 1.00 0.00 C ATOM 0 H ALA A 67 -0.403 12.963 6.845 1.00 0.00 H new ATOM 0 HA ALA A 67 -0.576 13.768 9.599 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -2.423 12.123 9.639 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.559 13.235 8.257 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -1.962 11.577 8.009 1.00 0.00 H new ATOM 1099 N LEU A 68 0.271 10.623 9.023 1.00 0.00 N ATOM 1100 CA LEU A 68 1.013 9.494 9.574 1.00 0.00 C ATOM 1101 C LEU A 68 2.299 9.964 10.247 1.00 0.00 C ATOM 1102 O LEU A 68 2.635 9.518 11.344 1.00 0.00 O ATOM 1103 CB LEU A 68 1.339 8.486 8.471 1.00 0.00 C ATOM 1104 CG LEU A 68 0.164 7.660 7.948 1.00 0.00 C ATOM 1105 CD1 LEU A 68 -0.772 7.283 9.085 1.00 0.00 C ATOM 1106 CD2 LEU A 68 -0.586 8.424 6.867 1.00 0.00 C ATOM 0 H LEU A 68 -0.231 10.417 8.159 1.00 0.00 H new ATOM 0 HA LEU A 68 0.388 9.011 10.325 1.00 0.00 H new ATOM 0 HB2 LEU A 68 1.780 9.025 7.633 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.100 7.802 8.845 1.00 0.00 H new ATOM 0 HG LEU A 68 0.557 6.742 7.510 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -1.602 6.695 8.693 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -0.228 6.695 9.824 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -1.158 8.188 9.554 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.419 7.821 6.506 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -0.967 9.358 7.279 1.00 0.00 H new ATOM 0 HD23 LEU A 68 0.090 8.641 6.040 1.00 0.00 H new ATOM 1118 N ARG A 69 3.012 10.867 9.583 1.00 0.00 N ATOM 1119 CA ARG A 69 4.260 11.398 10.117 1.00 0.00 C ATOM 1120 C ARG A 69 4.052 11.975 11.514 1.00 0.00 C ATOM 1121 O ARG A 69 4.664 11.523 12.482 1.00 0.00 O ATOM 1122 CB ARG A 69 4.820 12.476 9.187 1.00 0.00 C ATOM 1123 CG ARG A 69 5.765 11.934 8.126 1.00 0.00 C ATOM 1124 CD ARG A 69 5.015 11.146 7.063 1.00 0.00 C ATOM 1125 NE ARG A 69 5.710 11.163 5.778 1.00 0.00 N ATOM 1126 CZ ARG A 69 6.863 10.542 5.558 1.00 0.00 C ATOM 1127 NH1 ARG A 69 7.448 9.858 6.532 1.00 0.00 N ATOM 1128 NH2 ARG A 69 7.433 10.603 4.362 1.00 0.00 N ATOM 0 H ARG A 69 2.747 11.246 8.674 1.00 0.00 H new ATOM 0 HA ARG A 69 4.975 10.578 10.184 1.00 0.00 H new ATOM 0 HB2 ARG A 69 3.991 12.987 8.697 1.00 0.00 H new ATOM 0 HB3 ARG A 69 5.346 13.221 9.784 1.00 0.00 H new ATOM 0 HG2 ARG A 69 6.301 12.760 7.658 1.00 0.00 H new ATOM 0 HG3 ARG A 69 6.512 11.294 8.595 1.00 0.00 H new ATOM 0 HD2 ARG A 69 4.892 10.115 7.395 1.00 0.00 H new ATOM 0 HD3 ARG A 69 4.015 11.563 6.940 1.00 0.00 H new ATOM 0 HE ARG A 69 5.286 11.680 5.008 1.00 0.00 H new ATOM 0 HH11 ARG A 69 7.012 9.808 7.453 1.00 0.00 H new ATOM 0 HH12 ARG A 69 8.334 9.382 6.360 1.00 0.00 H new ATOM 0 HH21 ARG A 69 6.986 11.127 3.610 1.00 0.00 H new ATOM 0 HH22 ARG A 69 8.319 10.126 4.194 1.00 0.00 H new ATOM 1142 N HIS A 70 3.184 12.978 11.612 1.00 0.00 N ATOM 1143 CA HIS A 70 2.895 13.617 12.890 1.00 0.00 C ATOM 1144 C HIS A 70 2.714 12.575 13.990 1.00 0.00 C ATOM 1145 O HIS A 70 3.167 12.765 15.119 1.00 0.00 O ATOM 1146 CB HIS A 70 1.639 14.482 12.780 1.00 0.00 C ATOM 1147 CG HIS A 70 1.920 15.897 12.376 1.00 0.00 C ATOM 1148 ND1 HIS A 70 2.325 16.867 13.268 1.00 0.00 N ATOM 1149 CD2 HIS A 70 1.853 16.503 11.168 1.00 0.00 C ATOM 1150 CE1 HIS A 70 2.494 18.009 12.626 1.00 0.00 C ATOM 1151 NE2 HIS A 70 2.215 17.815 11.350 1.00 0.00 N ATOM 0 H HIS A 70 2.669 13.365 10.821 1.00 0.00 H new ATOM 0 HA HIS A 70 3.742 14.251 13.150 1.00 0.00 H new ATOM 0 HB2 HIS A 70 0.961 14.033 12.054 1.00 0.00 H new ATOM 0 HB3 HIS A 70 1.123 14.483 13.740 1.00 0.00 H new ATOM 0 HD2 HIS A 70 1.568 16.041 10.234 1.00 0.00 H new ATOM 0 HE1 HIS A 70 2.807 18.943 13.069 1.00 0.00 H new ATOM 0 HE2 HIS A 70 2.261 18.524 10.619 1.00 0.00 H new ATOM 1160 N TYR A 71 2.050 11.476 13.653 1.00 0.00 N ATOM 1161 CA TYR A 71 1.806 10.405 14.612 1.00 0.00 C ATOM 1162 C TYR A 71 3.113 9.732 15.021 1.00 0.00 C ATOM 1163 O TYR A 71 3.265 9.287 16.159 1.00 0.00 O ATOM 1164 CB TYR A 71 0.849 9.369 14.020 1.00 0.00 C ATOM 1165 CG TYR A 71 -0.530 9.915 13.728 1.00 0.00 C ATOM 1166 CD1 TYR A 71 -1.507 9.953 14.715 1.00 0.00 C ATOM 1167 CD2 TYR A 71 -0.856 10.392 12.464 1.00 0.00 C ATOM 1168 CE1 TYR A 71 -2.769 10.451 14.453 1.00 0.00 C ATOM 1169 CE2 TYR A 71 -2.115 10.892 12.193 1.00 0.00 C ATOM 1170 CZ TYR A 71 -3.068 10.920 13.190 1.00 0.00 C ATOM 1171 OH TYR A 71 -4.323 11.416 12.924 1.00 0.00 O ATOM 0 H TYR A 71 1.671 11.303 12.722 1.00 0.00 H new ATOM 0 HA TYR A 71 1.351 10.844 15.500 1.00 0.00 H new ATOM 0 HB2 TYR A 71 1.278 8.976 13.098 1.00 0.00 H new ATOM 0 HB3 TYR A 71 0.760 8.532 14.712 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -1.276 9.587 15.704 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -0.113 10.371 11.681 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -3.517 10.473 15.232 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -2.352 11.259 11.205 1.00 0.00 H new ATOM 0 HH TYR A 71 -4.305 11.917 12.082 1.00 0.00 H new ATOM 1181 N TYR A 72 4.053 9.663 14.085 1.00 0.00 N ATOM 1182 CA TYR A 72 5.347 9.044 14.346 1.00 0.00 C ATOM 1183 C TYR A 72 5.982 9.619 15.609 1.00 0.00 C ATOM 1184 O TYR A 72 6.321 8.885 16.537 1.00 0.00 O ATOM 1185 CB TYR A 72 6.283 9.247 13.153 1.00 0.00 C ATOM 1186 CG TYR A 72 5.766 8.640 11.868 1.00 0.00 C ATOM 1187 CD1 TYR A 72 4.573 7.929 11.844 1.00 0.00 C ATOM 1188 CD2 TYR A 72 6.472 8.777 10.679 1.00 0.00 C ATOM 1189 CE1 TYR A 72 4.097 7.372 10.672 1.00 0.00 C ATOM 1190 CE2 TYR A 72 6.003 8.225 9.503 1.00 0.00 C ATOM 1191 CZ TYR A 72 4.816 7.523 9.504 1.00 0.00 C ATOM 1192 OH TYR A 72 4.346 6.971 8.335 1.00 0.00 O ATOM 0 H TYR A 72 3.943 10.028 13.139 1.00 0.00 H new ATOM 0 HA TYR A 72 5.187 7.976 14.496 1.00 0.00 H new ATOM 0 HB2 TYR A 72 6.440 10.315 13.003 1.00 0.00 H new ATOM 0 HB3 TYR A 72 7.255 8.811 13.386 1.00 0.00 H new ATOM 0 HD1 TYR A 72 4.008 7.809 12.756 1.00 0.00 H new ATOM 0 HD2 TYR A 72 7.403 9.324 10.674 1.00 0.00 H new ATOM 0 HE1 TYR A 72 3.168 6.822 10.670 1.00 0.00 H new ATOM 0 HE2 TYR A 72 6.563 8.343 8.587 1.00 0.00 H new ATOM 0 HH TYR A 72 4.347 5.994 8.411 1.00 0.00 H new ATOM 1202 N LYS A 73 6.138 10.938 15.636 1.00 0.00 N ATOM 1203 CA LYS A 73 6.730 11.615 16.784 1.00 0.00 C ATOM 1204 C LYS A 73 5.991 11.254 18.068 1.00 0.00 C ATOM 1205 O LYS A 73 6.588 11.197 19.145 1.00 0.00 O ATOM 1206 CB LYS A 73 6.705 13.131 16.576 1.00 0.00 C ATOM 1207 CG LYS A 73 7.943 13.671 15.883 1.00 0.00 C ATOM 1208 CD LYS A 73 7.858 13.500 14.375 1.00 0.00 C ATOM 1209 CE LYS A 73 6.977 14.566 13.743 1.00 0.00 C ATOM 1210 NZ LYS A 73 6.954 14.457 12.258 1.00 0.00 N ATOM 0 H LYS A 73 5.863 11.560 14.876 1.00 0.00 H new ATOM 0 HA LYS A 73 7.765 11.285 16.876 1.00 0.00 H new ATOM 0 HB2 LYS A 73 5.826 13.394 15.988 1.00 0.00 H new ATOM 0 HB3 LYS A 73 6.599 13.620 17.544 1.00 0.00 H new ATOM 0 HG2 LYS A 73 8.064 14.727 16.124 1.00 0.00 H new ATOM 0 HG3 LYS A 73 8.826 13.155 16.259 1.00 0.00 H new ATOM 0 HD2 LYS A 73 8.858 13.551 13.945 1.00 0.00 H new ATOM 0 HD3 LYS A 73 7.461 12.512 14.141 1.00 0.00 H new ATOM 0 HE2 LYS A 73 5.962 14.475 14.130 1.00 0.00 H new ATOM 0 HE3 LYS A 73 7.339 15.553 14.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 6.343 15.201 11.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 7.919 14.570 11.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 6.584 13.524 11.984 1.00 0.00 H new ATOM 1224 N LEU A 74 4.691 11.011 17.949 1.00 0.00 N ATOM 1225 CA LEU A 74 3.871 10.654 19.101 1.00 0.00 C ATOM 1226 C LEU A 74 4.151 9.222 19.546 1.00 0.00 C ATOM 1227 O LEU A 74 3.509 8.709 20.463 1.00 0.00 O ATOM 1228 CB LEU A 74 2.387 10.815 18.765 1.00 0.00 C ATOM 1229 CG LEU A 74 1.819 12.228 18.896 1.00 0.00 C ATOM 1230 CD1 LEU A 74 0.682 12.440 17.909 1.00 0.00 C ATOM 1231 CD2 LEU A 74 1.345 12.483 20.320 1.00 0.00 C ATOM 0 H LEU A 74 4.182 11.055 17.066 1.00 0.00 H new ATOM 0 HA LEU A 74 4.127 11.326 19.920 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.228 10.474 17.742 1.00 0.00 H new ATOM 0 HB3 LEU A 74 1.814 10.153 19.414 1.00 0.00 H new ATOM 0 HG LEU A 74 2.612 12.940 18.665 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.290 13.451 18.017 1.00 0.00 H new ATOM 0 HD12 LEU A 74 1.051 12.300 16.893 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -0.112 11.720 18.108 1.00 0.00 H new ATOM 0 HD21 LEU A 74 0.944 13.494 20.394 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.568 11.764 20.579 1.00 0.00 H new ATOM 0 HD23 LEU A 74 2.184 12.374 21.008 1.00 0.00 H new ATOM 1243 N ASN A 75 5.115 8.582 18.892 1.00 0.00 N ATOM 1244 CA ASN A 75 5.481 7.209 19.222 1.00 0.00 C ATOM 1245 C ASN A 75 4.293 6.270 19.035 1.00 0.00 C ATOM 1246 O ASN A 75 4.003 5.442 19.899 1.00 0.00 O ATOM 1247 CB ASN A 75 5.989 7.127 20.662 1.00 0.00 C ATOM 1248 CG ASN A 75 7.401 7.661 20.809 1.00 0.00 C ATOM 1249 OD1 ASN A 75 7.611 8.868 20.931 1.00 0.00 O ATOM 1250 ND2 ASN A 75 8.378 6.762 20.797 1.00 0.00 N ATOM 0 H ASN A 75 5.657 8.992 18.131 1.00 0.00 H new ATOM 0 HA ASN A 75 6.277 6.898 18.545 1.00 0.00 H new ATOM 0 HB2 ASN A 75 5.321 7.691 21.313 1.00 0.00 H new ATOM 0 HB3 ASN A 75 5.959 6.090 20.996 1.00 0.00 H new ATOM 0 HD21 ASN A 75 9.348 7.062 20.891 1.00 0.00 H new ATOM 0 HD22 ASN A 75 8.158 5.771 20.694 1.00 0.00 H new ATOM 1257 N ILE A 76 3.612 6.404 17.903 1.00 0.00 N ATOM 1258 CA ILE A 76 2.458 5.566 17.602 1.00 0.00 C ATOM 1259 C ILE A 76 2.734 4.656 16.410 1.00 0.00 C ATOM 1260 O ILE A 76 2.416 3.467 16.438 1.00 0.00 O ATOM 1261 CB ILE A 76 1.207 6.415 17.307 1.00 0.00 C ATOM 1262 CG1 ILE A 76 0.852 7.279 18.519 1.00 0.00 C ATOM 1263 CG2 ILE A 76 0.037 5.521 16.926 1.00 0.00 C ATOM 1264 CD1 ILE A 76 -0.446 8.040 18.359 1.00 0.00 C ATOM 0 H ILE A 76 3.839 7.085 17.178 1.00 0.00 H new ATOM 0 HA ILE A 76 2.273 4.956 18.486 1.00 0.00 H new ATOM 0 HB ILE A 76 1.424 7.074 16.466 1.00 0.00 H new ATOM 0 HG12 ILE A 76 0.784 6.643 19.401 1.00 0.00 H new ATOM 0 HG13 ILE A 76 1.660 7.988 18.699 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -0.839 6.136 16.721 1.00 0.00 H new ATOM 0 HG22 ILE A 76 0.293 4.946 16.036 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -0.183 4.839 17.748 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -0.634 8.631 19.255 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -0.375 8.702 17.496 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -1.265 7.336 18.210 1.00 0.00 H new ATOM 1276 N ILE A 77 3.329 5.223 15.366 1.00 0.00 N ATOM 1277 CA ILE A 77 3.651 4.462 14.165 1.00 0.00 C ATOM 1278 C ILE A 77 5.138 4.555 13.838 1.00 0.00 C ATOM 1279 O ILE A 77 5.776 5.577 14.089 1.00 0.00 O ATOM 1280 CB ILE A 77 2.838 4.952 12.953 1.00 0.00 C ATOM 1281 CG1 ILE A 77 1.350 4.664 13.159 1.00 0.00 C ATOM 1282 CG2 ILE A 77 3.339 4.292 11.677 1.00 0.00 C ATOM 1283 CD1 ILE A 77 0.442 5.570 12.358 1.00 0.00 C ATOM 0 H ILE A 77 3.598 6.206 15.327 1.00 0.00 H new ATOM 0 HA ILE A 77 3.391 3.424 14.370 1.00 0.00 H new ATOM 0 HB ILE A 77 2.970 6.030 12.858 1.00 0.00 H new ATOM 0 HG12 ILE A 77 1.148 3.628 12.887 1.00 0.00 H new ATOM 0 HG13 ILE A 77 1.111 4.768 14.217 1.00 0.00 H new ATOM 0 HG21 ILE A 77 2.754 4.649 10.829 1.00 0.00 H new ATOM 0 HG22 ILE A 77 4.389 4.543 11.525 1.00 0.00 H new ATOM 0 HG23 ILE A 77 3.233 3.210 11.761 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -0.598 5.308 12.554 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.616 6.607 12.647 1.00 0.00 H new ATOM 0 HD13 ILE A 77 0.653 5.449 11.295 1.00 0.00 H new ATOM 1295 N ARG A 78 5.682 3.482 13.273 1.00 0.00 N ATOM 1296 CA ARG A 78 7.093 3.443 12.910 1.00 0.00 C ATOM 1297 C ARG A 78 7.265 3.119 11.429 1.00 0.00 C ATOM 1298 O ARG A 78 6.887 2.041 10.970 1.00 0.00 O ATOM 1299 CB ARG A 78 7.832 2.406 13.758 1.00 0.00 C ATOM 1300 CG ARG A 78 9.292 2.749 14.004 1.00 0.00 C ATOM 1301 CD ARG A 78 10.002 1.645 14.773 1.00 0.00 C ATOM 1302 NE ARG A 78 11.454 1.781 14.710 1.00 0.00 N ATOM 1303 CZ ARG A 78 12.137 2.695 15.391 1.00 0.00 C ATOM 1304 NH1 ARG A 78 11.502 3.548 16.182 1.00 0.00 N ATOM 1305 NH2 ARG A 78 13.458 2.756 15.281 1.00 0.00 N ATOM 0 H ARG A 78 5.167 2.629 13.057 1.00 0.00 H new ATOM 0 HA ARG A 78 7.518 4.428 13.101 1.00 0.00 H new ATOM 0 HB2 ARG A 78 7.325 2.305 14.717 1.00 0.00 H new ATOM 0 HB3 ARG A 78 7.774 1.436 13.263 1.00 0.00 H new ATOM 0 HG2 ARG A 78 9.795 2.911 13.050 1.00 0.00 H new ATOM 0 HG3 ARG A 78 9.358 3.683 14.562 1.00 0.00 H new ATOM 0 HD2 ARG A 78 9.681 1.665 15.814 1.00 0.00 H new ATOM 0 HD3 ARG A 78 9.711 0.676 14.368 1.00 0.00 H new ATOM 0 HE ARG A 78 11.973 1.139 14.110 1.00 0.00 H new ATOM 0 HH11 ARG A 78 10.487 3.504 16.269 1.00 0.00 H new ATOM 0 HH12 ARG A 78 12.029 4.249 16.704 1.00 0.00 H new ATOM 0 HH21 ARG A 78 13.950 2.101 14.673 1.00 0.00 H new ATOM 0 HH22 ARG A 78 13.981 3.458 15.804 1.00 0.00 H new ATOM 1319 N LYS A 79 7.837 4.060 10.685 1.00 0.00 N ATOM 1320 CA LYS A 79 8.060 3.876 9.256 1.00 0.00 C ATOM 1321 C LYS A 79 9.356 3.113 9.001 1.00 0.00 C ATOM 1322 O LYS A 79 10.437 3.570 9.369 1.00 0.00 O ATOM 1323 CB LYS A 79 8.105 5.231 8.547 1.00 0.00 C ATOM 1324 CG LYS A 79 8.075 5.127 7.032 1.00 0.00 C ATOM 1325 CD LYS A 79 7.646 6.436 6.391 1.00 0.00 C ATOM 1326 CE LYS A 79 7.124 6.221 4.979 1.00 0.00 C ATOM 1327 NZ LYS A 79 6.372 7.404 4.478 1.00 0.00 N ATOM 0 H LYS A 79 8.155 4.958 11.049 1.00 0.00 H new ATOM 0 HA LYS A 79 7.231 3.292 8.857 1.00 0.00 H new ATOM 0 HB2 LYS A 79 7.259 5.833 8.878 1.00 0.00 H new ATOM 0 HB3 LYS A 79 9.009 5.759 8.849 1.00 0.00 H new ATOM 0 HG2 LYS A 79 9.063 4.848 6.666 1.00 0.00 H new ATOM 0 HG3 LYS A 79 7.390 4.333 6.734 1.00 0.00 H new ATOM 0 HD2 LYS A 79 6.871 6.903 6.999 1.00 0.00 H new ATOM 0 HD3 LYS A 79 8.491 7.124 6.367 1.00 0.00 H new ATOM 0 HE2 LYS A 79 7.960 6.013 4.311 1.00 0.00 H new ATOM 0 HE3 LYS A 79 6.476 5.345 4.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 5.722 7.108 3.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 5.828 7.825 5.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 7.040 8.107 4.103 1.00 0.00 H new ATOM 1341 N GLU A 80 9.238 1.950 8.368 1.00 0.00 N ATOM 1342 CA GLU A 80 10.402 1.126 8.064 1.00 0.00 C ATOM 1343 C GLU A 80 11.192 1.709 6.896 1.00 0.00 C ATOM 1344 O GLU A 80 10.636 2.091 5.866 1.00 0.00 O ATOM 1345 CB GLU A 80 9.970 -0.305 7.737 1.00 0.00 C ATOM 1346 CG GLU A 80 9.569 -1.114 8.959 1.00 0.00 C ATOM 1347 CD GLU A 80 10.764 -1.690 9.694 1.00 0.00 C ATOM 1348 OE1 GLU A 80 11.561 -2.410 9.057 1.00 0.00 O ATOM 1349 OE2 GLU A 80 10.902 -1.422 10.906 1.00 0.00 O ATOM 0 H GLU A 80 8.350 1.558 8.056 1.00 0.00 H new ATOM 0 HA GLU A 80 11.045 1.112 8.944 1.00 0.00 H new ATOM 0 HB2 GLU A 80 9.131 -0.272 7.042 1.00 0.00 H new ATOM 0 HB3 GLU A 80 10.787 -0.815 7.226 1.00 0.00 H new ATOM 0 HG2 GLU A 80 9.000 -0.480 9.639 1.00 0.00 H new ATOM 0 HG3 GLU A 80 8.910 -1.926 8.652 1.00 0.00 H new ATOM 1356 N PRO A 81 12.522 1.781 7.059 1.00 0.00 N ATOM 1357 CA PRO A 81 13.418 2.317 6.030 1.00 0.00 C ATOM 1358 C PRO A 81 13.518 1.402 4.815 1.00 0.00 C ATOM 1359 O PRO A 81 13.349 1.841 3.678 1.00 0.00 O ATOM 1360 CB PRO A 81 14.768 2.405 6.746 1.00 0.00 C ATOM 1361 CG PRO A 81 14.692 1.382 7.825 1.00 0.00 C ATOM 1362 CD PRO A 81 13.253 1.345 8.261 1.00 0.00 C ATOM 0 HA PRO A 81 13.065 3.271 5.639 1.00 0.00 H new ATOM 0 HB2 PRO A 81 15.592 2.200 6.063 1.00 0.00 H new ATOM 0 HB3 PRO A 81 14.934 3.401 7.156 1.00 0.00 H new ATOM 0 HG2 PRO A 81 15.015 0.406 7.461 1.00 0.00 H new ATOM 0 HG3 PRO A 81 15.345 1.644 8.657 1.00 0.00 H new ATOM 0 HD2 PRO A 81 12.953 0.345 8.573 1.00 0.00 H new ATOM 0 HD3 PRO A 81 13.071 2.010 9.105 1.00 0.00 H new ATOM 1370 N GLY A 82 13.794 0.125 5.063 1.00 0.00 N ATOM 1371 CA GLY A 82 13.911 -0.833 3.978 1.00 0.00 C ATOM 1372 C GLY A 82 12.871 -0.615 2.897 1.00 0.00 C ATOM 1373 O GLY A 82 13.151 -0.801 1.713 1.00 0.00 O ATOM 0 H GLY A 82 13.939 -0.263 5.995 1.00 0.00 H new ATOM 0 HA2 GLY A 82 14.906 -0.761 3.540 1.00 0.00 H new ATOM 0 HA3 GLY A 82 13.810 -1.843 4.376 1.00 0.00 H new ATOM 1377 N GLN A 83 11.669 -0.222 3.305 1.00 0.00 N ATOM 1378 CA GLN A 83 10.584 0.019 2.362 1.00 0.00 C ATOM 1379 C GLN A 83 10.295 1.511 2.233 1.00 0.00 C ATOM 1380 O GLN A 83 10.964 2.338 2.853 1.00 0.00 O ATOM 1381 CB GLN A 83 9.321 -0.720 2.805 1.00 0.00 C ATOM 1382 CG GLN A 83 9.387 -2.223 2.586 1.00 0.00 C ATOM 1383 CD GLN A 83 10.046 -2.593 1.272 1.00 0.00 C ATOM 1384 OE1 GLN A 83 11.271 -2.676 1.180 1.00 0.00 O ATOM 1385 NE2 GLN A 83 9.235 -2.816 0.244 1.00 0.00 N ATOM 0 H GLN A 83 11.422 -0.064 4.282 1.00 0.00 H new ATOM 0 HA GLN A 83 10.894 -0.358 1.387 1.00 0.00 H new ATOM 0 HB2 GLN A 83 9.147 -0.523 3.863 1.00 0.00 H new ATOM 0 HB3 GLN A 83 8.466 -0.319 2.261 1.00 0.00 H new ATOM 0 HG2 GLN A 83 9.939 -2.682 3.407 1.00 0.00 H new ATOM 0 HG3 GLN A 83 8.378 -2.635 2.611 1.00 0.00 H new ATOM 0 HE21 GLN A 83 8.225 -2.736 0.364 1.00 0.00 H new ATOM 0 HE22 GLN A 83 9.622 -3.067 -0.666 1.00 0.00 H new ATOM 1394 N ARG A 84 9.296 1.848 1.424 1.00 0.00 N ATOM 1395 CA ARG A 84 8.920 3.241 1.213 1.00 0.00 C ATOM 1396 C ARG A 84 7.643 3.581 1.975 1.00 0.00 C ATOM 1397 O ARG A 84 7.682 4.259 3.003 1.00 0.00 O ATOM 1398 CB ARG A 84 8.726 3.518 -0.279 1.00 0.00 C ATOM 1399 CG ARG A 84 10.030 3.668 -1.045 1.00 0.00 C ATOM 1400 CD ARG A 84 10.575 5.084 -0.946 1.00 0.00 C ATOM 1401 NE ARG A 84 12.010 5.138 -1.216 1.00 0.00 N ATOM 1402 CZ ARG A 84 12.641 6.236 -1.616 1.00 0.00 C ATOM 1403 NH1 ARG A 84 11.968 7.365 -1.791 1.00 0.00 N ATOM 1404 NH2 ARG A 84 13.948 6.207 -1.841 1.00 0.00 N ATOM 0 H ARG A 84 8.732 1.176 0.904 1.00 0.00 H new ATOM 0 HA ARG A 84 9.726 3.870 1.591 1.00 0.00 H new ATOM 0 HB2 ARG A 84 8.148 2.705 -0.719 1.00 0.00 H new ATOM 0 HB3 ARG A 84 8.138 4.428 -0.398 1.00 0.00 H new ATOM 0 HG2 ARG A 84 10.766 2.966 -0.654 1.00 0.00 H new ATOM 0 HG3 ARG A 84 9.870 3.411 -2.092 1.00 0.00 H new ATOM 0 HD2 ARG A 84 10.049 5.725 -1.653 1.00 0.00 H new ATOM 0 HD3 ARG A 84 10.378 5.479 0.051 1.00 0.00 H new ATOM 0 HE ARG A 84 12.557 4.286 -1.090 1.00 0.00 H new ATOM 0 HH11 ARG A 84 10.963 7.392 -1.618 1.00 0.00 H new ATOM 0 HH12 ARG A 84 12.455 8.207 -2.098 1.00 0.00 H new ATOM 0 HH21 ARG A 84 14.469 5.341 -1.707 1.00 0.00 H new ATOM 0 HH22 ARG A 84 14.431 7.051 -2.148 1.00 0.00 H new ATOM 1418 N LEU A 85 6.512 3.105 1.465 1.00 0.00 N ATOM 1419 CA LEU A 85 5.222 3.359 2.098 1.00 0.00 C ATOM 1420 C LEU A 85 4.892 2.273 3.117 1.00 0.00 C ATOM 1421 O LEU A 85 3.827 1.657 3.061 1.00 0.00 O ATOM 1422 CB LEU A 85 4.119 3.433 1.040 1.00 0.00 C ATOM 1423 CG LEU A 85 4.172 4.636 0.098 1.00 0.00 C ATOM 1424 CD1 LEU A 85 5.131 4.372 -1.052 1.00 0.00 C ATOM 1425 CD2 LEU A 85 2.782 4.963 -0.428 1.00 0.00 C ATOM 0 H LEU A 85 6.462 2.542 0.616 1.00 0.00 H new ATOM 0 HA LEU A 85 5.283 4.314 2.619 1.00 0.00 H new ATOM 0 HB2 LEU A 85 4.158 2.524 0.439 1.00 0.00 H new ATOM 0 HB3 LEU A 85 3.155 3.437 1.549 1.00 0.00 H new ATOM 0 HG LEU A 85 4.538 5.496 0.658 1.00 0.00 H new ATOM 0 HD11 LEU A 85 5.155 5.239 -1.712 1.00 0.00 H new ATOM 0 HD12 LEU A 85 6.130 4.188 -0.657 1.00 0.00 H new ATOM 0 HD13 LEU A 85 4.796 3.499 -1.612 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.839 5.822 -1.097 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.388 4.105 -0.972 1.00 0.00 H new ATOM 0 HD23 LEU A 85 2.122 5.197 0.408 1.00 0.00 H new ATOM 1437 N LEU A 86 5.811 2.046 4.049 1.00 0.00 N ATOM 1438 CA LEU A 86 5.618 1.036 5.084 1.00 0.00 C ATOM 1439 C LEU A 86 5.344 1.687 6.436 1.00 0.00 C ATOM 1440 O LEU A 86 6.063 2.594 6.857 1.00 0.00 O ATOM 1441 CB LEU A 86 6.849 0.133 5.179 1.00 0.00 C ATOM 1442 CG LEU A 86 6.601 -1.290 5.680 1.00 0.00 C ATOM 1443 CD1 LEU A 86 5.825 -1.269 6.987 1.00 0.00 C ATOM 1444 CD2 LEU A 86 5.857 -2.103 4.629 1.00 0.00 C ATOM 0 H LEU A 86 6.697 2.548 4.109 1.00 0.00 H new ATOM 0 HA LEU A 86 4.753 0.432 4.811 1.00 0.00 H new ATOM 0 HB2 LEU A 86 7.309 0.074 4.192 1.00 0.00 H new ATOM 0 HB3 LEU A 86 7.573 0.608 5.840 1.00 0.00 H new ATOM 0 HG LEU A 86 7.566 -1.763 5.862 1.00 0.00 H new ATOM 0 HD11 LEU A 86 5.658 -2.291 7.328 1.00 0.00 H new ATOM 0 HD12 LEU A 86 6.395 -0.724 7.740 1.00 0.00 H new ATOM 0 HD13 LEU A 86 4.865 -0.777 6.832 1.00 0.00 H new ATOM 0 HD21 LEU A 86 5.689 -3.113 5.002 1.00 0.00 H new ATOM 0 HD22 LEU A 86 4.898 -1.631 4.415 1.00 0.00 H new ATOM 0 HD23 LEU A 86 6.451 -2.148 3.716 1.00 0.00 H new ATOM 1456 N PHE A 87 4.302 1.216 7.113 1.00 0.00 N ATOM 1457 CA PHE A 87 3.934 1.752 8.418 1.00 0.00 C ATOM 1458 C PHE A 87 3.757 0.629 9.436 1.00 0.00 C ATOM 1459 O PHE A 87 3.064 -0.355 9.177 1.00 0.00 O ATOM 1460 CB PHE A 87 2.644 2.568 8.313 1.00 0.00 C ATOM 1461 CG PHE A 87 2.648 3.552 7.178 1.00 0.00 C ATOM 1462 CD1 PHE A 87 3.738 4.380 6.966 1.00 0.00 C ATOM 1463 CD2 PHE A 87 1.562 3.649 6.323 1.00 0.00 C ATOM 1464 CE1 PHE A 87 3.744 5.287 5.923 1.00 0.00 C ATOM 1465 CE2 PHE A 87 1.562 4.553 5.278 1.00 0.00 C ATOM 1466 CZ PHE A 87 2.655 5.373 5.077 1.00 0.00 C ATOM 0 H PHE A 87 3.698 0.465 6.780 1.00 0.00 H new ATOM 0 HA PHE A 87 4.740 2.403 8.756 1.00 0.00 H new ATOM 0 HB2 PHE A 87 1.802 1.887 8.190 1.00 0.00 H new ATOM 0 HB3 PHE A 87 2.486 3.105 9.248 1.00 0.00 H new ATOM 0 HD1 PHE A 87 4.593 4.316 7.623 1.00 0.00 H new ATOM 0 HD2 PHE A 87 0.705 3.010 6.475 1.00 0.00 H new ATOM 0 HE1 PHE A 87 4.599 5.928 5.769 1.00 0.00 H new ATOM 0 HE2 PHE A 87 0.709 4.618 4.619 1.00 0.00 H new ATOM 0 HZ PHE A 87 2.658 6.080 4.260 1.00 0.00 H new ATOM 1476 N ARG A 88 4.388 0.785 10.595 1.00 0.00 N ATOM 1477 CA ARG A 88 4.303 -0.216 11.652 1.00 0.00 C ATOM 1478 C ARG A 88 3.547 0.332 12.859 1.00 0.00 C ATOM 1479 O ARG A 88 4.015 1.249 13.534 1.00 0.00 O ATOM 1480 CB ARG A 88 5.703 -0.664 12.074 1.00 0.00 C ATOM 1481 CG ARG A 88 5.702 -1.693 13.192 1.00 0.00 C ATOM 1482 CD ARG A 88 6.947 -1.577 14.058 1.00 0.00 C ATOM 1483 NE ARG A 88 8.121 -2.155 13.409 1.00 0.00 N ATOM 1484 CZ ARG A 88 8.403 -3.453 13.420 1.00 0.00 C ATOM 1485 NH1 ARG A 88 7.599 -4.303 14.043 1.00 0.00 N ATOM 1486 NH2 ARG A 88 9.490 -3.902 12.806 1.00 0.00 N ATOM 0 H ARG A 88 4.964 1.595 10.826 1.00 0.00 H new ATOM 0 HA ARG A 88 3.757 -1.075 11.262 1.00 0.00 H new ATOM 0 HB2 ARG A 88 6.218 -1.081 11.209 1.00 0.00 H new ATOM 0 HB3 ARG A 88 6.273 0.208 12.395 1.00 0.00 H new ATOM 0 HG2 ARG A 88 4.814 -1.559 13.810 1.00 0.00 H new ATOM 0 HG3 ARG A 88 5.646 -2.695 12.766 1.00 0.00 H new ATOM 0 HD2 ARG A 88 7.136 -0.527 14.282 1.00 0.00 H new ATOM 0 HD3 ARG A 88 6.775 -2.080 15.010 1.00 0.00 H new ATOM 0 HE ARG A 88 8.759 -1.527 12.920 1.00 0.00 H new ATOM 0 HH11 ARG A 88 6.762 -3.961 14.515 1.00 0.00 H new ATOM 0 HH12 ARG A 88 7.817 -5.299 14.050 1.00 0.00 H new ATOM 0 HH21 ARG A 88 10.110 -3.250 12.325 1.00 0.00 H new ATOM 0 HH22 ARG A 88 9.706 -4.899 12.815 1.00 0.00 H new ATOM 1500 N PHE A 89 2.375 -0.236 13.125 1.00 0.00 N ATOM 1501 CA PHE A 89 1.554 0.195 14.250 1.00 0.00 C ATOM 1502 C PHE A 89 2.147 -0.283 15.572 1.00 0.00 C ATOM 1503 O PHE A 89 1.705 -1.283 16.136 1.00 0.00 O ATOM 1504 CB PHE A 89 0.126 -0.332 14.098 1.00 0.00 C ATOM 1505 CG PHE A 89 -0.740 0.524 13.218 1.00 0.00 C ATOM 1506 CD1 PHE A 89 -0.774 1.899 13.386 1.00 0.00 C ATOM 1507 CD2 PHE A 89 -1.519 -0.046 12.224 1.00 0.00 C ATOM 1508 CE1 PHE A 89 -1.569 2.690 12.578 1.00 0.00 C ATOM 1509 CE2 PHE A 89 -2.315 0.740 11.413 1.00 0.00 C ATOM 1510 CZ PHE A 89 -2.342 2.110 11.591 1.00 0.00 C ATOM 0 H PHE A 89 1.973 -0.996 12.576 1.00 0.00 H new ATOM 0 HA PHE A 89 1.533 1.285 14.255 1.00 0.00 H new ATOM 0 HB2 PHE A 89 0.162 -1.341 13.687 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -0.332 -0.405 15.084 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -0.173 2.358 14.157 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -1.504 -1.116 12.082 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -1.586 3.761 12.718 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -2.916 0.284 10.640 1.00 0.00 H new ATOM 0 HZ PHE A 89 -2.966 2.726 10.960 1.00 0.00 H new ATOM 1520 N MET A 90 3.150 0.440 16.059 1.00 0.00 N ATOM 1521 CA MET A 90 3.804 0.090 17.315 1.00 0.00 C ATOM 1522 C MET A 90 2.806 -0.513 18.298 1.00 0.00 C ATOM 1523 O MET A 90 2.842 -1.711 18.579 1.00 0.00 O ATOM 1524 CB MET A 90 4.463 1.325 17.932 1.00 0.00 C ATOM 1525 CG MET A 90 5.680 1.813 17.162 1.00 0.00 C ATOM 1526 SD MET A 90 6.562 3.131 18.021 1.00 0.00 S ATOM 1527 CE MET A 90 6.630 4.382 16.741 1.00 0.00 C ATOM 0 H MET A 90 3.527 1.271 15.604 1.00 0.00 H new ATOM 0 HA MET A 90 4.571 -0.654 17.102 1.00 0.00 H new ATOM 0 HB2 MET A 90 3.730 2.130 17.985 1.00 0.00 H new ATOM 0 HB3 MET A 90 4.759 1.096 18.956 1.00 0.00 H new ATOM 0 HG2 MET A 90 6.358 0.977 16.994 1.00 0.00 H new ATOM 0 HG3 MET A 90 5.366 2.170 16.181 1.00 0.00 H new ATOM 0 HE1 MET A 90 7.296 5.187 17.054 1.00 0.00 H new ATOM 0 HE2 MET A 90 7.005 3.939 15.818 1.00 0.00 H new ATOM 0 HE3 MET A 90 5.631 4.783 16.571 1.00 0.00 H new ATOM 1537 N LYS A 91 1.915 0.325 18.818 1.00 0.00 N ATOM 1538 CA LYS A 91 0.905 -0.125 19.769 1.00 0.00 C ATOM 1539 C LYS A 91 -0.462 -0.234 19.100 1.00 0.00 C ATOM 1540 O LYS A 91 -0.606 0.041 17.909 1.00 0.00 O ATOM 1541 CB LYS A 91 0.829 0.838 20.956 1.00 0.00 C ATOM 1542 CG LYS A 91 0.257 2.199 20.599 1.00 0.00 C ATOM 1543 CD LYS A 91 0.833 3.294 21.482 1.00 0.00 C ATOM 1544 CE LYS A 91 0.538 3.037 22.952 1.00 0.00 C ATOM 1545 NZ LYS A 91 -0.748 3.657 23.376 1.00 0.00 N ATOM 0 H LYS A 91 1.872 1.320 18.597 1.00 0.00 H new ATOM 0 HA LYS A 91 1.194 -1.113 20.128 1.00 0.00 H new ATOM 0 HB2 LYS A 91 0.217 0.390 21.738 1.00 0.00 H new ATOM 0 HB3 LYS A 91 1.828 0.970 21.370 1.00 0.00 H new ATOM 0 HG2 LYS A 91 0.472 2.422 19.554 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -0.828 2.178 20.704 1.00 0.00 H new ATOM 0 HD2 LYS A 91 1.911 3.355 21.331 1.00 0.00 H new ATOM 0 HD3 LYS A 91 0.415 4.257 21.189 1.00 0.00 H new ATOM 0 HE2 LYS A 91 0.500 1.963 23.132 1.00 0.00 H new ATOM 0 HE3 LYS A 91 1.351 3.434 23.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -0.913 3.459 24.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -0.703 4.685 23.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -1.527 3.260 22.813 1.00 0.00 H new ATOM 1559 N THR A 92 -1.464 -0.636 19.876 1.00 0.00 N ATOM 1560 CA THR A 92 -2.819 -0.781 19.359 1.00 0.00 C ATOM 1561 C THR A 92 -3.447 0.578 19.073 1.00 0.00 C ATOM 1562 O THR A 92 -3.454 1.475 19.916 1.00 0.00 O ATOM 1563 CB THR A 92 -3.717 -1.551 20.346 1.00 0.00 C ATOM 1564 OG1 THR A 92 -3.302 -2.919 20.421 1.00 0.00 O ATOM 1565 CG2 THR A 92 -5.176 -1.481 19.918 1.00 0.00 C ATOM 0 H THR A 92 -1.362 -0.867 20.864 1.00 0.00 H new ATOM 0 HA THR A 92 -2.744 -1.346 18.430 1.00 0.00 H new ATOM 0 HB THR A 92 -3.620 -1.088 21.328 1.00 0.00 H new ATOM 0 HG1 THR A 92 -3.877 -3.401 21.052 1.00 0.00 H new ATOM 0 HG21 THR A 92 -5.791 -2.032 20.630 1.00 0.00 H new ATOM 0 HG22 THR A 92 -5.497 -0.440 19.890 1.00 0.00 H new ATOM 0 HG23 THR A 92 -5.286 -1.921 18.927 1.00 0.00 H new ATOM 1573 N PRO A 93 -3.987 0.736 17.855 1.00 0.00 N ATOM 1574 CA PRO A 93 -4.629 1.984 17.430 1.00 0.00 C ATOM 1575 C PRO A 93 -5.947 2.234 18.155 1.00 0.00 C ATOM 1576 O PRO A 93 -6.242 3.361 18.554 1.00 0.00 O ATOM 1577 CB PRO A 93 -4.875 1.765 15.935 1.00 0.00 C ATOM 1578 CG PRO A 93 -4.953 0.286 15.777 1.00 0.00 C ATOM 1579 CD PRO A 93 -4.014 -0.291 16.800 1.00 0.00 C ATOM 0 HA PRO A 93 -4.013 2.855 17.652 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -5.797 2.247 15.611 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -4.068 2.185 15.335 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -5.971 -0.070 15.937 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -4.665 -0.014 14.770 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -4.372 -1.248 17.180 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -3.022 -0.465 16.383 1.00 0.00 H new ATOM 1587 N ASP A 94 -6.734 1.178 18.324 1.00 0.00 N ATOM 1588 CA ASP A 94 -8.020 1.283 19.003 1.00 0.00 C ATOM 1589 C ASP A 94 -7.831 1.662 20.469 1.00 0.00 C ATOM 1590 O ASP A 94 -8.776 2.077 21.139 1.00 0.00 O ATOM 1591 CB ASP A 94 -8.786 -0.037 18.900 1.00 0.00 C ATOM 1592 CG ASP A 94 -9.637 -0.115 17.648 1.00 0.00 C ATOM 1593 OD1 ASP A 94 -9.062 -0.191 16.542 1.00 0.00 O ATOM 1594 OD2 ASP A 94 -10.879 -0.102 17.774 1.00 0.00 O ATOM 0 H ASP A 94 -6.504 0.239 18.000 1.00 0.00 H new ATOM 0 HA ASP A 94 -8.597 2.068 18.514 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -8.078 -0.866 18.907 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -9.423 -0.154 19.777 1.00 0.00 H new ATOM 1599 N GLU A 95 -6.605 1.515 20.960 1.00 0.00 N ATOM 1600 CA GLU A 95 -6.293 1.841 22.346 1.00 0.00 C ATOM 1601 C GLU A 95 -5.970 3.325 22.498 1.00 0.00 C ATOM 1602 O GLU A 95 -6.541 4.011 23.346 1.00 0.00 O ATOM 1603 CB GLU A 95 -5.115 0.998 22.839 1.00 0.00 C ATOM 1604 CG GLU A 95 -4.293 1.676 23.923 1.00 0.00 C ATOM 1605 CD GLU A 95 -5.152 2.417 24.929 1.00 0.00 C ATOM 1606 OE1 GLU A 95 -6.193 1.863 25.342 1.00 0.00 O ATOM 1607 OE2 GLU A 95 -4.785 3.550 25.303 1.00 0.00 O ATOM 0 H GLU A 95 -5.812 1.172 20.418 1.00 0.00 H new ATOM 0 HA GLU A 95 -7.171 1.615 22.951 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -5.493 0.049 23.221 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -4.466 0.766 21.994 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -3.696 0.927 24.443 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -3.596 2.375 23.461 1.00 0.00 H new ATOM 1794 N LEU A 107 -5.392 17.735 15.392 1.00 0.00 N ATOM 1795 CA LEU A 107 -4.607 17.482 14.188 1.00 0.00 C ATOM 1796 C LEU A 107 -5.446 16.773 13.130 1.00 0.00 C ATOM 1797 O LEU A 107 -4.931 15.974 12.348 1.00 0.00 O ATOM 1798 CB LEU A 107 -3.375 16.641 14.526 1.00 0.00 C ATOM 1799 CG LEU A 107 -2.373 17.275 15.491 1.00 0.00 C ATOM 1800 CD1 LEU A 107 -1.463 16.214 16.090 1.00 0.00 C ATOM 1801 CD2 LEU A 107 -1.555 18.346 14.784 1.00 0.00 C ATOM 0 HA LEU A 107 -4.285 18.442 13.786 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -3.711 15.696 14.952 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -2.855 16.405 13.597 1.00 0.00 H new ATOM 0 HG LEU A 107 -2.928 17.747 16.302 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -0.757 16.684 16.774 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -2.063 15.484 16.633 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -0.916 15.712 15.292 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -0.847 18.786 15.486 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -1.010 17.898 13.953 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -2.221 19.122 14.406 1.00 0.00 H new ATOM 1813 N GLU A 108 -6.741 17.073 13.111 1.00 0.00 N ATOM 1814 CA GLU A 108 -7.651 16.464 12.147 1.00 0.00 C ATOM 1815 C GLU A 108 -7.711 17.285 10.862 1.00 0.00 C ATOM 1816 O GLU A 108 -7.758 16.733 9.762 1.00 0.00 O ATOM 1817 CB GLU A 108 -9.053 16.334 12.747 1.00 0.00 C ATOM 1818 CG GLU A 108 -9.657 17.661 13.175 1.00 0.00 C ATOM 1819 CD GLU A 108 -10.914 17.489 14.006 1.00 0.00 C ATOM 1820 OE1 GLU A 108 -12.012 17.416 13.415 1.00 0.00 O ATOM 1821 OE2 GLU A 108 -10.799 17.426 15.248 1.00 0.00 O ATOM 0 H GLU A 108 -7.183 17.733 13.751 1.00 0.00 H new ATOM 0 HA GLU A 108 -7.273 15.471 11.906 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -9.710 15.864 12.015 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -9.010 15.669 13.610 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -8.920 18.223 13.749 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -9.889 18.253 12.289 1.00 0.00 H new ATOM 1828 N SER A 109 -7.708 18.606 11.009 1.00 0.00 N ATOM 1829 CA SER A 109 -7.766 19.503 9.861 1.00 0.00 C ATOM 1830 C SER A 109 -6.684 20.575 9.954 1.00 0.00 C ATOM 1831 O SER A 109 -6.917 21.737 9.623 1.00 0.00 O ATOM 1832 CB SER A 109 -9.144 20.160 9.770 1.00 0.00 C ATOM 1833 OG SER A 109 -10.155 19.194 9.539 1.00 0.00 O ATOM 0 H SER A 109 -7.666 19.079 11.912 1.00 0.00 H new ATOM 0 HA SER A 109 -7.592 18.913 8.961 1.00 0.00 H new ATOM 0 HB2 SER A 109 -9.355 20.699 10.694 1.00 0.00 H new ATOM 0 HB3 SER A 109 -9.148 20.895 8.965 1.00 0.00 H new ATOM 0 HG SER A 109 -11.027 19.639 9.487 1.00 0.00 H new ATOM 1839 N GLN A 110 -5.501 20.175 10.409 1.00 0.00 N ATOM 1840 CA GLN A 110 -4.383 21.101 10.547 1.00 0.00 C ATOM 1841 C GLN A 110 -3.363 20.892 9.433 1.00 0.00 C ATOM 1842 O GLN A 110 -2.944 21.844 8.776 1.00 0.00 O ATOM 1843 CB GLN A 110 -3.712 20.923 11.909 1.00 0.00 C ATOM 1844 CG GLN A 110 -2.483 21.798 12.101 1.00 0.00 C ATOM 1845 CD GLN A 110 -1.514 21.228 13.118 1.00 0.00 C ATOM 1846 OE1 GLN A 110 -0.903 20.183 12.893 1.00 0.00 O ATOM 1847 NE2 GLN A 110 -1.367 21.914 14.245 1.00 0.00 N ATOM 0 H GLN A 110 -5.292 19.216 10.688 1.00 0.00 H new ATOM 0 HA GLN A 110 -4.773 22.116 10.472 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -4.435 21.149 12.693 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -3.426 19.878 12.030 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -1.973 21.916 11.145 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -2.796 22.792 12.420 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -1.893 22.776 14.390 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -0.728 21.580 14.966 1.00 0.00 H new ATOM 1856 N GLU A 111 -2.967 19.640 9.226 1.00 0.00 N ATOM 1857 CA GLU A 111 -1.994 19.307 8.192 1.00 0.00 C ATOM 1858 C GLU A 111 -2.628 19.377 6.806 1.00 0.00 C ATOM 1859 O GLU A 111 -2.023 19.881 5.859 1.00 0.00 O ATOM 1860 CB GLU A 111 -1.419 17.910 8.432 1.00 0.00 C ATOM 1861 CG GLU A 111 -2.476 16.820 8.501 1.00 0.00 C ATOM 1862 CD GLU A 111 -2.774 16.209 7.146 1.00 0.00 C ATOM 1863 OE1 GLU A 111 -1.969 16.413 6.213 1.00 0.00 O ATOM 1864 OE2 GLU A 111 -3.811 15.525 7.019 1.00 0.00 O ATOM 0 H GLU A 111 -3.305 18.840 9.761 1.00 0.00 H new ATOM 0 HA GLU A 111 -1.186 20.037 8.241 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -0.717 17.673 7.633 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -0.853 17.915 9.363 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -2.142 16.038 9.182 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -3.394 17.235 8.918 1.00 0.00 H new ATOM 1871 N LEU A 112 -3.850 18.868 6.694 1.00 0.00 N ATOM 1872 CA LEU A 112 -4.567 18.872 5.424 1.00 0.00 C ATOM 1873 C LEU A 112 -4.527 20.254 4.780 1.00 0.00 C ATOM 1874 O LEU A 112 -4.506 20.379 3.556 1.00 0.00 O ATOM 1875 CB LEU A 112 -6.019 18.437 5.635 1.00 0.00 C ATOM 1876 CG LEU A 112 -6.231 16.975 6.028 1.00 0.00 C ATOM 1877 CD1 LEU A 112 -7.686 16.727 6.394 1.00 0.00 C ATOM 1878 CD2 LEU A 112 -5.799 16.051 4.899 1.00 0.00 C ATOM 0 H LEU A 112 -4.365 18.447 7.467 1.00 0.00 H new ATOM 0 HA LEU A 112 -4.075 18.166 4.755 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -6.457 19.068 6.408 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -6.572 18.629 4.716 1.00 0.00 H new ATOM 0 HG LEU A 112 -5.616 16.761 6.902 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -7.818 15.681 6.671 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -7.963 17.363 7.235 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -8.321 16.959 5.539 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -5.957 15.014 5.197 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -6.388 16.266 4.007 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -4.742 16.209 4.683 1.00 0.00 H new