USER MOD reduce.3.24.130724 H: found=0, std=0, add=739, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 741 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 20 MET CE :methyl -127:sc= -0.796 (180deg=-3.09) USER MOD Set 1.2: A 29 THR OG1 : rot 56:sc= 0.545 USER MOD Set 1.3: A 31 HIS : no HD1:sc= 0.389 K(o=0.14,f=-4.9!) USER MOD Single : A 14 GLN :FLIP amide:sc= -1.73 F(o=-2.4!,f=-1.7) USER MOD Single : A 15 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -0.516 K(o=-0.52,f=-1.1) USER MOD Single : A 27 LYS NZ :NH3+ 165:sc= -1.31 (180deg=-1.71) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 CYS SG : rot -179:sc= -1.04 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 48:sc= 0.181 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -0.507 X(o=-0.51,f=-0.33) USER MOD Single : A 68 THR OG1 : rot -25:sc= 1.15 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 ASN :FLIP amide:sc= -0.213 F(o=-1.5,f=-0.21) USER MOD Single : A 73 LYS NZ :NH3+ 165:sc= -0.0564 (180deg=-0.335) USER MOD Single : A 76 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= -0.279 X(o=-0.28,f=-0.59) USER MOD Single : A 80 GLN :FLIP amide:sc= -0.0701 F(o=-1.1,f=-0.07) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot -110:sc= 0.00512 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 92 GLN :FLIP amide:sc= -0.0294 F(o=-1.3!,f=-0.029) USER MOD Single : A 101 THR OG1 : rot 118:sc= 0.103 USER MOD Single : A 112 GLN : amide:sc= -0.147 X(o=-0.15,f=-0.18) USER MOD Single : A 113 SER OG : rot -140:sc= 0 USER MOD Single : A 118 THR OG1 : rot -86:sc= -0.158 USER MOD ----------------------------------------------------------------- ATOM 112 N GLN A 14 0.384 11.205 -1.283 1.00 0.00 N ATOM 113 CA GLN A 14 1.013 10.483 -0.186 1.00 0.00 C ATOM 114 C GLN A 14 2.220 9.692 -0.676 1.00 0.00 C ATOM 115 O GLN A 14 2.070 8.644 -1.305 1.00 0.00 O ATOM 116 CB GLN A 14 0.008 9.541 0.474 1.00 0.00 C ATOM 117 CG GLN A 14 -0.894 10.224 1.488 1.00 0.00 C ATOM 118 CD GLN A 14 -0.116 10.892 2.605 1.00 0.00 C ATOM 119 OE1 GLN A 14 0.151 10.144 3.669 1.00 0.00 O flip ATOM 120 NE2 GLN A 14 0.242 12.066 2.511 1.00 0.00 N flip ATOM 0 HA GLN A 14 1.353 11.214 0.548 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -0.610 9.084 -0.299 1.00 0.00 H new ATOM 0 HB3 GLN A 14 0.550 8.734 0.968 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -1.506 10.970 0.980 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -1.576 9.489 1.915 1.00 0.00 H new ATOM 0 HE21 GLN A 14 0.014 12.603 1.674 1.00 0.00 H new ATOM 0 HE22 GLN A 14 0.766 12.502 3.270 1.00 0.00 H new ATOM 129 N GLN A 15 3.413 10.196 -0.384 1.00 0.00 N ATOM 130 CA GLN A 15 4.644 9.533 -0.797 1.00 0.00 C ATOM 131 C GLN A 15 5.552 9.279 0.401 1.00 0.00 C ATOM 132 O GLN A 15 5.774 10.167 1.225 1.00 0.00 O ATOM 133 CB GLN A 15 5.382 10.373 -1.839 1.00 0.00 C ATOM 134 CG GLN A 15 4.521 10.759 -3.032 1.00 0.00 C ATOM 135 CD GLN A 15 5.281 11.566 -4.064 1.00 0.00 C ATOM 136 OE1 GLN A 15 6.211 12.301 -3.734 1.00 0.00 O ATOM 137 NE2 GLN A 15 4.887 11.434 -5.327 1.00 0.00 N ATOM 0 H GLN A 15 3.554 11.061 0.137 1.00 0.00 H new ATOM 0 HA GLN A 15 4.376 8.574 -1.240 1.00 0.00 H new ATOM 0 HB2 GLN A 15 5.756 11.280 -1.363 1.00 0.00 H new ATOM 0 HB3 GLN A 15 6.250 9.817 -2.193 1.00 0.00 H new ATOM 0 HG2 GLN A 15 4.129 9.856 -3.500 1.00 0.00 H new ATOM 0 HG3 GLN A 15 3.664 11.336 -2.685 1.00 0.00 H new ATOM 0 HE21 GLN A 15 4.111 10.813 -5.557 1.00 0.00 H new ATOM 0 HE22 GLN A 15 5.361 11.953 -6.066 1.00 0.00 H new ATOM 146 N GLY A 16 6.073 8.061 0.489 1.00 0.00 N ATOM 147 CA GLY A 16 6.950 7.704 1.588 1.00 0.00 C ATOM 148 C GLY A 16 7.373 6.249 1.542 1.00 0.00 C ATOM 149 O GLY A 16 7.785 5.748 0.495 1.00 0.00 O ATOM 0 H GLY A 16 5.903 7.313 -0.183 1.00 0.00 H new ATOM 0 HA2 GLY A 16 7.836 8.338 1.562 1.00 0.00 H new ATOM 0 HA3 GLY A 16 6.443 7.902 2.532 1.00 0.00 H new ATOM 153 N GLU A 17 7.266 5.567 2.678 1.00 0.00 N ATOM 154 CA GLU A 17 7.645 4.162 2.764 1.00 0.00 C ATOM 155 C GLU A 17 6.539 3.336 3.416 1.00 0.00 C ATOM 156 O GLU A 17 5.911 3.772 4.381 1.00 0.00 O ATOM 157 CB GLU A 17 8.942 4.014 3.559 1.00 0.00 C ATOM 158 CG GLU A 17 10.088 4.848 3.009 1.00 0.00 C ATOM 159 CD GLU A 17 11.337 4.758 3.864 1.00 0.00 C ATOM 160 OE1 GLU A 17 11.446 5.531 4.839 1.00 0.00 O ATOM 161 OE2 GLU A 17 12.206 3.915 3.559 1.00 0.00 O ATOM 0 H GLU A 17 6.920 5.965 3.551 1.00 0.00 H new ATOM 0 HA GLU A 17 7.800 3.790 1.751 1.00 0.00 H new ATOM 0 HB2 GLU A 17 8.759 4.300 4.595 1.00 0.00 H new ATOM 0 HB3 GLU A 17 9.237 2.965 3.566 1.00 0.00 H new ATOM 0 HG2 GLU A 17 10.320 4.517 1.997 1.00 0.00 H new ATOM 0 HG3 GLU A 17 9.774 5.889 2.939 1.00 0.00 H new ATOM 168 N LEU A 18 6.307 2.141 2.880 1.00 0.00 N ATOM 169 CA LEU A 18 5.281 1.250 3.408 1.00 0.00 C ATOM 170 C LEU A 18 5.702 -0.209 3.262 1.00 0.00 C ATOM 171 O LEU A 18 6.576 -0.534 2.457 1.00 0.00 O ATOM 172 CB LEU A 18 3.950 1.483 2.688 1.00 0.00 C ATOM 173 CG LEU A 18 2.813 2.005 3.571 1.00 0.00 C ATOM 174 CD1 LEU A 18 1.566 2.254 2.738 1.00 0.00 C ATOM 175 CD2 LEU A 18 2.517 1.025 4.698 1.00 0.00 C ATOM 0 H LEU A 18 6.817 1.768 2.079 1.00 0.00 H new ATOM 0 HA LEU A 18 5.155 1.470 4.468 1.00 0.00 H new ATOM 0 HB2 LEU A 18 4.114 2.193 1.877 1.00 0.00 H new ATOM 0 HB3 LEU A 18 3.633 0.545 2.232 1.00 0.00 H new ATOM 0 HG LEU A 18 3.127 2.950 4.014 1.00 0.00 H new ATOM 0 HD11 LEU A 18 0.767 2.625 3.380 1.00 0.00 H new ATOM 0 HD12 LEU A 18 1.785 2.993 1.968 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.251 1.323 2.268 1.00 0.00 H new ATOM 0 HD21 LEU A 18 1.706 1.414 5.314 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.224 0.064 4.276 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.409 0.895 5.311 1.00 0.00 H new ATOM 187 N TYR A 19 5.076 -1.084 4.043 1.00 0.00 N ATOM 188 CA TYR A 19 5.388 -2.506 4.000 1.00 0.00 C ATOM 189 C TYR A 19 4.273 -3.286 3.314 1.00 0.00 C ATOM 190 O TYR A 19 3.096 -2.947 3.440 1.00 0.00 O ATOM 191 CB TYR A 19 5.607 -3.042 5.415 1.00 0.00 C ATOM 192 CG TYR A 19 6.665 -2.292 6.191 1.00 0.00 C ATOM 193 CD1 TYR A 19 6.362 -1.104 6.843 1.00 0.00 C ATOM 194 CD2 TYR A 19 7.965 -2.772 6.272 1.00 0.00 C ATOM 195 CE1 TYR A 19 7.326 -0.414 7.554 1.00 0.00 C ATOM 196 CE2 TYR A 19 8.935 -2.089 6.982 1.00 0.00 C ATOM 197 CZ TYR A 19 8.610 -0.912 7.621 1.00 0.00 C ATOM 198 OH TYR A 19 9.572 -0.228 8.328 1.00 0.00 O ATOM 0 H TYR A 19 4.350 -0.832 4.713 1.00 0.00 H new ATOM 0 HA TYR A 19 6.304 -2.636 3.424 1.00 0.00 H new ATOM 0 HB2 TYR A 19 4.665 -2.994 5.962 1.00 0.00 H new ATOM 0 HB3 TYR A 19 5.889 -4.093 5.356 1.00 0.00 H new ATOM 0 HD1 TYR A 19 5.357 -0.713 6.794 1.00 0.00 H new ATOM 0 HD2 TYR A 19 8.223 -3.694 5.772 1.00 0.00 H new ATOM 0 HE1 TYR A 19 7.075 0.510 8.054 1.00 0.00 H new ATOM 0 HE2 TYR A 19 9.942 -2.476 7.036 1.00 0.00 H new ATOM 0 HH TYR A 19 10.422 -0.713 8.277 1.00 0.00 H new ATOM 208 N MET A 20 4.653 -4.330 2.589 1.00 0.00 N ATOM 209 CA MET A 20 3.691 -5.165 1.879 1.00 0.00 C ATOM 210 C MET A 20 4.092 -6.634 1.955 1.00 0.00 C ATOM 211 O MET A 20 5.271 -6.971 1.840 1.00 0.00 O ATOM 212 CB MET A 20 3.580 -4.722 0.420 1.00 0.00 C ATOM 213 CG MET A 20 2.760 -3.454 0.229 1.00 0.00 C ATOM 214 SD MET A 20 2.898 -2.784 -1.440 1.00 0.00 S ATOM 215 CE MET A 20 4.647 -2.412 -1.513 1.00 0.00 C ATOM 0 H MET A 20 5.624 -4.620 2.477 1.00 0.00 H new ATOM 0 HA MET A 20 2.718 -5.049 2.357 1.00 0.00 H new ATOM 0 HB2 MET A 20 4.581 -4.561 0.021 1.00 0.00 H new ATOM 0 HB3 MET A 20 3.131 -5.527 -0.162 1.00 0.00 H new ATOM 0 HG2 MET A 20 1.713 -3.667 0.446 1.00 0.00 H new ATOM 0 HG3 MET A 20 3.088 -2.702 0.947 1.00 0.00 H new ATOM 0 HE1 MET A 20 4.786 -1.374 -1.816 1.00 0.00 H new ATOM 0 HE2 MET A 20 5.093 -2.566 -0.531 1.00 0.00 H new ATOM 0 HE3 MET A 20 5.129 -3.069 -2.237 1.00 0.00 H new ATOM 225 N TRP A 21 3.105 -7.502 2.150 1.00 0.00 N ATOM 226 CA TRP A 21 3.351 -8.936 2.249 1.00 0.00 C ATOM 227 C TRP A 21 4.041 -9.470 0.998 1.00 0.00 C ATOM 228 O TRP A 21 3.541 -9.315 -0.117 1.00 0.00 O ATOM 229 CB TRP A 21 2.037 -9.684 2.482 1.00 0.00 C ATOM 230 CG TRP A 21 2.170 -11.174 2.387 1.00 0.00 C ATOM 231 CD1 TRP A 21 1.484 -12.005 1.548 1.00 0.00 C ATOM 232 CD2 TRP A 21 3.044 -12.011 3.155 1.00 0.00 C ATOM 233 NE1 TRP A 21 1.875 -13.308 1.750 1.00 0.00 N ATOM 234 CE2 TRP A 21 2.832 -13.337 2.729 1.00 0.00 C ATOM 235 CE3 TRP A 21 3.986 -11.770 4.160 1.00 0.00 C ATOM 236 CZ2 TRP A 21 3.524 -14.414 3.275 1.00 0.00 C ATOM 237 CZ3 TRP A 21 4.674 -12.843 4.698 1.00 0.00 C ATOM 238 CH2 TRP A 21 4.439 -14.149 4.254 1.00 0.00 C ATOM 0 H TRP A 21 2.125 -7.236 2.243 1.00 0.00 H new ATOM 0 HA TRP A 21 4.014 -9.102 3.098 1.00 0.00 H new ATOM 0 HB2 TRP A 21 1.650 -9.424 3.467 1.00 0.00 H new ATOM 0 HB3 TRP A 21 1.302 -9.346 1.752 1.00 0.00 H new ATOM 0 HD1 TRP A 21 0.743 -11.686 0.831 1.00 0.00 H new ATOM 0 HE1 TRP A 21 1.511 -14.120 1.252 1.00 0.00 H new ATOM 0 HE3 TRP A 21 4.173 -10.765 4.510 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 3.344 -15.424 2.937 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 5.405 -12.670 5.474 1.00 0.00 H new ATOM 0 HH2 TRP A 21 4.993 -14.965 4.695 1.00 0.00 H new ATOM 249 N ASP A 22 5.194 -10.101 1.196 1.00 0.00 N ATOM 250 CA ASP A 22 5.959 -10.673 0.095 1.00 0.00 C ATOM 251 C ASP A 22 5.863 -12.195 0.118 1.00 0.00 C ATOM 252 O ASP A 22 6.502 -12.849 0.941 1.00 0.00 O ATOM 253 CB ASP A 22 7.424 -10.241 0.184 1.00 0.00 C ATOM 254 CG ASP A 22 7.599 -8.746 0.000 1.00 0.00 C ATOM 255 OD1 ASP A 22 7.696 -8.298 -1.162 1.00 0.00 O ATOM 256 OD2 ASP A 22 7.639 -8.024 1.018 1.00 0.00 O ATOM 0 H ASP A 22 5.620 -10.229 2.114 1.00 0.00 H new ATOM 0 HA ASP A 22 5.541 -10.307 -0.843 1.00 0.00 H new ATOM 0 HB2 ASP A 22 7.828 -10.535 1.153 1.00 0.00 H new ATOM 0 HB3 ASP A 22 8.002 -10.768 -0.575 1.00 0.00 H new ATOM 261 N SER A 23 5.059 -12.750 -0.785 1.00 0.00 N ATOM 262 CA SER A 23 4.876 -14.196 -0.859 1.00 0.00 C ATOM 263 C SER A 23 6.045 -14.868 -1.570 1.00 0.00 C ATOM 264 O SER A 23 6.084 -16.091 -1.701 1.00 0.00 O ATOM 265 CB SER A 23 3.567 -14.533 -1.574 1.00 0.00 C ATOM 266 OG SER A 23 3.494 -13.891 -2.835 1.00 0.00 O ATOM 0 H SER A 23 4.525 -12.221 -1.474 1.00 0.00 H new ATOM 0 HA SER A 23 4.834 -14.577 0.161 1.00 0.00 H new ATOM 0 HB2 SER A 23 3.489 -15.612 -1.707 1.00 0.00 H new ATOM 0 HB3 SER A 23 2.723 -14.226 -0.957 1.00 0.00 H new ATOM 0 HG SER A 23 2.649 -14.124 -3.272 1.00 0.00 H new ATOM 272 N ILE A 24 7.000 -14.063 -2.029 1.00 0.00 N ATOM 273 CA ILE A 24 8.170 -14.591 -2.719 1.00 0.00 C ATOM 274 C ILE A 24 9.133 -15.217 -1.719 1.00 0.00 C ATOM 275 O ILE A 24 9.652 -16.312 -1.937 1.00 0.00 O ATOM 276 CB ILE A 24 8.906 -13.494 -3.520 1.00 0.00 C ATOM 277 CG1 ILE A 24 8.007 -12.938 -4.629 1.00 0.00 C ATOM 278 CG2 ILE A 24 10.199 -14.040 -4.110 1.00 0.00 C ATOM 279 CD1 ILE A 24 6.939 -11.987 -4.133 1.00 0.00 C ATOM 0 H ILE A 24 6.986 -13.047 -1.935 1.00 0.00 H new ATOM 0 HA ILE A 24 7.820 -15.349 -3.420 1.00 0.00 H new ATOM 0 HB ILE A 24 9.152 -12.681 -2.837 1.00 0.00 H new ATOM 0 HG12 ILE A 24 8.627 -12.422 -5.362 1.00 0.00 H new ATOM 0 HG13 ILE A 24 7.528 -13.769 -5.146 1.00 0.00 H new ATOM 0 HG21 ILE A 24 10.704 -13.253 -4.671 1.00 0.00 H new ATOM 0 HG22 ILE A 24 10.848 -14.386 -3.306 1.00 0.00 H new ATOM 0 HG23 ILE A 24 9.972 -14.872 -4.777 1.00 0.00 H new ATOM 0 HD11 ILE A 24 6.344 -11.636 -4.976 1.00 0.00 H new ATOM 0 HD12 ILE A 24 6.293 -12.504 -3.423 1.00 0.00 H new ATOM 0 HD13 ILE A 24 7.410 -11.135 -3.642 1.00 0.00 H new ATOM 291 N ASP A 25 9.365 -14.507 -0.622 1.00 0.00 N ATOM 292 CA ASP A 25 10.250 -14.982 0.433 1.00 0.00 C ATOM 293 C ASP A 25 9.475 -15.132 1.735 1.00 0.00 C ATOM 294 O ASP A 25 10.031 -15.522 2.762 1.00 0.00 O ATOM 295 CB ASP A 25 11.414 -14.009 0.629 1.00 0.00 C ATOM 296 CG ASP A 25 12.359 -13.991 -0.557 1.00 0.00 C ATOM 297 OD1 ASP A 25 12.125 -13.195 -1.490 1.00 0.00 O ATOM 298 OD2 ASP A 25 13.332 -14.774 -0.552 1.00 0.00 O ATOM 0 H ASP A 25 8.949 -13.594 -0.440 1.00 0.00 H new ATOM 0 HA ASP A 25 10.650 -15.953 0.142 1.00 0.00 H new ATOM 0 HB2 ASP A 25 11.021 -13.005 0.792 1.00 0.00 H new ATOM 0 HB3 ASP A 25 11.967 -14.285 1.527 1.00 0.00 H new ATOM 303 N GLN A 26 8.183 -14.819 1.675 1.00 0.00 N ATOM 304 CA GLN A 26 7.314 -14.904 2.839 1.00 0.00 C ATOM 305 C GLN A 26 7.887 -14.103 3.999 1.00 0.00 C ATOM 306 O GLN A 26 8.390 -14.664 4.973 1.00 0.00 O ATOM 307 CB GLN A 26 7.093 -16.361 3.240 1.00 0.00 C ATOM 308 CG GLN A 26 6.191 -17.106 2.272 1.00 0.00 C ATOM 309 CD GLN A 26 4.886 -17.548 2.904 1.00 0.00 C ATOM 310 OE1 GLN A 26 4.826 -17.835 4.100 1.00 0.00 O ATOM 311 NE2 GLN A 26 3.829 -17.599 2.101 1.00 0.00 N ATOM 0 H GLN A 26 7.715 -14.503 0.826 1.00 0.00 H new ATOM 0 HA GLN A 26 6.348 -14.474 2.577 1.00 0.00 H new ATOM 0 HB2 GLN A 26 8.056 -16.868 3.296 1.00 0.00 H new ATOM 0 HB3 GLN A 26 6.656 -16.396 4.238 1.00 0.00 H new ATOM 0 HG2 GLN A 26 5.976 -16.465 1.417 1.00 0.00 H new ATOM 0 HG3 GLN A 26 6.719 -17.980 1.891 1.00 0.00 H new ATOM 0 HE21 GLN A 26 3.925 -17.352 1.116 1.00 0.00 H new ATOM 0 HE22 GLN A 26 2.922 -17.885 2.470 1.00 0.00 H new ATOM 320 N LYS A 27 7.811 -12.780 3.877 1.00 0.00 N ATOM 321 CA LYS A 27 8.327 -11.884 4.905 1.00 0.00 C ATOM 322 C LYS A 27 7.927 -10.439 4.617 1.00 0.00 C ATOM 323 O LYS A 27 7.309 -10.147 3.593 1.00 0.00 O ATOM 324 CB LYS A 27 9.852 -11.994 4.984 1.00 0.00 C ATOM 325 CG LYS A 27 10.572 -11.369 3.799 1.00 0.00 C ATOM 326 CD LYS A 27 12.076 -11.577 3.889 1.00 0.00 C ATOM 327 CE LYS A 27 12.818 -10.743 2.858 1.00 0.00 C ATOM 328 NZ LYS A 27 12.418 -11.089 1.467 1.00 0.00 N ATOM 0 H LYS A 27 7.396 -12.306 3.075 1.00 0.00 H new ATOM 0 HA LYS A 27 7.895 -12.179 5.861 1.00 0.00 H new ATOM 0 HB2 LYS A 27 10.195 -11.514 5.901 1.00 0.00 H new ATOM 0 HB3 LYS A 27 10.129 -13.046 5.052 1.00 0.00 H new ATOM 0 HG2 LYS A 27 10.198 -11.805 2.873 1.00 0.00 H new ATOM 0 HG3 LYS A 27 10.353 -10.302 3.760 1.00 0.00 H new ATOM 0 HD2 LYS A 27 12.421 -11.313 4.889 1.00 0.00 H new ATOM 0 HD3 LYS A 27 12.308 -12.632 3.740 1.00 0.00 H new ATOM 0 HE2 LYS A 27 12.623 -9.686 3.039 1.00 0.00 H new ATOM 0 HE3 LYS A 27 13.891 -10.894 2.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 12.743 -10.345 0.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 12.849 -11.996 1.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 11.382 -11.168 1.413 1.00 0.00 H new ATOM 342 N TRP A 28 8.282 -9.539 5.530 1.00 0.00 N ATOM 343 CA TRP A 28 7.970 -8.123 5.374 1.00 0.00 C ATOM 344 C TRP A 28 9.216 -7.332 4.991 1.00 0.00 C ATOM 345 O TRP A 28 10.259 -7.446 5.637 1.00 0.00 O ATOM 346 CB TRP A 28 7.376 -7.558 6.667 1.00 0.00 C ATOM 347 CG TRP A 28 5.966 -7.996 6.919 1.00 0.00 C ATOM 348 CD1 TRP A 28 5.557 -9.025 7.719 1.00 0.00 C ATOM 349 CD2 TRP A 28 4.777 -7.415 6.372 1.00 0.00 C ATOM 350 NE1 TRP A 28 4.186 -9.118 7.703 1.00 0.00 N ATOM 351 CE2 TRP A 28 3.685 -8.143 6.881 1.00 0.00 C ATOM 352 CE3 TRP A 28 4.528 -6.349 5.500 1.00 0.00 C ATOM 353 CZ2 TRP A 28 2.368 -7.840 6.548 1.00 0.00 C ATOM 354 CZ3 TRP A 28 3.219 -6.051 5.171 1.00 0.00 C ATOM 355 CH2 TRP A 28 2.155 -6.795 5.695 1.00 0.00 C ATOM 0 H TRP A 28 8.787 -9.767 6.387 1.00 0.00 H new ATOM 0 HA TRP A 28 7.236 -8.028 4.574 1.00 0.00 H new ATOM 0 HB2 TRP A 28 7.999 -7.864 7.508 1.00 0.00 H new ATOM 0 HB3 TRP A 28 7.408 -6.469 6.627 1.00 0.00 H new ATOM 0 HD1 TRP A 28 6.215 -9.671 8.282 1.00 0.00 H new ATOM 0 HE1 TRP A 28 3.632 -9.801 8.219 1.00 0.00 H new ATOM 0 HE3 TRP A 28 5.343 -5.770 5.092 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 1.544 -8.411 6.950 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 3.014 -5.231 4.499 1.00 0.00 H new ATOM 0 HH2 TRP A 28 1.143 -6.537 5.419 1.00 0.00 H new ATOM 366 N THR A 29 9.102 -6.530 3.938 1.00 0.00 N ATOM 367 CA THR A 29 10.219 -5.717 3.470 1.00 0.00 C ATOM 368 C THR A 29 9.836 -4.242 3.407 1.00 0.00 C ATOM 369 O THR A 29 8.657 -3.894 3.472 1.00 0.00 O ATOM 370 CB THR A 29 10.700 -6.166 2.077 1.00 0.00 C ATOM 371 OG1 THR A 29 9.619 -6.101 1.141 1.00 0.00 O ATOM 372 CG2 THR A 29 11.249 -7.582 2.120 1.00 0.00 C ATOM 0 H THR A 29 8.247 -6.425 3.392 1.00 0.00 H new ATOM 0 HA THR A 29 11.028 -5.853 4.187 1.00 0.00 H new ATOM 0 HB THR A 29 11.498 -5.493 1.762 1.00 0.00 H new ATOM 0 HG1 THR A 29 9.249 -5.194 1.131 1.00 0.00 H new ATOM 0 HG21 THR A 29 11.581 -7.874 1.124 1.00 0.00 H new ATOM 0 HG22 THR A 29 12.091 -7.625 2.811 1.00 0.00 H new ATOM 0 HG23 THR A 29 10.469 -8.265 2.457 1.00 0.00 H new ATOM 380 N ARG A 30 10.840 -3.380 3.283 1.00 0.00 N ATOM 381 CA ARG A 30 10.611 -1.942 3.210 1.00 0.00 C ATOM 382 C ARG A 30 10.541 -1.479 1.757 1.00 0.00 C ATOM 383 O ARG A 30 11.480 -1.679 0.987 1.00 0.00 O ATOM 384 CB ARG A 30 11.722 -1.193 3.948 1.00 0.00 C ATOM 385 CG ARG A 30 11.519 0.312 3.994 1.00 0.00 C ATOM 386 CD ARG A 30 12.606 0.993 4.809 1.00 0.00 C ATOM 387 NE ARG A 30 12.623 0.531 6.194 1.00 0.00 N ATOM 388 CZ ARG A 30 13.437 1.019 7.125 1.00 0.00 C ATOM 389 NH1 ARG A 30 14.297 1.982 6.822 1.00 0.00 N ATOM 390 NH2 ARG A 30 13.390 0.545 8.363 1.00 0.00 N ATOM 0 H ARG A 30 11.821 -3.653 3.231 1.00 0.00 H new ATOM 0 HA ARG A 30 9.656 -1.722 3.688 1.00 0.00 H new ATOM 0 HB2 ARG A 30 11.789 -1.573 4.967 1.00 0.00 H new ATOM 0 HB3 ARG A 30 12.675 -1.407 3.465 1.00 0.00 H new ATOM 0 HG2 ARG A 30 11.518 0.712 2.980 1.00 0.00 H new ATOM 0 HG3 ARG A 30 10.544 0.536 4.426 1.00 0.00 H new ATOM 0 HD2 ARG A 30 13.576 0.801 4.351 1.00 0.00 H new ATOM 0 HD3 ARG A 30 12.452 2.072 4.789 1.00 0.00 H new ATOM 0 HE ARG A 30 11.973 -0.208 6.463 1.00 0.00 H new ATOM 0 HH11 ARG A 30 14.336 2.351 5.872 1.00 0.00 H new ATOM 0 HH12 ARG A 30 14.920 2.354 7.539 1.00 0.00 H new ATOM 0 HH21 ARG A 30 12.729 -0.194 8.601 1.00 0.00 H new ATOM 0 HH22 ARG A 30 14.015 0.920 9.077 1.00 0.00 H new ATOM 404 N HIS A 31 9.423 -0.860 1.389 1.00 0.00 N ATOM 405 CA HIS A 31 9.230 -0.376 0.027 1.00 0.00 C ATOM 406 C HIS A 31 9.069 1.140 -0.002 1.00 0.00 C ATOM 407 O HIS A 31 8.799 1.767 1.023 1.00 0.00 O ATOM 408 CB HIS A 31 7.994 -1.024 -0.602 1.00 0.00 C ATOM 409 CG HIS A 31 7.938 -2.512 -0.448 1.00 0.00 C ATOM 410 ND1 HIS A 31 8.247 -3.387 -1.469 1.00 0.00 N ATOM 411 CD2 HIS A 31 7.587 -3.280 0.609 1.00 0.00 C ATOM 412 CE1 HIS A 31 8.086 -4.627 -1.045 1.00 0.00 C ATOM 413 NE2 HIS A 31 7.686 -4.589 0.211 1.00 0.00 N ATOM 0 H HIS A 31 8.638 -0.682 2.015 1.00 0.00 H new ATOM 0 HA HIS A 31 10.117 -0.648 -0.546 1.00 0.00 H new ATOM 0 HB2 HIS A 31 7.101 -0.589 -0.153 1.00 0.00 H new ATOM 0 HB3 HIS A 31 7.969 -0.778 -1.664 1.00 0.00 H new ATOM 0 HD2 HIS A 31 7.285 -2.928 1.584 1.00 0.00 H new ATOM 0 HE1 HIS A 31 8.253 -5.521 -1.628 1.00 0.00 H new ATOM 0 HE2 HIS A 31 7.483 -5.402 0.793 1.00 0.00 H new ATOM 422 N TYR A 32 9.236 1.720 -1.186 1.00 0.00 N ATOM 423 CA TYR A 32 9.090 3.159 -1.366 1.00 0.00 C ATOM 424 C TYR A 32 7.818 3.456 -2.152 1.00 0.00 C ATOM 425 O TYR A 32 7.804 3.379 -3.382 1.00 0.00 O ATOM 426 CB TYR A 32 10.309 3.734 -2.093 1.00 0.00 C ATOM 427 CG TYR A 32 10.276 5.240 -2.235 1.00 0.00 C ATOM 428 CD1 TYR A 32 10.703 6.065 -1.202 1.00 0.00 C ATOM 429 CD2 TYR A 32 9.820 5.836 -3.405 1.00 0.00 C ATOM 430 CE1 TYR A 32 10.674 7.440 -1.329 1.00 0.00 C ATOM 431 CE2 TYR A 32 9.790 7.211 -3.540 1.00 0.00 C ATOM 432 CZ TYR A 32 10.218 8.009 -2.499 1.00 0.00 C ATOM 433 OH TYR A 32 10.189 9.378 -2.629 1.00 0.00 O ATOM 0 H TYR A 32 9.474 1.213 -2.038 1.00 0.00 H new ATOM 0 HA TYR A 32 9.020 3.631 -0.386 1.00 0.00 H new ATOM 0 HB2 TYR A 32 11.212 3.448 -1.553 1.00 0.00 H new ATOM 0 HB3 TYR A 32 10.375 3.285 -3.084 1.00 0.00 H new ATOM 0 HD1 TYR A 32 11.064 5.624 -0.285 1.00 0.00 H new ATOM 0 HD2 TYR A 32 9.484 5.214 -4.222 1.00 0.00 H new ATOM 0 HE1 TYR A 32 11.007 8.067 -0.515 1.00 0.00 H new ATOM 0 HE2 TYR A 32 9.433 7.659 -4.456 1.00 0.00 H new ATOM 0 HH TYR A 32 9.842 9.615 -3.514 1.00 0.00 H new ATOM 443 N CYS A 33 6.751 3.789 -1.436 1.00 0.00 N ATOM 444 CA CYS A 33 5.466 4.076 -2.063 1.00 0.00 C ATOM 445 C CYS A 33 5.347 5.542 -2.466 1.00 0.00 C ATOM 446 O CYS A 33 6.098 6.394 -1.989 1.00 0.00 O ATOM 447 CB CYS A 33 4.325 3.703 -1.116 1.00 0.00 C ATOM 448 SG CYS A 33 4.216 1.934 -0.753 1.00 0.00 S ATOM 0 H CYS A 33 6.750 3.867 -0.419 1.00 0.00 H new ATOM 0 HA CYS A 33 5.400 3.475 -2.970 1.00 0.00 H new ATOM 0 HB2 CYS A 33 4.451 4.248 -0.180 1.00 0.00 H new ATOM 0 HB3 CYS A 33 3.382 4.032 -1.553 1.00 0.00 H new ATOM 0 HG CYS A 33 3.210 1.715 0.040 1.00 0.00 H new ATOM 454 N ALA A 34 4.394 5.821 -3.351 1.00 0.00 N ATOM 455 CA ALA A 34 4.154 7.176 -3.831 1.00 0.00 C ATOM 456 C ALA A 34 2.840 7.250 -4.603 1.00 0.00 C ATOM 457 O ALA A 34 2.704 6.654 -5.672 1.00 0.00 O ATOM 458 CB ALA A 34 5.310 7.643 -4.705 1.00 0.00 C ATOM 0 H ALA A 34 3.772 5.120 -3.752 1.00 0.00 H new ATOM 0 HA ALA A 34 4.082 7.837 -2.967 1.00 0.00 H new ATOM 0 HB1 ALA A 34 5.115 8.657 -5.055 1.00 0.00 H new ATOM 0 HB2 ALA A 34 6.233 7.631 -4.125 1.00 0.00 H new ATOM 0 HB3 ALA A 34 5.411 6.976 -5.561 1.00 0.00 H new ATOM 464 N ILE A 35 1.876 7.981 -4.055 1.00 0.00 N ATOM 465 CA ILE A 35 0.571 8.124 -4.689 1.00 0.00 C ATOM 466 C ILE A 35 0.552 9.306 -5.653 1.00 0.00 C ATOM 467 O ILE A 35 0.656 10.462 -5.240 1.00 0.00 O ATOM 468 CB ILE A 35 -0.549 8.298 -3.640 1.00 0.00 C ATOM 469 CG1 ILE A 35 -0.714 7.007 -2.831 1.00 0.00 C ATOM 470 CG2 ILE A 35 -1.860 8.683 -4.313 1.00 0.00 C ATOM 471 CD1 ILE A 35 -1.770 7.092 -1.750 1.00 0.00 C ATOM 0 H ILE A 35 1.974 8.484 -3.173 1.00 0.00 H new ATOM 0 HA ILE A 35 0.388 7.207 -5.249 1.00 0.00 H new ATOM 0 HB ILE A 35 -0.270 9.103 -2.960 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -0.968 6.194 -3.511 1.00 0.00 H new ATOM 0 HG13 ILE A 35 0.242 6.752 -2.373 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -2.636 8.801 -3.557 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.731 9.623 -4.850 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.152 7.901 -5.014 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.827 6.140 -1.222 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.508 7.882 -1.046 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -2.736 7.315 -2.202 1.00 0.00 H new ATOM 483 N ALA A 36 0.420 9.004 -6.940 1.00 0.00 N ATOM 484 CA ALA A 36 0.385 10.031 -7.974 1.00 0.00 C ATOM 485 C ALA A 36 -1.006 10.140 -8.590 1.00 0.00 C ATOM 486 O ALA A 36 -1.541 9.161 -9.110 1.00 0.00 O ATOM 487 CB ALA A 36 1.415 9.726 -9.050 1.00 0.00 C ATOM 0 H ALA A 36 0.335 8.051 -7.293 1.00 0.00 H new ATOM 0 HA ALA A 36 0.627 10.988 -7.512 1.00 0.00 H new ATOM 0 HB1 ALA A 36 1.380 10.500 -9.817 1.00 0.00 H new ATOM 0 HB2 ALA A 36 2.410 9.701 -8.605 1.00 0.00 H new ATOM 0 HB3 ALA A 36 1.195 8.758 -9.501 1.00 0.00 H new ATOM 493 N ASP A 37 -1.582 11.339 -8.528 1.00 0.00 N ATOM 494 CA ASP A 37 -2.912 11.591 -9.080 1.00 0.00 C ATOM 495 C ASP A 37 -3.979 10.775 -8.353 1.00 0.00 C ATOM 496 O ASP A 37 -4.623 11.270 -7.426 1.00 0.00 O ATOM 497 CB ASP A 37 -2.941 11.278 -10.579 1.00 0.00 C ATOM 498 CG ASP A 37 -1.959 12.122 -11.365 1.00 0.00 C ATOM 499 OD1 ASP A 37 -0.793 11.698 -11.510 1.00 0.00 O ATOM 500 OD2 ASP A 37 -2.355 13.208 -11.838 1.00 0.00 O ATOM 0 H ASP A 37 -1.146 12.155 -8.099 1.00 0.00 H new ATOM 0 HA ASP A 37 -3.135 12.648 -8.935 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -2.712 10.223 -10.731 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -3.948 11.445 -10.963 1.00 0.00 H new ATOM 505 N ALA A 38 -4.162 9.527 -8.774 1.00 0.00 N ATOM 506 CA ALA A 38 -5.156 8.652 -8.159 1.00 0.00 C ATOM 507 C ALA A 38 -4.662 7.212 -8.089 1.00 0.00 C ATOM 508 O ALA A 38 -5.414 6.307 -7.728 1.00 0.00 O ATOM 509 CB ALA A 38 -6.466 8.721 -8.929 1.00 0.00 C ATOM 0 H ALA A 38 -3.637 9.099 -9.537 1.00 0.00 H new ATOM 0 HA ALA A 38 -5.322 8.999 -7.139 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -7.199 8.064 -8.460 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -6.839 9.745 -8.921 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -6.300 8.403 -9.958 1.00 0.00 H new ATOM 515 N LYS A 39 -3.397 7.002 -8.439 1.00 0.00 N ATOM 516 CA LYS A 39 -2.808 5.669 -8.414 1.00 0.00 C ATOM 517 C LYS A 39 -1.625 5.607 -7.454 1.00 0.00 C ATOM 518 O LYS A 39 -1.032 6.633 -7.116 1.00 0.00 O ATOM 519 CB LYS A 39 -2.364 5.263 -9.817 1.00 0.00 C ATOM 520 CG LYS A 39 -3.524 5.057 -10.776 1.00 0.00 C ATOM 521 CD LYS A 39 -3.051 4.543 -12.125 1.00 0.00 C ATOM 522 CE LYS A 39 -4.202 4.435 -13.111 1.00 0.00 C ATOM 523 NZ LYS A 39 -3.752 3.933 -14.439 1.00 0.00 N ATOM 0 H LYS A 39 -2.760 7.739 -8.743 1.00 0.00 H new ATOM 0 HA LYS A 39 -3.568 4.972 -8.062 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -1.702 6.030 -10.218 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -1.784 4.342 -9.755 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -4.232 4.349 -10.345 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -4.056 5.998 -10.911 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -2.289 5.212 -12.524 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -2.584 3.566 -12.000 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -4.963 3.766 -12.709 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -4.669 5.412 -13.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -4.567 3.874 -15.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -3.045 4.585 -14.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -3.329 2.989 -14.328 1.00 0.00 H new ATOM 537 N LEU A 40 -1.288 4.398 -7.015 1.00 0.00 N ATOM 538 CA LEU A 40 -0.174 4.198 -6.095 1.00 0.00 C ATOM 539 C LEU A 40 0.873 3.268 -6.701 1.00 0.00 C ATOM 540 O LEU A 40 0.595 2.103 -6.974 1.00 0.00 O ATOM 541 CB LEU A 40 -0.679 3.622 -4.769 1.00 0.00 C ATOM 542 CG LEU A 40 0.409 3.095 -3.829 1.00 0.00 C ATOM 543 CD1 LEU A 40 1.373 4.208 -3.445 1.00 0.00 C ATOM 544 CD2 LEU A 40 -0.215 2.476 -2.587 1.00 0.00 C ATOM 0 H LEU A 40 -1.772 3.541 -7.282 1.00 0.00 H new ATOM 0 HA LEU A 40 0.291 5.166 -5.910 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.244 4.395 -4.248 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.374 2.810 -4.985 1.00 0.00 H new ATOM 0 HG LEU A 40 0.971 2.323 -4.354 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.138 3.812 -2.777 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.846 4.606 -4.343 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.827 5.004 -2.940 1.00 0.00 H new ATOM 0 HD21 LEU A 40 0.572 2.107 -1.930 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.803 3.229 -2.062 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.862 1.649 -2.879 1.00 0.00 H new ATOM 556 N SER A 41 2.081 3.790 -6.898 1.00 0.00 N ATOM 557 CA SER A 41 3.167 3.003 -7.474 1.00 0.00 C ATOM 558 C SER A 41 4.222 2.678 -6.424 1.00 0.00 C ATOM 559 O SER A 41 4.821 3.578 -5.835 1.00 0.00 O ATOM 560 CB SER A 41 3.812 3.757 -8.638 1.00 0.00 C ATOM 561 OG SER A 41 4.182 5.069 -8.254 1.00 0.00 O ATOM 0 H SER A 41 2.332 4.752 -6.668 1.00 0.00 H new ATOM 0 HA SER A 41 2.744 2.068 -7.842 1.00 0.00 H new ATOM 0 HB2 SER A 41 4.692 3.214 -8.984 1.00 0.00 H new ATOM 0 HB3 SER A 41 3.116 3.803 -9.476 1.00 0.00 H new ATOM 0 HG SER A 41 4.664 5.037 -7.402 1.00 0.00 H new ATOM 567 N PHE A 42 4.447 1.388 -6.194 1.00 0.00 N ATOM 568 CA PHE A 42 5.440 0.954 -5.218 1.00 0.00 C ATOM 569 C PHE A 42 6.688 0.429 -5.919 1.00 0.00 C ATOM 570 O PHE A 42 6.600 -0.364 -6.858 1.00 0.00 O ATOM 571 CB PHE A 42 4.858 -0.115 -4.289 1.00 0.00 C ATOM 572 CG PHE A 42 4.346 -1.336 -4.999 1.00 0.00 C ATOM 573 CD1 PHE A 42 3.050 -1.378 -5.488 1.00 0.00 C ATOM 574 CD2 PHE A 42 5.159 -2.446 -5.169 1.00 0.00 C ATOM 575 CE1 PHE A 42 2.575 -2.503 -6.134 1.00 0.00 C ATOM 576 CE2 PHE A 42 4.689 -3.574 -5.814 1.00 0.00 C ATOM 577 CZ PHE A 42 3.396 -3.602 -6.297 1.00 0.00 C ATOM 0 H PHE A 42 3.958 0.629 -6.668 1.00 0.00 H new ATOM 0 HA PHE A 42 5.721 1.816 -4.613 1.00 0.00 H new ATOM 0 HB2 PHE A 42 5.625 -0.418 -3.577 1.00 0.00 H new ATOM 0 HB3 PHE A 42 4.044 0.325 -3.713 1.00 0.00 H new ATOM 0 HD1 PHE A 42 2.404 -0.522 -5.363 1.00 0.00 H new ATOM 0 HD2 PHE A 42 6.171 -2.429 -4.793 1.00 0.00 H new ATOM 0 HE1 PHE A 42 1.563 -2.523 -6.511 1.00 0.00 H new ATOM 0 HE2 PHE A 42 5.332 -4.432 -5.940 1.00 0.00 H new ATOM 0 HZ PHE A 42 3.027 -4.482 -6.802 1.00 0.00 H new ATOM 587 N SER A 43 7.851 0.881 -5.462 1.00 0.00 N ATOM 588 CA SER A 43 9.119 0.466 -6.049 1.00 0.00 C ATOM 589 C SER A 43 9.730 -0.699 -5.277 1.00 0.00 C ATOM 590 O SER A 43 9.189 -1.137 -4.261 1.00 0.00 O ATOM 591 CB SER A 43 10.098 1.639 -6.081 1.00 0.00 C ATOM 592 OG SER A 43 9.546 2.746 -6.773 1.00 0.00 O ATOM 0 H SER A 43 7.941 1.536 -4.685 1.00 0.00 H new ATOM 0 HA SER A 43 8.922 0.135 -7.069 1.00 0.00 H new ATOM 0 HB2 SER A 43 10.352 1.933 -5.062 1.00 0.00 H new ATOM 0 HB3 SER A 43 11.025 1.330 -6.564 1.00 0.00 H new ATOM 0 HG SER A 43 10.191 3.484 -6.778 1.00 0.00 H new ATOM 598 N ASP A 44 10.861 -1.197 -5.769 1.00 0.00 N ATOM 599 CA ASP A 44 11.551 -2.310 -5.129 1.00 0.00 C ATOM 600 C ASP A 44 12.103 -1.896 -3.769 1.00 0.00 C ATOM 601 O ASP A 44 12.184 -0.707 -3.459 1.00 0.00 O ATOM 602 CB ASP A 44 12.689 -2.811 -6.021 1.00 0.00 C ATOM 603 CG ASP A 44 13.729 -1.741 -6.287 1.00 0.00 C ATOM 604 OD1 ASP A 44 13.561 -0.980 -7.263 1.00 0.00 O ATOM 605 OD2 ASP A 44 14.712 -1.665 -5.520 1.00 0.00 O ATOM 0 H ASP A 44 11.319 -0.846 -6.610 1.00 0.00 H new ATOM 0 HA ASP A 44 10.832 -3.115 -4.981 1.00 0.00 H new ATOM 0 HB2 ASP A 44 13.167 -3.669 -5.548 1.00 0.00 H new ATOM 0 HB3 ASP A 44 12.278 -3.158 -6.969 1.00 0.00 H new ATOM 610 N ASP A 45 12.481 -2.882 -2.961 1.00 0.00 N ATOM 611 CA ASP A 45 13.028 -2.617 -1.636 1.00 0.00 C ATOM 612 C ASP A 45 14.259 -1.721 -1.729 1.00 0.00 C ATOM 613 O ASP A 45 14.974 -1.735 -2.731 1.00 0.00 O ATOM 614 CB ASP A 45 13.388 -3.929 -0.941 1.00 0.00 C ATOM 615 CG ASP A 45 12.223 -4.898 -0.907 1.00 0.00 C ATOM 616 OD1 ASP A 45 11.150 -4.519 -0.394 1.00 0.00 O ATOM 617 OD2 ASP A 45 12.383 -6.035 -1.399 1.00 0.00 O ATOM 0 H ASP A 45 12.418 -3.871 -3.201 1.00 0.00 H new ATOM 0 HA ASP A 45 12.268 -2.101 -1.050 1.00 0.00 H new ATOM 0 HB2 ASP A 45 14.229 -4.393 -1.457 1.00 0.00 H new ATOM 0 HB3 ASP A 45 13.715 -3.721 0.078 1.00 0.00 H new ATOM 622 N ILE A 46 14.499 -0.940 -0.680 1.00 0.00 N ATOM 623 CA ILE A 46 15.644 -0.039 -0.646 1.00 0.00 C ATOM 624 C ILE A 46 16.770 -0.613 0.207 1.00 0.00 C ATOM 625 O ILE A 46 17.852 -0.034 0.298 1.00 0.00 O ATOM 626 CB ILE A 46 15.253 1.347 -0.098 1.00 0.00 C ATOM 627 CG1 ILE A 46 14.708 1.223 1.327 1.00 0.00 C ATOM 628 CG2 ILE A 46 14.228 2.005 -1.012 1.00 0.00 C ATOM 629 CD1 ILE A 46 14.464 2.555 2.002 1.00 0.00 C ATOM 0 H ILE A 46 13.916 -0.914 0.157 1.00 0.00 H new ATOM 0 HA ILE A 46 15.991 0.071 -1.674 1.00 0.00 H new ATOM 0 HB ILE A 46 16.143 1.976 -0.069 1.00 0.00 H new ATOM 0 HG12 ILE A 46 13.774 0.662 1.302 1.00 0.00 H new ATOM 0 HG13 ILE A 46 15.411 0.645 1.927 1.00 0.00 H new ATOM 0 HG21 ILE A 46 13.960 2.984 -0.613 1.00 0.00 H new ATOM 0 HG22 ILE A 46 14.652 2.123 -2.009 1.00 0.00 H new ATOM 0 HG23 ILE A 46 13.337 1.380 -1.069 1.00 0.00 H new ATOM 0 HD11 ILE A 46 14.078 2.388 3.008 1.00 0.00 H new ATOM 0 HD12 ILE A 46 15.400 3.111 2.060 1.00 0.00 H new ATOM 0 HD13 ILE A 46 13.737 3.127 1.425 1.00 0.00 H new ATOM 641 N GLU A 47 16.505 -1.756 0.831 1.00 0.00 N ATOM 642 CA GLU A 47 17.492 -2.414 1.679 1.00 0.00 C ATOM 643 C GLU A 47 17.244 -3.918 1.736 1.00 0.00 C ATOM 644 O GLU A 47 18.184 -4.710 1.816 1.00 0.00 O ATOM 645 CB GLU A 47 17.460 -1.822 3.090 1.00 0.00 C ATOM 646 CG GLU A 47 16.080 -1.839 3.728 1.00 0.00 C ATOM 647 CD GLU A 47 16.074 -1.236 5.118 1.00 0.00 C ATOM 648 OE1 GLU A 47 16.294 -1.987 6.092 1.00 0.00 O ATOM 649 OE2 GLU A 47 15.847 -0.013 5.234 1.00 0.00 O ATOM 0 H GLU A 47 15.613 -2.247 0.765 1.00 0.00 H new ATOM 0 HA GLU A 47 18.478 -2.244 1.246 1.00 0.00 H new ATOM 0 HB2 GLU A 47 18.151 -2.378 3.724 1.00 0.00 H new ATOM 0 HB3 GLU A 47 17.820 -0.794 3.052 1.00 0.00 H new ATOM 0 HG2 GLU A 47 15.384 -1.289 3.094 1.00 0.00 H new ATOM 0 HG3 GLU A 47 15.720 -2.867 3.780 1.00 0.00 H new ATOM 841 N ARG A 61 7.425 -1.288 -9.529 1.00 0.00 N ATOM 842 CA ARG A 61 7.253 -2.709 -9.243 1.00 0.00 C ATOM 843 C ARG A 61 5.773 -3.068 -9.190 1.00 0.00 C ATOM 844 O ARG A 61 5.405 -4.186 -8.828 1.00 0.00 O ATOM 845 CB ARG A 61 7.925 -3.069 -7.917 1.00 0.00 C ATOM 846 CG ARG A 61 9.441 -2.954 -7.948 1.00 0.00 C ATOM 847 CD ARG A 61 10.064 -4.029 -8.822 1.00 0.00 C ATOM 848 NE ARG A 61 11.512 -3.879 -8.929 1.00 0.00 N ATOM 849 CZ ARG A 61 12.313 -4.807 -9.442 1.00 0.00 C ATOM 850 NH1 ARG A 61 11.810 -5.947 -9.896 1.00 0.00 N ATOM 851 NH2 ARG A 61 13.622 -4.595 -9.505 1.00 0.00 N ATOM 0 HA ARG A 61 7.723 -3.279 -10.044 1.00 0.00 H new ATOM 0 HB2 ARG A 61 7.536 -2.418 -7.134 1.00 0.00 H new ATOM 0 HB3 ARG A 61 7.652 -4.089 -7.647 1.00 0.00 H new ATOM 0 HG2 ARG A 61 9.725 -1.970 -8.322 1.00 0.00 H new ATOM 0 HG3 ARG A 61 9.834 -3.035 -6.934 1.00 0.00 H new ATOM 0 HD2 ARG A 61 9.831 -5.011 -8.410 1.00 0.00 H new ATOM 0 HD3 ARG A 61 9.621 -3.988 -9.817 1.00 0.00 H new ATOM 0 HE ARG A 61 11.933 -3.013 -8.591 1.00 0.00 H new ATOM 0 HH11 ARG A 61 10.805 -6.114 -9.852 1.00 0.00 H new ATOM 0 HH12 ARG A 61 12.428 -6.657 -10.289 1.00 0.00 H new ATOM 0 HH21 ARG A 61 14.014 -3.719 -9.159 1.00 0.00 H new ATOM 0 HH22 ARG A 61 14.236 -5.308 -9.899 1.00 0.00 H new ATOM 865 N GLY A 62 4.930 -2.108 -9.557 1.00 0.00 N ATOM 866 CA GLY A 62 3.497 -2.328 -9.544 1.00 0.00 C ATOM 867 C GLY A 62 2.733 -1.072 -9.173 1.00 0.00 C ATOM 868 O GLY A 62 3.244 -0.223 -8.442 1.00 0.00 O ATOM 0 H GLY A 62 5.216 -1.178 -9.864 1.00 0.00 H new ATOM 0 HA2 GLY A 62 3.174 -2.672 -10.527 1.00 0.00 H new ATOM 0 HA3 GLY A 62 3.258 -3.120 -8.835 1.00 0.00 H new ATOM 872 N ILE A 63 1.510 -0.953 -9.677 1.00 0.00 N ATOM 873 CA ILE A 63 0.683 0.215 -9.395 1.00 0.00 C ATOM 874 C ILE A 63 -0.768 -0.178 -9.138 1.00 0.00 C ATOM 875 O ILE A 63 -1.308 -1.068 -9.795 1.00 0.00 O ATOM 876 CB ILE A 63 0.719 1.225 -10.560 1.00 0.00 C ATOM 877 CG1 ILE A 63 2.165 1.558 -10.936 1.00 0.00 C ATOM 878 CG2 ILE A 63 -0.043 2.489 -10.185 1.00 0.00 C ATOM 879 CD1 ILE A 63 2.286 2.512 -12.106 1.00 0.00 C ATOM 0 H ILE A 63 1.070 -1.648 -10.281 1.00 0.00 H new ATOM 0 HA ILE A 63 1.097 0.678 -8.500 1.00 0.00 H new ATOM 0 HB ILE A 63 0.236 0.775 -11.427 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.665 1.993 -10.071 1.00 0.00 H new ATOM 0 HG13 ILE A 63 2.691 0.634 -11.176 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.010 3.194 -11.016 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -1.080 2.237 -9.964 1.00 0.00 H new ATOM 0 HG23 ILE A 63 0.415 2.943 -9.306 1.00 0.00 H new ATOM 0 HD11 ILE A 63 3.339 2.701 -12.314 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.816 2.071 -12.985 1.00 0.00 H new ATOM 0 HD13 ILE A 63 1.790 3.452 -11.862 1.00 0.00 H new ATOM 891 N LEU A 64 -1.393 0.496 -8.177 1.00 0.00 N ATOM 892 CA LEU A 64 -2.786 0.237 -7.840 1.00 0.00 C ATOM 893 C LEU A 64 -3.676 1.326 -8.423 1.00 0.00 C ATOM 894 O LEU A 64 -3.631 2.474 -7.980 1.00 0.00 O ATOM 895 CB LEU A 64 -2.984 0.174 -6.319 1.00 0.00 C ATOM 896 CG LEU A 64 -2.350 -1.027 -5.607 1.00 0.00 C ATOM 897 CD1 LEU A 64 -2.821 -2.333 -6.232 1.00 0.00 C ATOM 898 CD2 LEU A 64 -0.831 -0.936 -5.637 1.00 0.00 C ATOM 0 H LEU A 64 -0.954 1.227 -7.618 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.061 -0.728 -8.266 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.578 1.086 -5.882 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -4.054 0.170 -6.112 1.00 0.00 H new ATOM 0 HG LEU A 64 -2.670 -1.010 -4.565 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.359 -3.172 -5.712 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.905 -2.406 -6.148 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.536 -2.357 -7.284 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.405 -1.799 -5.126 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.488 -0.921 -6.671 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.511 -0.023 -5.135 1.00 0.00 H new ATOM 910 N ASP A 65 -4.475 0.968 -9.423 1.00 0.00 N ATOM 911 CA ASP A 65 -5.376 1.924 -10.057 1.00 0.00 C ATOM 912 C ASP A 65 -6.213 2.652 -9.009 1.00 0.00 C ATOM 913 O ASP A 65 -6.614 3.799 -9.207 1.00 0.00 O ATOM 914 CB ASP A 65 -6.290 1.211 -11.056 1.00 0.00 C ATOM 915 CG ASP A 65 -7.003 0.023 -10.442 1.00 0.00 C ATOM 916 OD1 ASP A 65 -8.095 0.217 -9.871 1.00 0.00 O ATOM 917 OD2 ASP A 65 -6.468 -1.102 -10.530 1.00 0.00 O ATOM 0 H ASP A 65 -4.517 0.026 -9.811 1.00 0.00 H new ATOM 0 HA ASP A 65 -4.774 2.659 -10.591 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -7.028 1.917 -11.437 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -5.700 0.876 -11.909 1.00 0.00 H new ATOM 922 N LEU A 66 -6.467 1.973 -7.892 1.00 0.00 N ATOM 923 CA LEU A 66 -7.252 2.541 -6.798 1.00 0.00 C ATOM 924 C LEU A 66 -8.678 2.864 -7.237 1.00 0.00 C ATOM 925 O LEU A 66 -9.461 3.424 -6.470 1.00 0.00 O ATOM 926 CB LEU A 66 -6.570 3.792 -6.242 1.00 0.00 C ATOM 927 CG LEU A 66 -5.269 3.532 -5.479 1.00 0.00 C ATOM 928 CD1 LEU A 66 -4.569 4.842 -5.153 1.00 0.00 C ATOM 929 CD2 LEU A 66 -5.542 2.742 -4.208 1.00 0.00 C ATOM 0 H LEU A 66 -6.138 1.023 -7.720 1.00 0.00 H new ATOM 0 HA LEU A 66 -7.309 1.790 -6.010 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -6.360 4.471 -7.068 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -7.267 4.304 -5.578 1.00 0.00 H new ATOM 0 HG LEU A 66 -4.611 2.940 -6.116 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -3.646 4.636 -4.611 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -4.336 5.370 -6.078 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -5.222 5.460 -4.537 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -4.605 2.567 -3.680 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -6.220 3.306 -3.567 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -5.997 1.786 -4.465 1.00 0.00 H new ATOM 941 N ASN A 67 -9.011 2.512 -8.476 1.00 0.00 N ATOM 942 CA ASN A 67 -10.349 2.750 -9.004 1.00 0.00 C ATOM 943 C ASN A 67 -11.159 1.458 -8.995 1.00 0.00 C ATOM 944 O ASN A 67 -12.362 1.464 -9.254 1.00 0.00 O ATOM 945 CB ASN A 67 -10.279 3.312 -10.426 1.00 0.00 C ATOM 946 CG ASN A 67 -9.777 4.742 -10.463 1.00 0.00 C ATOM 947 OD1 ASN A 67 -10.551 5.688 -10.311 1.00 0.00 O ATOM 948 ND2 ASN A 67 -8.478 4.909 -10.674 1.00 0.00 N ATOM 0 H ASN A 67 -8.373 2.061 -9.132 1.00 0.00 H new ATOM 0 HA ASN A 67 -10.841 3.483 -8.365 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -9.623 2.685 -11.029 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -11.269 3.266 -10.880 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -8.085 5.849 -10.715 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -7.872 4.097 -10.795 1.00 0.00 H new ATOM 955 N THR A 68 -10.484 0.351 -8.693 1.00 0.00 N ATOM 956 CA THR A 68 -11.131 -0.955 -8.649 1.00 0.00 C ATOM 957 C THR A 68 -10.556 -1.813 -7.525 1.00 0.00 C ATOM 958 O THR A 68 -9.984 -2.873 -7.771 1.00 0.00 O ATOM 959 CB THR A 68 -10.973 -1.711 -9.983 1.00 0.00 C ATOM 960 OG1 THR A 68 -9.586 -1.944 -10.254 1.00 0.00 O ATOM 961 CG2 THR A 68 -11.590 -0.927 -11.131 1.00 0.00 C ATOM 0 H THR A 68 -9.488 0.334 -8.475 1.00 0.00 H new ATOM 0 HA THR A 68 -12.190 -0.775 -8.466 1.00 0.00 H new ATOM 0 HB THR A 68 -11.493 -2.665 -9.894 1.00 0.00 H new ATOM 0 HG1 THR A 68 -9.045 -1.265 -9.798 1.00 0.00 H new ATOM 0 HG21 THR A 68 -11.465 -1.483 -12.060 1.00 0.00 H new ATOM 0 HG22 THR A 68 -12.652 -0.776 -10.939 1.00 0.00 H new ATOM 0 HG23 THR A 68 -11.096 0.041 -11.218 1.00 0.00 H new ATOM 969 N TYR A 69 -10.705 -1.342 -6.289 1.00 0.00 N ATOM 970 CA TYR A 69 -10.209 -2.071 -5.126 1.00 0.00 C ATOM 971 C TYR A 69 -11.057 -1.770 -3.893 1.00 0.00 C ATOM 972 O TYR A 69 -11.916 -0.889 -3.915 1.00 0.00 O ATOM 973 CB TYR A 69 -8.750 -1.702 -4.828 1.00 0.00 C ATOM 974 CG TYR A 69 -7.730 -2.494 -5.615 1.00 0.00 C ATOM 975 CD1 TYR A 69 -7.283 -2.059 -6.856 1.00 0.00 C ATOM 976 CD2 TYR A 69 -7.206 -3.676 -5.107 1.00 0.00 C ATOM 977 CE1 TYR A 69 -6.345 -2.780 -7.569 1.00 0.00 C ATOM 978 CE2 TYR A 69 -6.268 -4.402 -5.812 1.00 0.00 C ATOM 979 CZ TYR A 69 -5.840 -3.951 -7.043 1.00 0.00 C ATOM 980 OH TYR A 69 -4.906 -4.673 -7.750 1.00 0.00 O ATOM 0 H TYR A 69 -11.165 -0.459 -6.068 1.00 0.00 H new ATOM 0 HA TYR A 69 -10.272 -3.134 -5.359 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -8.607 -0.642 -5.036 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -8.562 -1.847 -3.764 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -7.675 -1.142 -7.270 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -7.539 -4.033 -4.143 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -6.009 -2.429 -8.533 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -5.871 -5.319 -5.402 1.00 0.00 H new ATOM 0 HH TYR A 69 -4.653 -5.470 -7.239 1.00 0.00 H new ATOM 990 N ASN A 70 -10.807 -2.515 -2.820 1.00 0.00 N ATOM 991 CA ASN A 70 -11.526 -2.326 -1.566 1.00 0.00 C ATOM 992 C ASN A 70 -10.564 -2.421 -0.386 1.00 0.00 C ATOM 993 O ASN A 70 -9.775 -3.359 -0.292 1.00 0.00 O ATOM 994 CB ASN A 70 -12.639 -3.366 -1.418 1.00 0.00 C ATOM 995 CG ASN A 70 -13.734 -3.197 -2.452 1.00 0.00 C ATOM 996 OD1 ASN A 70 -13.603 -3.898 -3.572 1.00 0.00 O flip ATOM 997 ND2 ASN A 70 -14.689 -2.448 -2.246 1.00 0.00 N flip ATOM 0 H ASN A 70 -10.109 -3.258 -2.795 1.00 0.00 H new ATOM 0 HA ASN A 70 -11.977 -1.334 -1.577 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -12.212 -4.365 -1.506 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -13.071 -3.291 -0.420 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -14.750 -1.928 -1.371 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -15.420 -2.348 -2.951 1.00 0.00 H new ATOM 1004 N VAL A 71 -10.636 -1.451 0.517 1.00 0.00 N ATOM 1005 CA VAL A 71 -9.757 -1.434 1.680 1.00 0.00 C ATOM 1006 C VAL A 71 -10.442 -2.049 2.897 1.00 0.00 C ATOM 1007 O VAL A 71 -11.587 -1.723 3.210 1.00 0.00 O ATOM 1008 CB VAL A 71 -9.309 0.001 2.024 1.00 0.00 C ATOM 1009 CG1 VAL A 71 -8.315 -0.010 3.174 1.00 0.00 C ATOM 1010 CG2 VAL A 71 -8.709 0.684 0.803 1.00 0.00 C ATOM 0 H VAL A 71 -11.290 -0.670 0.467 1.00 0.00 H new ATOM 0 HA VAL A 71 -8.880 -2.028 1.423 1.00 0.00 H new ATOM 0 HB VAL A 71 -10.187 0.568 2.335 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -8.011 1.012 3.402 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -8.781 -0.455 4.053 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -7.439 -0.595 2.893 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -8.399 1.695 1.067 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -7.844 0.118 0.458 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -9.454 0.729 0.008 1.00 0.00 H new ATOM 1020 N VAL A 72 -9.729 -2.943 3.576 1.00 0.00 N ATOM 1021 CA VAL A 72 -10.259 -3.614 4.758 1.00 0.00 C ATOM 1022 C VAL A 72 -9.200 -3.711 5.850 1.00 0.00 C ATOM 1023 O VAL A 72 -8.137 -4.298 5.648 1.00 0.00 O ATOM 1024 CB VAL A 72 -10.773 -5.028 4.423 1.00 0.00 C ATOM 1025 CG1 VAL A 72 -12.204 -4.970 3.911 1.00 0.00 C ATOM 1026 CG2 VAL A 72 -9.864 -5.709 3.413 1.00 0.00 C ATOM 0 H VAL A 72 -8.780 -3.220 3.326 1.00 0.00 H new ATOM 0 HA VAL A 72 -11.095 -3.013 5.117 1.00 0.00 H new ATOM 0 HB VAL A 72 -10.762 -5.620 5.338 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -12.549 -5.978 3.680 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -12.846 -4.533 4.675 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -12.244 -4.358 3.010 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -10.247 -6.705 3.192 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -9.834 -5.121 2.496 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -8.858 -5.790 3.825 1.00 0.00 H new ATOM 1036 N LYS A 73 -9.498 -3.134 7.010 1.00 0.00 N ATOM 1037 CA LYS A 73 -8.566 -3.147 8.131 1.00 0.00 C ATOM 1038 C LYS A 73 -8.530 -4.511 8.813 1.00 0.00 C ATOM 1039 O LYS A 73 -9.451 -4.872 9.546 1.00 0.00 O ATOM 1040 CB LYS A 73 -8.951 -2.072 9.150 1.00 0.00 C ATOM 1041 CG LYS A 73 -8.016 -2.005 10.348 1.00 0.00 C ATOM 1042 CD LYS A 73 -8.456 -0.945 11.346 1.00 0.00 C ATOM 1043 CE LYS A 73 -9.787 -1.297 11.990 1.00 0.00 C ATOM 1044 NZ LYS A 73 -9.725 -2.594 12.720 1.00 0.00 N ATOM 0 H LYS A 73 -10.377 -2.652 7.198 1.00 0.00 H new ATOM 0 HA LYS A 73 -7.572 -2.937 7.737 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -8.963 -1.101 8.654 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -9.965 -2.263 9.501 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -7.984 -2.977 10.840 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -7.004 -1.787 10.008 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -7.695 -0.835 12.119 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -8.539 0.018 10.841 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -10.077 -0.505 12.681 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -10.559 -1.349 11.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -10.550 -2.679 13.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -9.727 -3.378 12.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -8.854 -2.632 13.287 1.00 0.00 H new ATOM 1058 N ALA A 74 -7.463 -5.266 8.564 1.00 0.00 N ATOM 1059 CA ALA A 74 -7.304 -6.580 9.175 1.00 0.00 C ATOM 1060 C ALA A 74 -6.925 -6.436 10.651 1.00 0.00 C ATOM 1061 O ALA A 74 -5.898 -5.834 10.974 1.00 0.00 O ATOM 1062 CB ALA A 74 -6.248 -7.385 8.430 1.00 0.00 C ATOM 0 H ALA A 74 -6.700 -4.991 7.946 1.00 0.00 H new ATOM 0 HA ALA A 74 -8.253 -7.112 9.111 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -6.140 -8.364 8.897 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -6.552 -7.511 7.391 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -5.295 -6.858 8.468 1.00 0.00 H new ATOM 1068 N PRO A 75 -7.746 -6.988 11.569 1.00 0.00 N ATOM 1069 CA PRO A 75 -7.498 -6.907 13.010 1.00 0.00 C ATOM 1070 C PRO A 75 -6.451 -7.908 13.488 1.00 0.00 C ATOM 1071 O PRO A 75 -5.339 -7.529 13.855 1.00 0.00 O ATOM 1072 CB PRO A 75 -8.864 -7.230 13.639 1.00 0.00 C ATOM 1073 CG PRO A 75 -9.817 -7.410 12.498 1.00 0.00 C ATOM 1074 CD PRO A 75 -8.983 -7.720 11.290 1.00 0.00 C ATOM 0 HA PRO A 75 -7.104 -5.929 13.288 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -8.809 -8.133 14.247 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -9.191 -6.424 14.296 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -10.519 -8.219 12.703 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -10.408 -6.508 12.340 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -8.807 -8.790 11.181 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -9.458 -7.380 10.370 1.00 0.00 H new ATOM 1082 N GLN A 76 -6.817 -9.187 13.487 1.00 0.00 N ATOM 1083 CA GLN A 76 -5.916 -10.247 13.928 1.00 0.00 C ATOM 1084 C GLN A 76 -4.600 -10.207 13.158 1.00 0.00 C ATOM 1085 O GLN A 76 -3.583 -10.728 13.620 1.00 0.00 O ATOM 1086 CB GLN A 76 -6.583 -11.613 13.753 1.00 0.00 C ATOM 1087 CG GLN A 76 -5.745 -12.773 14.267 1.00 0.00 C ATOM 1088 CD GLN A 76 -6.437 -14.111 14.104 1.00 0.00 C ATOM 1089 OE1 GLN A 76 -7.665 -14.196 14.135 1.00 0.00 O ATOM 1090 NE2 GLN A 76 -5.651 -15.167 13.930 1.00 0.00 N ATOM 0 H GLN A 76 -7.734 -9.515 13.185 1.00 0.00 H new ATOM 0 HA GLN A 76 -5.698 -10.086 14.984 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -7.540 -11.609 14.274 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -6.796 -11.771 12.696 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -4.794 -12.793 13.735 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -5.517 -12.612 15.321 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -4.638 -15.051 13.911 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -6.060 -16.094 13.816 1.00 0.00 H new ATOM 1099 N GLY A 77 -4.624 -9.584 11.986 1.00 0.00 N ATOM 1100 CA GLY A 77 -3.429 -9.490 11.170 1.00 0.00 C ATOM 1101 C GLY A 77 -3.512 -10.356 9.931 1.00 0.00 C ATOM 1102 O GLY A 77 -4.598 -10.787 9.541 1.00 0.00 O ATOM 0 H GLY A 77 -5.451 -9.142 11.586 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -3.273 -8.452 10.876 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -2.563 -9.787 11.761 1.00 0.00 H new ATOM 1106 N LYS A 78 -2.367 -10.616 9.310 1.00 0.00 N ATOM 1107 CA LYS A 78 -2.328 -11.439 8.108 1.00 0.00 C ATOM 1108 C LYS A 78 -1.146 -12.406 8.120 1.00 0.00 C ATOM 1109 O LYS A 78 -1.212 -13.483 7.527 1.00 0.00 O ATOM 1110 CB LYS A 78 -2.275 -10.556 6.862 1.00 0.00 C ATOM 1111 CG LYS A 78 -3.648 -10.218 6.303 1.00 0.00 C ATOM 1112 CD LYS A 78 -4.391 -11.462 5.834 1.00 0.00 C ATOM 1113 CE LYS A 78 -3.695 -12.121 4.654 1.00 0.00 C ATOM 1114 NZ LYS A 78 -4.408 -13.348 4.202 1.00 0.00 N ATOM 0 H LYS A 78 -1.458 -10.271 9.617 1.00 0.00 H new ATOM 0 HA LYS A 78 -3.241 -12.034 8.088 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -1.751 -9.631 7.103 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -1.692 -11.061 6.092 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -4.236 -9.710 7.067 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -3.540 -9.524 5.470 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -4.465 -12.173 6.656 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -5.409 -11.193 5.552 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -3.632 -11.413 3.828 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -2.673 -12.377 4.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -3.901 -13.767 3.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -4.446 -14.035 4.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -5.375 -13.100 3.912 1.00 0.00 H new ATOM 1128 N ASN A 79 -0.067 -12.022 8.795 1.00 0.00 N ATOM 1129 CA ASN A 79 1.120 -12.868 8.875 1.00 0.00 C ATOM 1130 C ASN A 79 1.751 -12.798 10.262 1.00 0.00 C ATOM 1131 O ASN A 79 1.498 -13.650 11.114 1.00 0.00 O ATOM 1132 CB ASN A 79 2.140 -12.454 7.814 1.00 0.00 C ATOM 1133 CG ASN A 79 1.591 -12.577 6.405 1.00 0.00 C ATOM 1134 OD1 ASN A 79 1.708 -13.625 5.771 1.00 0.00 O ATOM 1135 ND2 ASN A 79 0.989 -11.502 5.910 1.00 0.00 N ATOM 0 H ASN A 79 0.011 -11.135 9.292 1.00 0.00 H new ATOM 0 HA ASN A 79 0.813 -13.897 8.691 1.00 0.00 H new ATOM 0 HB2 ASN A 79 2.448 -11.424 7.992 1.00 0.00 H new ATOM 0 HB3 ASN A 79 3.031 -13.074 7.909 1.00 0.00 H new ATOM 0 HD21 ASN A 79 0.600 -11.524 4.967 1.00 0.00 H new ATOM 0 HD22 ASN A 79 0.915 -10.654 6.473 1.00 0.00 H new ATOM 1142 N GLN A 80 2.573 -11.778 10.480 1.00 0.00 N ATOM 1143 CA GLN A 80 3.242 -11.591 11.763 1.00 0.00 C ATOM 1144 C GLN A 80 2.995 -10.184 12.289 1.00 0.00 C ATOM 1145 O GLN A 80 3.575 -9.770 13.293 1.00 0.00 O ATOM 1146 CB GLN A 80 4.743 -11.843 11.619 1.00 0.00 C ATOM 1147 CG GLN A 80 5.080 -13.256 11.167 1.00 0.00 C ATOM 1148 CD GLN A 80 4.648 -14.312 12.167 1.00 0.00 C ATOM 1149 OE1 GLN A 80 4.657 -13.956 13.448 1.00 0.00 O flip ATOM 1150 NE2 GLN A 80 4.313 -15.435 11.794 1.00 0.00 N flip ATOM 0 H GLN A 80 2.793 -11.066 9.783 1.00 0.00 H new ATOM 0 HA GLN A 80 2.832 -12.307 12.475 1.00 0.00 H new ATOM 0 HB2 GLN A 80 5.156 -11.133 10.903 1.00 0.00 H new ATOM 0 HB3 GLN A 80 5.229 -11.650 12.575 1.00 0.00 H new ATOM 0 HG2 GLN A 80 4.598 -13.451 10.209 1.00 0.00 H new ATOM 0 HG3 GLN A 80 6.155 -13.334 11.005 1.00 0.00 H new ATOM 0 HE21 GLN A 80 4.321 -15.666 10.800 1.00 0.00 H new ATOM 0 HE22 GLN A 80 4.027 -16.136 12.478 1.00 0.00 H new ATOM 1159 N LYS A 81 2.126 -9.454 11.598 1.00 0.00 N ATOM 1160 CA LYS A 81 1.791 -8.090 11.977 1.00 0.00 C ATOM 1161 C LYS A 81 0.522 -8.054 12.821 1.00 0.00 C ATOM 1162 O LYS A 81 -0.020 -9.096 13.194 1.00 0.00 O ATOM 1163 CB LYS A 81 1.596 -7.235 10.725 1.00 0.00 C ATOM 1164 CG LYS A 81 2.852 -7.083 9.893 1.00 0.00 C ATOM 1165 CD LYS A 81 3.850 -6.148 10.551 1.00 0.00 C ATOM 1166 CE LYS A 81 5.155 -6.107 9.779 1.00 0.00 C ATOM 1167 NZ LYS A 81 6.087 -5.076 10.314 1.00 0.00 N ATOM 0 H LYS A 81 1.639 -9.789 10.767 1.00 0.00 H new ATOM 0 HA LYS A 81 2.614 -7.690 12.570 1.00 0.00 H new ATOM 0 HB2 LYS A 81 0.814 -7.680 10.109 1.00 0.00 H new ATOM 0 HB3 LYS A 81 1.245 -6.247 11.021 1.00 0.00 H new ATOM 0 HG2 LYS A 81 3.311 -8.060 9.745 1.00 0.00 H new ATOM 0 HG3 LYS A 81 2.591 -6.701 8.906 1.00 0.00 H new ATOM 0 HD2 LYS A 81 3.428 -5.145 10.610 1.00 0.00 H new ATOM 0 HD3 LYS A 81 4.039 -6.475 11.573 1.00 0.00 H new ATOM 0 HE2 LYS A 81 5.633 -7.086 9.823 1.00 0.00 H new ATOM 0 HE3 LYS A 81 4.949 -5.900 8.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 6.966 -5.081 9.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 5.642 -4.138 10.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 6.305 -5.288 11.309 1.00 0.00 H new ATOM 1181 N SER A 82 0.055 -6.847 13.117 1.00 0.00 N ATOM 1182 CA SER A 82 -1.158 -6.661 13.902 1.00 0.00 C ATOM 1183 C SER A 82 -2.108 -5.718 13.175 1.00 0.00 C ATOM 1184 O SER A 82 -3.265 -6.053 12.924 1.00 0.00 O ATOM 1185 CB SER A 82 -0.823 -6.107 15.288 1.00 0.00 C ATOM 1186 OG SER A 82 -1.995 -5.923 16.062 1.00 0.00 O ATOM 0 H SER A 82 0.501 -5.978 12.823 1.00 0.00 H new ATOM 0 HA SER A 82 -1.643 -7.629 14.027 1.00 0.00 H new ATOM 0 HB2 SER A 82 -0.148 -6.791 15.802 1.00 0.00 H new ATOM 0 HB3 SER A 82 -0.298 -5.157 15.186 1.00 0.00 H new ATOM 0 HG SER A 82 -2.162 -4.965 16.180 1.00 0.00 H new ATOM 1192 N PHE A 83 -1.606 -4.534 12.838 1.00 0.00 N ATOM 1193 CA PHE A 83 -2.394 -3.543 12.120 1.00 0.00 C ATOM 1194 C PHE A 83 -2.175 -3.703 10.619 1.00 0.00 C ATOM 1195 O PHE A 83 -1.241 -3.131 10.055 1.00 0.00 O ATOM 1196 CB PHE A 83 -2.001 -2.129 12.553 1.00 0.00 C ATOM 1197 CG PHE A 83 -1.704 -1.994 14.020 1.00 0.00 C ATOM 1198 CD1 PHE A 83 -2.631 -2.388 14.973 1.00 0.00 C ATOM 1199 CD2 PHE A 83 -0.495 -1.467 14.444 1.00 0.00 C ATOM 1200 CE1 PHE A 83 -2.354 -2.258 16.321 1.00 0.00 C ATOM 1201 CE2 PHE A 83 -0.214 -1.334 15.789 1.00 0.00 C ATOM 1202 CZ PHE A 83 -1.144 -1.731 16.730 1.00 0.00 C ATOM 0 H PHE A 83 -0.654 -4.239 13.052 1.00 0.00 H new ATOM 0 HA PHE A 83 -3.448 -3.698 12.352 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -1.123 -1.818 11.986 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -2.808 -1.444 12.293 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -3.579 -2.800 14.659 1.00 0.00 H new ATOM 0 HD2 PHE A 83 0.237 -1.156 13.713 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -3.083 -2.568 17.055 1.00 0.00 H new ATOM 0 HE2 PHE A 83 0.732 -0.920 16.105 1.00 0.00 H new ATOM 0 HZ PHE A 83 -0.926 -1.630 17.783 1.00 0.00 H new ATOM 1212 N VAL A 84 -3.033 -4.489 9.976 1.00 0.00 N ATOM 1213 CA VAL A 84 -2.909 -4.739 8.544 1.00 0.00 C ATOM 1214 C VAL A 84 -4.126 -4.237 7.771 1.00 0.00 C ATOM 1215 O VAL A 84 -5.211 -4.090 8.327 1.00 0.00 O ATOM 1216 CB VAL A 84 -2.715 -6.249 8.270 1.00 0.00 C ATOM 1217 CG1 VAL A 84 -2.789 -6.561 6.781 1.00 0.00 C ATOM 1218 CG2 VAL A 84 -1.395 -6.732 8.848 1.00 0.00 C ATOM 0 H VAL A 84 -3.819 -4.962 10.422 1.00 0.00 H new ATOM 0 HA VAL A 84 -2.034 -4.188 8.199 1.00 0.00 H new ATOM 0 HB VAL A 84 -3.529 -6.781 8.763 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -2.648 -7.631 6.626 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -3.764 -6.263 6.395 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -2.008 -6.012 6.255 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -1.277 -7.796 8.645 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -0.574 -6.182 8.389 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -1.387 -6.565 9.925 1.00 0.00 H new ATOM 1228 N PHE A 85 -3.918 -3.955 6.488 1.00 0.00 N ATOM 1229 CA PHE A 85 -4.982 -3.497 5.600 1.00 0.00 C ATOM 1230 C PHE A 85 -4.876 -4.233 4.270 1.00 0.00 C ATOM 1231 O PHE A 85 -3.826 -4.215 3.626 1.00 0.00 O ATOM 1232 CB PHE A 85 -4.895 -1.988 5.369 1.00 0.00 C ATOM 1233 CG PHE A 85 -5.459 -1.160 6.488 1.00 0.00 C ATOM 1234 CD1 PHE A 85 -4.794 -1.054 7.697 1.00 0.00 C ATOM 1235 CD2 PHE A 85 -6.652 -0.477 6.321 1.00 0.00 C ATOM 1236 CE1 PHE A 85 -5.308 -0.282 8.721 1.00 0.00 C ATOM 1237 CE2 PHE A 85 -7.173 0.296 7.341 1.00 0.00 C ATOM 1238 CZ PHE A 85 -6.500 0.394 8.542 1.00 0.00 C ATOM 0 H PHE A 85 -3.008 -4.037 6.035 1.00 0.00 H new ATOM 0 HA PHE A 85 -5.943 -3.711 6.067 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -3.850 -1.714 5.220 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -5.423 -1.742 4.448 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -3.862 -1.581 7.842 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -7.181 -0.549 5.382 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -4.779 -0.207 9.660 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -8.105 0.823 7.199 1.00 0.00 H new ATOM 0 HZ PHE A 85 -6.904 0.998 9.341 1.00 0.00 H new ATOM 1248 N ILE A 86 -5.960 -4.876 3.857 1.00 0.00 N ATOM 1249 CA ILE A 86 -5.960 -5.639 2.616 1.00 0.00 C ATOM 1250 C ILE A 86 -6.738 -4.943 1.504 1.00 0.00 C ATOM 1251 O ILE A 86 -7.812 -4.387 1.731 1.00 0.00 O ATOM 1252 CB ILE A 86 -6.568 -7.037 2.835 1.00 0.00 C ATOM 1253 CG1 ILE A 86 -5.860 -7.753 3.986 1.00 0.00 C ATOM 1254 CG2 ILE A 86 -6.482 -7.861 1.556 1.00 0.00 C ATOM 1255 CD1 ILE A 86 -6.552 -9.027 4.419 1.00 0.00 C ATOM 0 H ILE A 86 -6.847 -4.885 4.361 1.00 0.00 H new ATOM 0 HA ILE A 86 -4.917 -5.722 2.311 1.00 0.00 H new ATOM 0 HB ILE A 86 -7.619 -6.921 3.098 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -4.839 -7.987 3.685 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -5.794 -7.077 4.838 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -6.916 -8.846 1.728 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -7.031 -7.357 0.761 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -5.438 -7.971 1.263 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -5.996 -9.483 5.238 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -7.564 -8.796 4.751 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -6.595 -9.721 3.580 1.00 0.00 H new ATOM 1267 N LEU A 87 -6.178 -4.977 0.298 1.00 0.00 N ATOM 1268 CA LEU A 87 -6.826 -4.395 -0.868 1.00 0.00 C ATOM 1269 C LEU A 87 -7.496 -5.498 -1.674 1.00 0.00 C ATOM 1270 O LEU A 87 -6.865 -6.501 -2.010 1.00 0.00 O ATOM 1271 CB LEU A 87 -5.818 -3.645 -1.744 1.00 0.00 C ATOM 1272 CG LEU A 87 -5.357 -2.290 -1.202 1.00 0.00 C ATOM 1273 CD1 LEU A 87 -4.351 -1.653 -2.149 1.00 0.00 C ATOM 1274 CD2 LEU A 87 -6.546 -1.364 -0.991 1.00 0.00 C ATOM 0 H LEU A 87 -5.272 -5.404 0.105 1.00 0.00 H new ATOM 0 HA LEU A 87 -7.574 -3.678 -0.529 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -4.942 -4.278 -1.884 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -6.261 -3.492 -2.728 1.00 0.00 H new ATOM 0 HG LEU A 87 -4.873 -2.453 -0.239 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -4.033 -0.690 -1.749 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -3.485 -2.306 -2.253 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -4.813 -1.505 -3.125 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -6.197 -0.406 -0.605 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -7.059 -1.208 -1.940 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -7.235 -1.814 -0.276 1.00 0.00 H new ATOM 1286 N GLU A 88 -8.772 -5.312 -1.982 1.00 0.00 N ATOM 1287 CA GLU A 88 -9.525 -6.307 -2.733 1.00 0.00 C ATOM 1288 C GLU A 88 -9.937 -5.758 -4.095 1.00 0.00 C ATOM 1289 O GLU A 88 -10.856 -4.946 -4.190 1.00 0.00 O ATOM 1290 CB GLU A 88 -10.760 -6.741 -1.942 1.00 0.00 C ATOM 1291 CG GLU A 88 -10.434 -7.323 -0.576 1.00 0.00 C ATOM 1292 CD GLU A 88 -11.673 -7.735 0.194 1.00 0.00 C ATOM 1293 OE1 GLU A 88 -12.221 -6.891 0.935 1.00 0.00 O ATOM 1294 OE2 GLU A 88 -12.098 -8.901 0.055 1.00 0.00 O ATOM 0 H GLU A 88 -9.307 -4.483 -1.724 1.00 0.00 H new ATOM 0 HA GLU A 88 -8.885 -7.174 -2.893 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -11.419 -5.883 -1.814 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -11.310 -7.482 -2.522 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -9.783 -8.189 -0.700 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -9.878 -6.587 0.005 1.00 0.00 H new ATOM 1301 N PRO A 89 -9.262 -6.200 -5.170 1.00 0.00 N ATOM 1302 CA PRO A 89 -9.559 -5.738 -6.529 1.00 0.00 C ATOM 1303 C PRO A 89 -10.998 -6.017 -6.939 1.00 0.00 C ATOM 1304 O PRO A 89 -11.622 -6.963 -6.458 1.00 0.00 O ATOM 1305 CB PRO A 89 -8.590 -6.534 -7.410 1.00 0.00 C ATOM 1306 CG PRO A 89 -8.147 -7.681 -6.568 1.00 0.00 C ATOM 1307 CD PRO A 89 -8.168 -7.184 -5.154 1.00 0.00 C ATOM 0 HA PRO A 89 -9.442 -4.658 -6.617 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -9.079 -6.880 -8.320 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -7.743 -5.921 -7.717 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -8.812 -8.536 -6.692 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -7.147 -8.011 -6.851 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -8.359 -7.990 -4.445 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -7.219 -6.729 -4.871 1.00 0.00 H new ATOM 1315 N LYS A 90 -11.516 -5.184 -7.832 1.00 0.00 N ATOM 1316 CA LYS A 90 -12.880 -5.329 -8.318 1.00 0.00 C ATOM 1317 C LYS A 90 -12.881 -5.637 -9.809 1.00 0.00 C ATOM 1318 O LYS A 90 -13.938 -5.773 -10.425 1.00 0.00 O ATOM 1319 CB LYS A 90 -13.679 -4.053 -8.050 1.00 0.00 C ATOM 1320 CG LYS A 90 -13.576 -3.560 -6.615 1.00 0.00 C ATOM 1321 CD LYS A 90 -14.406 -2.304 -6.391 1.00 0.00 C ATOM 1322 CE LYS A 90 -15.894 -2.580 -6.544 1.00 0.00 C ATOM 1323 NZ LYS A 90 -16.712 -1.358 -6.307 1.00 0.00 N ATOM 0 H LYS A 90 -11.008 -4.397 -8.236 1.00 0.00 H new ATOM 0 HA LYS A 90 -13.349 -6.157 -7.786 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -13.330 -3.268 -8.721 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -14.727 -4.234 -8.289 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -13.911 -4.344 -5.936 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -12.533 -3.355 -6.375 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -14.209 -1.911 -5.394 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -14.103 -1.536 -7.102 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -16.092 -2.961 -7.546 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -16.193 -3.359 -5.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -17.720 -1.588 -6.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -16.543 -1.009 -5.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -16.445 -0.623 -6.993 1.00 0.00 H new ATOM 1337 N GLN A 91 -11.686 -5.747 -10.386 1.00 0.00 N ATOM 1338 CA GLN A 91 -11.556 -6.035 -11.810 1.00 0.00 C ATOM 1339 C GLN A 91 -11.315 -7.520 -12.054 1.00 0.00 C ATOM 1340 O GLN A 91 -10.434 -8.126 -11.446 1.00 0.00 O ATOM 1341 CB GLN A 91 -10.423 -5.211 -12.422 1.00 0.00 C ATOM 1342 CG GLN A 91 -10.130 -5.556 -13.875 1.00 0.00 C ATOM 1343 CD GLN A 91 -9.013 -4.716 -14.461 1.00 0.00 C ATOM 1344 OE1 GLN A 91 -8.810 -3.568 -14.066 1.00 0.00 O ATOM 1345 NE2 GLN A 91 -8.281 -5.285 -15.411 1.00 0.00 N ATOM 0 H GLN A 91 -10.800 -5.642 -9.892 1.00 0.00 H new ATOM 0 HA GLN A 91 -12.494 -5.759 -12.292 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -10.677 -4.153 -12.353 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -9.518 -5.360 -11.833 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -9.863 -6.610 -13.947 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -11.034 -5.415 -14.467 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -8.484 -6.239 -15.708 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -7.516 -4.768 -15.844 1.00 0.00 H new ATOM 1354 N GLN A 92 -12.109 -8.090 -12.955 1.00 0.00 N ATOM 1355 CA GLN A 92 -12.009 -9.506 -13.308 1.00 0.00 C ATOM 1356 C GLN A 92 -11.844 -10.387 -12.074 1.00 0.00 C ATOM 1357 O GLN A 92 -12.826 -10.800 -11.457 1.00 0.00 O ATOM 1358 CB GLN A 92 -10.848 -9.734 -14.278 1.00 0.00 C ATOM 1359 CG GLN A 92 -11.294 -9.959 -15.712 1.00 0.00 C ATOM 1360 CD GLN A 92 -10.130 -10.084 -16.677 1.00 0.00 C ATOM 1361 OE1 GLN A 92 -9.031 -9.400 -16.375 1.00 0.00 O flip ATOM 1362 NE2 GLN A 92 -10.217 -10.785 -17.684 1.00 0.00 N flip ATOM 0 H GLN A 92 -12.838 -7.587 -13.461 1.00 0.00 H new ATOM 0 HA GLN A 92 -12.943 -9.788 -13.795 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -10.181 -8.872 -14.244 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -10.271 -10.597 -13.945 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -11.900 -10.864 -15.762 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -11.931 -9.131 -16.024 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -11.079 -11.294 -17.878 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -9.427 -10.858 -18.325 1.00 0.00 H new ATOM 1371 N GLY A 93 -10.596 -10.670 -11.722 1.00 0.00 N ATOM 1372 CA GLY A 93 -10.319 -11.503 -10.573 1.00 0.00 C ATOM 1373 C GLY A 93 -8.907 -11.306 -10.064 1.00 0.00 C ATOM 1374 O GLY A 93 -8.279 -12.245 -9.572 1.00 0.00 O ATOM 0 H GLY A 93 -9.769 -10.335 -12.216 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -11.028 -11.273 -9.778 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -10.467 -12.550 -10.839 1.00 0.00 H new ATOM 1378 N ASP A 94 -8.409 -10.080 -10.191 1.00 0.00 N ATOM 1379 CA ASP A 94 -7.056 -9.748 -9.746 1.00 0.00 C ATOM 1380 C ASP A 94 -6.822 -10.218 -8.309 1.00 0.00 C ATOM 1381 O ASP A 94 -7.773 -10.469 -7.568 1.00 0.00 O ATOM 1382 CB ASP A 94 -6.815 -8.239 -9.842 1.00 0.00 C ATOM 1383 CG ASP A 94 -7.702 -7.566 -10.869 1.00 0.00 C ATOM 1384 OD1 ASP A 94 -7.595 -7.911 -12.065 1.00 0.00 O ATOM 1385 OD2 ASP A 94 -8.501 -6.691 -10.478 1.00 0.00 O ATOM 0 H ASP A 94 -8.921 -9.298 -10.599 1.00 0.00 H new ATOM 0 HA ASP A 94 -6.353 -10.264 -10.400 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -6.988 -7.785 -8.866 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -5.771 -8.058 -10.097 1.00 0.00 H new ATOM 1390 N PRO A 95 -5.546 -10.347 -7.897 1.00 0.00 N ATOM 1391 CA PRO A 95 -5.189 -10.790 -6.550 1.00 0.00 C ATOM 1392 C PRO A 95 -5.169 -9.645 -5.537 1.00 0.00 C ATOM 1393 O PRO A 95 -5.006 -8.482 -5.908 1.00 0.00 O ATOM 1394 CB PRO A 95 -3.783 -11.344 -6.750 1.00 0.00 C ATOM 1395 CG PRO A 95 -3.202 -10.495 -7.830 1.00 0.00 C ATOM 1396 CD PRO A 95 -4.349 -10.082 -8.719 1.00 0.00 C ATOM 0 HA PRO A 95 -5.906 -11.504 -6.146 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -3.196 -11.279 -5.834 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -3.807 -12.395 -7.039 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -2.704 -9.621 -7.410 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -2.453 -11.048 -8.396 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -4.280 -9.031 -8.998 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -4.364 -10.657 -9.645 1.00 0.00 H new ATOM 1404 N PRO A 96 -5.334 -9.961 -4.237 1.00 0.00 N ATOM 1405 CA PRO A 96 -5.327 -8.959 -3.171 1.00 0.00 C ATOM 1406 C PRO A 96 -3.912 -8.589 -2.733 1.00 0.00 C ATOM 1407 O PRO A 96 -2.947 -9.260 -3.098 1.00 0.00 O ATOM 1408 CB PRO A 96 -6.067 -9.667 -2.040 1.00 0.00 C ATOM 1409 CG PRO A 96 -5.736 -11.109 -2.224 1.00 0.00 C ATOM 1410 CD PRO A 96 -5.550 -11.323 -3.706 1.00 0.00 C ATOM 0 HA PRO A 96 -5.781 -8.018 -3.482 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -5.741 -9.306 -1.065 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -7.142 -9.495 -2.100 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -4.830 -11.371 -1.678 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -6.535 -11.742 -1.838 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -4.699 -11.972 -3.912 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -6.425 -11.793 -4.155 1.00 0.00 H new ATOM 1418 N VAL A 97 -3.795 -7.519 -1.950 1.00 0.00 N ATOM 1419 CA VAL A 97 -2.493 -7.065 -1.464 1.00 0.00 C ATOM 1420 C VAL A 97 -2.564 -6.658 0.006 1.00 0.00 C ATOM 1421 O VAL A 97 -3.428 -5.873 0.400 1.00 0.00 O ATOM 1422 CB VAL A 97 -1.965 -5.876 -2.291 1.00 0.00 C ATOM 1423 CG1 VAL A 97 -0.566 -5.487 -1.839 1.00 0.00 C ATOM 1424 CG2 VAL A 97 -1.980 -6.206 -3.777 1.00 0.00 C ATOM 0 H VAL A 97 -4.583 -6.951 -1.639 1.00 0.00 H new ATOM 0 HA VAL A 97 -1.807 -7.905 -1.572 1.00 0.00 H new ATOM 0 HB VAL A 97 -2.625 -5.024 -2.125 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -0.212 -4.646 -2.435 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -0.590 -5.202 -0.787 1.00 0.00 H new ATOM 0 HG13 VAL A 97 0.107 -6.334 -1.970 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -1.604 -5.354 -4.343 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -1.347 -7.073 -3.963 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -3.000 -6.427 -4.090 1.00 0.00 H new ATOM 1434 N GLU A 98 -1.650 -7.191 0.813 1.00 0.00 N ATOM 1435 CA GLU A 98 -1.611 -6.884 2.240 1.00 0.00 C ATOM 1436 C GLU A 98 -0.606 -5.776 2.542 1.00 0.00 C ATOM 1437 O GLU A 98 0.473 -5.722 1.951 1.00 0.00 O ATOM 1438 CB GLU A 98 -1.249 -8.134 3.043 1.00 0.00 C ATOM 1439 CG GLU A 98 -2.344 -9.188 3.072 1.00 0.00 C ATOM 1440 CD GLU A 98 -2.679 -9.725 1.694 1.00 0.00 C ATOM 1441 OE1 GLU A 98 -1.990 -10.663 1.239 1.00 0.00 O ATOM 1442 OE2 GLU A 98 -3.631 -9.210 1.072 1.00 0.00 O ATOM 0 H GLU A 98 -0.926 -7.838 0.502 1.00 0.00 H new ATOM 0 HA GLU A 98 -2.603 -6.539 2.531 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -0.345 -8.575 2.622 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -1.014 -7.841 4.066 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -2.031 -10.013 3.712 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -3.242 -8.761 3.519 1.00 0.00 H new ATOM 1449 N PHE A 99 -0.972 -4.896 3.469 1.00 0.00 N ATOM 1450 CA PHE A 99 -0.105 -3.789 3.871 1.00 0.00 C ATOM 1451 C PHE A 99 0.006 -3.723 5.394 1.00 0.00 C ATOM 1452 O PHE A 99 -0.869 -4.212 6.106 1.00 0.00 O ATOM 1453 CB PHE A 99 -0.653 -2.461 3.350 1.00 0.00 C ATOM 1454 CG PHE A 99 -0.812 -2.388 1.859 1.00 0.00 C ATOM 1455 CD1 PHE A 99 -1.848 -3.055 1.226 1.00 0.00 C ATOM 1456 CD2 PHE A 99 0.066 -1.641 1.092 1.00 0.00 C ATOM 1457 CE1 PHE A 99 -2.004 -2.979 -0.144 1.00 0.00 C ATOM 1458 CE2 PHE A 99 -0.083 -1.563 -0.279 1.00 0.00 C ATOM 1459 CZ PHE A 99 -1.120 -2.233 -0.897 1.00 0.00 C ATOM 0 H PHE A 99 -1.866 -4.927 3.959 1.00 0.00 H new ATOM 0 HA PHE A 99 0.882 -3.963 3.443 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -1.622 -2.277 3.814 1.00 0.00 H new ATOM 0 HB3 PHE A 99 0.012 -1.659 3.670 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -2.542 -3.641 1.811 1.00 0.00 H new ATOM 0 HD2 PHE A 99 0.877 -1.113 1.571 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -2.817 -3.503 -0.626 1.00 0.00 H new ATOM 0 HE2 PHE A 99 0.610 -0.979 -0.866 1.00 0.00 H new ATOM 0 HZ PHE A 99 -1.239 -2.173 -1.969 1.00 0.00 H new ATOM 1469 N ALA A 100 1.081 -3.114 5.891 1.00 0.00 N ATOM 1470 CA ALA A 100 1.279 -2.988 7.332 1.00 0.00 C ATOM 1471 C ALA A 100 2.248 -1.860 7.675 1.00 0.00 C ATOM 1472 O ALA A 100 3.176 -1.571 6.918 1.00 0.00 O ATOM 1473 CB ALA A 100 1.774 -4.304 7.915 1.00 0.00 C ATOM 0 H ALA A 100 1.822 -2.704 5.322 1.00 0.00 H new ATOM 0 HA ALA A 100 0.315 -2.740 7.776 1.00 0.00 H new ATOM 0 HB1 ALA A 100 1.917 -4.195 8.990 1.00 0.00 H new ATOM 0 HB2 ALA A 100 1.039 -5.086 7.724 1.00 0.00 H new ATOM 0 HB3 ALA A 100 2.721 -4.575 7.449 1.00 0.00 H new ATOM 1479 N THR A 101 2.021 -1.225 8.824 1.00 0.00 N ATOM 1480 CA THR A 101 2.871 -0.131 9.286 1.00 0.00 C ATOM 1481 C THR A 101 3.541 -0.490 10.609 1.00 0.00 C ATOM 1482 O THR A 101 3.445 -1.625 11.074 1.00 0.00 O ATOM 1483 CB THR A 101 2.067 1.171 9.467 1.00 0.00 C ATOM 1484 OG1 THR A 101 0.982 0.956 10.376 1.00 0.00 O ATOM 1485 CG2 THR A 101 1.529 1.666 8.133 1.00 0.00 C ATOM 0 H THR A 101 1.251 -1.452 9.454 1.00 0.00 H new ATOM 0 HA THR A 101 3.631 0.029 8.522 1.00 0.00 H new ATOM 0 HB THR A 101 2.735 1.930 9.874 1.00 0.00 H new ATOM 0 HG1 THR A 101 1.092 1.534 11.159 1.00 0.00 H new ATOM 0 HG21 THR A 101 0.965 2.586 8.287 1.00 0.00 H new ATOM 0 HG22 THR A 101 2.360 1.859 7.455 1.00 0.00 H new ATOM 0 HG23 THR A 101 0.876 0.908 7.700 1.00 0.00 H new ATOM 1493 N ASP A 102 4.219 0.482 11.210 1.00 0.00 N ATOM 1494 CA ASP A 102 4.903 0.263 12.479 1.00 0.00 C ATOM 1495 C ASP A 102 4.345 1.179 13.564 1.00 0.00 C ATOM 1496 O ASP A 102 4.666 1.030 14.743 1.00 0.00 O ATOM 1497 CB ASP A 102 6.406 0.505 12.321 1.00 0.00 C ATOM 1498 CG ASP A 102 7.183 0.175 13.580 1.00 0.00 C ATOM 1499 OD1 ASP A 102 7.577 -0.999 13.744 1.00 0.00 O ATOM 1500 OD2 ASP A 102 7.398 1.090 14.402 1.00 0.00 O ATOM 0 H ASP A 102 4.309 1.428 10.839 1.00 0.00 H new ATOM 0 HA ASP A 102 4.735 -0.772 12.778 1.00 0.00 H new ATOM 0 HB2 ASP A 102 6.783 -0.100 11.496 1.00 0.00 H new ATOM 0 HB3 ASP A 102 6.577 1.548 12.056 1.00 0.00 H new ATOM 1505 N ARG A 103 3.505 2.125 13.156 1.00 0.00 N ATOM 1506 CA ARG A 103 2.910 3.071 14.093 1.00 0.00 C ATOM 1507 C ARG A 103 1.442 3.319 13.757 1.00 0.00 C ATOM 1508 O ARG A 103 0.994 3.040 12.645 1.00 0.00 O ATOM 1509 CB ARG A 103 3.678 4.395 14.065 1.00 0.00 C ATOM 1510 CG ARG A 103 5.187 4.222 13.983 1.00 0.00 C ATOM 1511 CD ARG A 103 5.910 5.551 14.130 1.00 0.00 C ATOM 1512 NE ARG A 103 7.360 5.396 14.054 1.00 0.00 N ATOM 1513 CZ ARG A 103 8.203 6.412 13.889 1.00 0.00 C ATOM 1514 NH1 ARG A 103 7.742 7.650 13.781 1.00 0.00 N ATOM 1515 NH2 ARG A 103 9.509 6.187 13.831 1.00 0.00 N ATOM 0 H ARG A 103 3.222 2.257 12.185 1.00 0.00 H new ATOM 0 HA ARG A 103 2.969 2.641 15.093 1.00 0.00 H new ATOM 0 HB2 ARG A 103 3.341 4.983 13.211 1.00 0.00 H new ATOM 0 HB3 ARG A 103 3.434 4.966 14.961 1.00 0.00 H new ATOM 0 HG2 ARG A 103 5.519 3.538 14.764 1.00 0.00 H new ATOM 0 HG3 ARG A 103 5.451 3.767 13.028 1.00 0.00 H new ATOM 0 HD2 ARG A 103 5.577 6.233 13.348 1.00 0.00 H new ATOM 0 HD3 ARG A 103 5.643 6.005 15.084 1.00 0.00 H new ATOM 0 HE ARG A 103 7.748 4.456 14.132 1.00 0.00 H new ATOM 0 HH11 ARG A 103 6.738 7.826 13.824 1.00 0.00 H new ATOM 0 HH12 ARG A 103 8.391 8.427 13.655 1.00 0.00 H new ATOM 0 HH21 ARG A 103 9.867 5.235 13.913 1.00 0.00 H new ATOM 0 HH22 ARG A 103 10.156 6.966 13.704 1.00 0.00 H new ATOM 1529 N VAL A 104 0.701 3.844 14.726 1.00 0.00 N ATOM 1530 CA VAL A 104 -0.714 4.134 14.535 1.00 0.00 C ATOM 1531 C VAL A 104 -0.907 5.344 13.625 1.00 0.00 C ATOM 1532 O VAL A 104 -1.916 5.458 12.931 1.00 0.00 O ATOM 1533 CB VAL A 104 -1.421 4.396 15.881 1.00 0.00 C ATOM 1534 CG1 VAL A 104 -2.910 4.632 15.671 1.00 0.00 C ATOM 1535 CG2 VAL A 104 -1.190 3.237 16.838 1.00 0.00 C ATOM 0 H VAL A 104 1.058 4.078 15.653 1.00 0.00 H new ATOM 0 HA VAL A 104 -1.158 3.256 14.067 1.00 0.00 H new ATOM 0 HB VAL A 104 -0.994 5.297 16.323 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -3.389 4.815 16.633 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -3.054 5.498 15.024 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -3.356 3.753 15.205 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -1.696 3.439 17.782 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -1.587 2.320 16.402 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -0.121 3.120 17.017 1.00 0.00 H new ATOM 1545 N GLU A 105 0.073 6.244 13.633 1.00 0.00 N ATOM 1546 CA GLU A 105 0.013 7.446 12.809 1.00 0.00 C ATOM 1547 C GLU A 105 0.171 7.105 11.332 1.00 0.00 C ATOM 1548 O GLU A 105 -0.653 7.497 10.508 1.00 0.00 O ATOM 1549 CB GLU A 105 1.097 8.439 13.237 1.00 0.00 C ATOM 1550 CG GLU A 105 0.971 8.895 14.681 1.00 0.00 C ATOM 1551 CD GLU A 105 -0.341 9.604 14.956 1.00 0.00 C ATOM 1552 OE1 GLU A 105 -0.394 10.840 14.792 1.00 0.00 O ATOM 1553 OE2 GLU A 105 -1.317 8.921 15.336 1.00 0.00 O ATOM 0 H GLU A 105 0.917 6.163 14.200 1.00 0.00 H new ATOM 0 HA GLU A 105 -0.966 7.904 12.952 1.00 0.00 H new ATOM 0 HB2 GLU A 105 2.075 7.980 13.094 1.00 0.00 H new ATOM 0 HB3 GLU A 105 1.056 9.311 12.585 1.00 0.00 H new ATOM 0 HG2 GLU A 105 1.058 8.031 15.340 1.00 0.00 H new ATOM 0 HG3 GLU A 105 1.798 9.563 14.921 1.00 0.00 H new ATOM 1560 N GLU A 106 1.235 6.378 11.002 1.00 0.00 N ATOM 1561 CA GLU A 106 1.487 5.988 9.618 1.00 0.00 C ATOM 1562 C GLU A 106 0.335 5.143 9.091 1.00 0.00 C ATOM 1563 O GLU A 106 0.029 5.162 7.899 1.00 0.00 O ATOM 1564 CB GLU A 106 2.794 5.196 9.502 1.00 0.00 C ATOM 1565 CG GLU A 106 3.901 5.697 10.412 1.00 0.00 C ATOM 1566 CD GLU A 106 5.258 5.128 10.045 1.00 0.00 C ATOM 1567 OE1 GLU A 106 5.612 4.052 10.570 1.00 0.00 O ATOM 1568 OE2 GLU A 106 5.966 5.761 9.233 1.00 0.00 O ATOM 0 H GLU A 106 1.933 6.049 11.669 1.00 0.00 H new ATOM 0 HA GLU A 106 1.573 6.897 9.023 1.00 0.00 H new ATOM 0 HB2 GLU A 106 2.594 4.149 9.732 1.00 0.00 H new ATOM 0 HB3 GLU A 106 3.141 5.235 8.469 1.00 0.00 H new ATOM 0 HG2 GLU A 106 3.942 6.785 10.364 1.00 0.00 H new ATOM 0 HG3 GLU A 106 3.667 5.432 11.443 1.00 0.00 H new ATOM 1575 N LEU A 107 -0.297 4.400 9.993 1.00 0.00 N ATOM 1576 CA LEU A 107 -1.416 3.543 9.628 1.00 0.00 C ATOM 1577 C LEU A 107 -2.614 4.375 9.193 1.00 0.00 C ATOM 1578 O LEU A 107 -3.118 4.229 8.082 1.00 0.00 O ATOM 1579 CB LEU A 107 -1.815 2.661 10.814 1.00 0.00 C ATOM 1580 CG LEU A 107 -2.790 1.532 10.481 1.00 0.00 C ATOM 1581 CD1 LEU A 107 -2.036 0.233 10.268 1.00 0.00 C ATOM 1582 CD2 LEU A 107 -3.824 1.369 11.584 1.00 0.00 C ATOM 0 H LEU A 107 -0.052 4.375 10.983 1.00 0.00 H new ATOM 0 HA LEU A 107 -1.102 2.914 8.795 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -0.913 2.226 11.244 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -2.262 3.292 11.582 1.00 0.00 H new ATOM 0 HG LEU A 107 -3.312 1.790 9.560 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -2.742 -0.563 10.032 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -1.333 0.351 9.443 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -1.490 -0.024 11.176 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -4.507 0.560 11.326 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -3.321 1.134 12.522 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -4.386 2.296 11.696 1.00 0.00 H new ATOM 1594 N PHE A 108 -3.053 5.262 10.074 1.00 0.00 N ATOM 1595 CA PHE A 108 -4.199 6.114 9.795 1.00 0.00 C ATOM 1596 C PHE A 108 -3.904 7.100 8.669 1.00 0.00 C ATOM 1597 O PHE A 108 -4.803 7.514 7.952 1.00 0.00 O ATOM 1598 CB PHE A 108 -4.608 6.877 11.055 1.00 0.00 C ATOM 1599 CG PHE A 108 -6.039 6.658 11.454 1.00 0.00 C ATOM 1600 CD1 PHE A 108 -6.393 5.577 12.246 1.00 0.00 C ATOM 1601 CD2 PHE A 108 -7.030 7.532 11.038 1.00 0.00 C ATOM 1602 CE1 PHE A 108 -7.709 5.373 12.617 1.00 0.00 C ATOM 1603 CE2 PHE A 108 -8.347 7.333 11.404 1.00 0.00 C ATOM 1604 CZ PHE A 108 -8.688 6.252 12.194 1.00 0.00 C ATOM 0 H PHE A 108 -2.631 5.410 10.991 1.00 0.00 H new ATOM 0 HA PHE A 108 -5.019 5.471 9.476 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -3.960 6.576 11.878 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -4.444 7.942 10.894 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -5.632 4.886 12.577 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -6.770 8.379 10.420 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -7.972 4.528 13.236 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -9.110 8.022 11.073 1.00 0.00 H new ATOM 0 HZ PHE A 108 -9.717 6.094 12.480 1.00 0.00 H new ATOM 1614 N GLU A 109 -2.641 7.465 8.510 1.00 0.00 N ATOM 1615 CA GLU A 109 -2.255 8.424 7.480 1.00 0.00 C ATOM 1616 C GLU A 109 -2.271 7.806 6.081 1.00 0.00 C ATOM 1617 O GLU A 109 -2.991 8.268 5.192 1.00 0.00 O ATOM 1618 CB GLU A 109 -0.860 8.975 7.784 1.00 0.00 C ATOM 1619 CG GLU A 109 -0.378 10.012 6.785 1.00 0.00 C ATOM 1620 CD GLU A 109 -1.237 11.261 6.778 1.00 0.00 C ATOM 1621 OE1 GLU A 109 -2.215 11.304 6.003 1.00 0.00 O ATOM 1622 OE2 GLU A 109 -0.932 12.196 7.546 1.00 0.00 O ATOM 0 H GLU A 109 -1.868 7.115 9.076 1.00 0.00 H new ATOM 0 HA GLU A 109 -2.988 9.231 7.492 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -0.864 9.418 8.780 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -0.150 8.148 7.806 1.00 0.00 H new ATOM 0 HG2 GLU A 109 0.651 10.285 7.019 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -0.373 9.574 5.787 1.00 0.00 H new ATOM 1629 N TRP A 110 -1.488 6.751 5.899 1.00 0.00 N ATOM 1630 CA TRP A 110 -1.382 6.083 4.605 1.00 0.00 C ATOM 1631 C TRP A 110 -2.661 5.346 4.217 1.00 0.00 C ATOM 1632 O TRP A 110 -3.163 5.504 3.104 1.00 0.00 O ATOM 1633 CB TRP A 110 -0.217 5.094 4.627 1.00 0.00 C ATOM 1634 CG TRP A 110 1.076 5.682 4.153 1.00 0.00 C ATOM 1635 CD1 TRP A 110 2.080 6.190 4.927 1.00 0.00 C ATOM 1636 CD2 TRP A 110 1.505 5.820 2.795 1.00 0.00 C ATOM 1637 NE1 TRP A 110 3.108 6.634 4.130 1.00 0.00 N ATOM 1638 CE2 TRP A 110 2.777 6.418 2.818 1.00 0.00 C ATOM 1639 CE3 TRP A 110 0.936 5.495 1.560 1.00 0.00 C ATOM 1640 CZ2 TRP A 110 3.490 6.697 1.657 1.00 0.00 C ATOM 1641 CZ3 TRP A 110 1.644 5.773 0.407 1.00 0.00 C ATOM 1642 CH2 TRP A 110 2.910 6.369 0.463 1.00 0.00 C ATOM 0 H TRP A 110 -0.914 6.337 6.633 1.00 0.00 H new ATOM 0 HA TRP A 110 -1.211 6.859 3.859 1.00 0.00 H new ATOM 0 HB2 TRP A 110 -0.086 4.721 5.643 1.00 0.00 H new ATOM 0 HB3 TRP A 110 -0.467 4.236 4.003 1.00 0.00 H new ATOM 0 HD1 TRP A 110 2.068 6.236 6.006 1.00 0.00 H new ATOM 0 HE1 TRP A 110 3.976 7.056 4.461 1.00 0.00 H new ATOM 0 HE3 TRP A 110 -0.040 5.035 1.508 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 4.467 7.156 1.697 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 1.214 5.527 -0.553 1.00 0.00 H new ATOM 0 HH2 TRP A 110 3.439 6.574 -0.456 1.00 0.00 H new ATOM 1653 N PHE A 111 -3.184 4.546 5.135 1.00 0.00 N ATOM 1654 CA PHE A 111 -4.381 3.753 4.868 1.00 0.00 C ATOM 1655 C PHE A 111 -5.626 4.610 4.681 1.00 0.00 C ATOM 1656 O PHE A 111 -6.426 4.345 3.784 1.00 0.00 O ATOM 1657 CB PHE A 111 -4.570 2.723 5.972 1.00 0.00 C ATOM 1658 CG PHE A 111 -3.478 1.694 5.939 1.00 0.00 C ATOM 1659 CD1 PHE A 111 -3.252 0.967 4.782 1.00 0.00 C ATOM 1660 CD2 PHE A 111 -2.665 1.470 7.034 1.00 0.00 C ATOM 1661 CE1 PHE A 111 -2.238 0.039 4.718 1.00 0.00 C ATOM 1662 CE2 PHE A 111 -1.648 0.535 6.977 1.00 0.00 C ATOM 1663 CZ PHE A 111 -1.434 -0.180 5.817 1.00 0.00 C ATOM 0 H PHE A 111 -2.800 4.427 6.072 1.00 0.00 H new ATOM 0 HA PHE A 111 -4.234 3.236 3.920 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -4.577 3.221 6.942 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -5.538 2.235 5.858 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -3.880 1.131 3.919 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -2.826 2.031 7.943 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -2.072 -0.518 3.808 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -1.022 0.365 7.840 1.00 0.00 H new ATOM 0 HZ PHE A 111 -0.639 -0.909 5.769 1.00 0.00 H new ATOM 1673 N GLN A 112 -5.803 5.629 5.513 1.00 0.00 N ATOM 1674 CA GLN A 112 -6.962 6.496 5.370 1.00 0.00 C ATOM 1675 C GLN A 112 -6.929 7.164 4.002 1.00 0.00 C ATOM 1676 O GLN A 112 -7.967 7.383 3.384 1.00 0.00 O ATOM 1677 CB GLN A 112 -6.994 7.544 6.478 1.00 0.00 C ATOM 1678 CG GLN A 112 -8.258 8.378 6.499 1.00 0.00 C ATOM 1679 CD GLN A 112 -9.512 7.540 6.650 1.00 0.00 C ATOM 1680 OE1 GLN A 112 -9.961 7.268 7.763 1.00 0.00 O ATOM 1681 NE2 GLN A 112 -10.085 7.126 5.526 1.00 0.00 N ATOM 0 H GLN A 112 -5.173 5.871 6.278 1.00 0.00 H new ATOM 0 HA GLN A 112 -7.867 5.895 5.454 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -6.884 7.044 7.440 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -6.136 8.206 6.363 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -8.203 9.092 7.320 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -8.322 8.956 5.577 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -9.678 7.375 4.624 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -10.932 6.559 5.564 1.00 0.00 H new ATOM 1690 N SER A 113 -5.721 7.480 3.536 1.00 0.00 N ATOM 1691 CA SER A 113 -5.547 8.098 2.227 1.00 0.00 C ATOM 1692 C SER A 113 -5.902 7.102 1.128 1.00 0.00 C ATOM 1693 O SER A 113 -6.609 7.440 0.180 1.00 0.00 O ATOM 1694 CB SER A 113 -4.109 8.589 2.050 1.00 0.00 C ATOM 1695 OG SER A 113 -3.927 9.192 0.782 1.00 0.00 O ATOM 0 H SER A 113 -4.852 7.318 4.046 1.00 0.00 H new ATOM 0 HA SER A 113 -6.215 8.957 2.157 1.00 0.00 H new ATOM 0 HB2 SER A 113 -3.867 9.306 2.835 1.00 0.00 H new ATOM 0 HB3 SER A 113 -3.420 7.752 2.160 1.00 0.00 H new ATOM 0 HG SER A 113 -3.055 8.933 0.419 1.00 0.00 H new ATOM 1701 N ILE A 114 -5.402 5.869 1.255 1.00 0.00 N ATOM 1702 CA ILE A 114 -5.704 4.830 0.278 1.00 0.00 C ATOM 1703 C ILE A 114 -7.215 4.679 0.167 1.00 0.00 C ATOM 1704 O ILE A 114 -7.752 4.382 -0.900 1.00 0.00 O ATOM 1705 CB ILE A 114 -5.073 3.469 0.658 1.00 0.00 C ATOM 1706 CG1 ILE A 114 -3.542 3.552 0.597 1.00 0.00 C ATOM 1707 CG2 ILE A 114 -5.586 2.369 -0.265 1.00 0.00 C ATOM 1708 CD1 ILE A 114 -2.836 2.248 0.932 1.00 0.00 C ATOM 0 H ILE A 114 -4.793 5.572 2.018 1.00 0.00 H new ATOM 0 HA ILE A 114 -5.276 5.132 -0.678 1.00 0.00 H new ATOM 0 HB ILE A 114 -5.364 3.226 1.680 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -3.245 3.867 -0.404 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -3.203 4.324 1.288 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -5.133 1.418 0.015 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -6.670 2.295 -0.175 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -5.323 2.607 -1.296 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -1.757 2.391 0.866 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -3.100 1.941 1.944 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -3.143 1.476 0.226 1.00 0.00 H new ATOM 1720 N ARG A 115 -7.889 4.894 1.294 1.00 0.00 N ATOM 1721 CA ARG A 115 -9.341 4.819 1.351 1.00 0.00 C ATOM 1722 C ARG A 115 -9.942 6.072 0.727 1.00 0.00 C ATOM 1723 O ARG A 115 -10.979 6.023 0.069 1.00 0.00 O ATOM 1724 CB ARG A 115 -9.806 4.678 2.802 1.00 0.00 C ATOM 1725 CG ARG A 115 -9.496 3.323 3.417 1.00 0.00 C ATOM 1726 CD ARG A 115 -10.093 3.197 4.809 1.00 0.00 C ATOM 1727 NE ARG A 115 -9.858 1.878 5.390 1.00 0.00 N ATOM 1728 CZ ARG A 115 -10.589 1.366 6.376 1.00 0.00 C ATOM 1729 NH1 ARG A 115 -11.594 2.062 6.891 1.00 0.00 N ATOM 1730 NH2 ARG A 115 -10.315 0.159 6.848 1.00 0.00 N ATOM 0 H ARG A 115 -7.446 5.123 2.184 1.00 0.00 H new ATOM 0 HA ARG A 115 -9.676 3.945 0.793 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -9.334 5.456 3.402 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -10.881 4.850 2.847 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -9.890 2.533 2.778 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -8.416 3.183 3.468 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -9.663 3.960 5.458 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -11.165 3.386 4.762 1.00 0.00 H new ATOM 0 HE ARG A 115 -9.090 1.318 5.019 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -11.808 2.992 6.531 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -12.153 1.667 7.647 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -9.543 -0.379 6.455 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -10.876 -0.232 7.604 1.00 0.00 H new ATOM 1744 N GLU A 116 -9.270 7.197 0.940 1.00 0.00 N ATOM 1745 CA GLU A 116 -9.709 8.474 0.396 1.00 0.00 C ATOM 1746 C GLU A 116 -9.772 8.411 -1.126 1.00 0.00 C ATOM 1747 O GLU A 116 -10.411 9.242 -1.770 1.00 0.00 O ATOM 1748 CB GLU A 116 -8.755 9.589 0.838 1.00 0.00 C ATOM 1749 CG GLU A 116 -8.986 10.063 2.263 1.00 0.00 C ATOM 1750 CD GLU A 116 -8.018 11.153 2.681 1.00 0.00 C ATOM 1751 OE1 GLU A 116 -8.320 12.340 2.438 1.00 0.00 O ATOM 1752 OE2 GLU A 116 -6.958 10.820 3.251 1.00 0.00 O ATOM 0 H GLU A 116 -8.413 7.249 1.490 1.00 0.00 H new ATOM 0 HA GLU A 116 -10.707 8.690 0.776 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -7.728 9.235 0.745 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -8.863 10.436 0.161 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -10.007 10.433 2.357 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -8.890 9.217 2.943 1.00 0.00 H new ATOM 1759 N ILE A 117 -9.097 7.414 -1.693 1.00 0.00 N ATOM 1760 CA ILE A 117 -9.053 7.235 -3.138 1.00 0.00 C ATOM 1761 C ILE A 117 -9.969 6.100 -3.601 1.00 0.00 C ATOM 1762 O ILE A 117 -10.376 6.061 -4.763 1.00 0.00 O ATOM 1763 CB ILE A 117 -7.614 6.948 -3.613 1.00 0.00 C ATOM 1764 CG1 ILE A 117 -6.661 8.023 -3.080 1.00 0.00 C ATOM 1765 CG2 ILE A 117 -7.558 6.883 -5.132 1.00 0.00 C ATOM 1766 CD1 ILE A 117 -5.204 7.755 -3.388 1.00 0.00 C ATOM 0 H ILE A 117 -8.571 6.715 -1.168 1.00 0.00 H new ATOM 0 HA ILE A 117 -9.405 8.167 -3.580 1.00 0.00 H new ATOM 0 HB ILE A 117 -7.300 5.981 -3.221 1.00 0.00 H new ATOM 0 HG12 ILE A 117 -6.941 8.987 -3.505 1.00 0.00 H new ATOM 0 HG13 ILE A 117 -6.786 8.103 -2.000 1.00 0.00 H new ATOM 0 HG21 ILE A 117 -6.535 6.680 -5.450 1.00 0.00 H new ATOM 0 HG22 ILE A 117 -8.213 6.087 -5.487 1.00 0.00 H new ATOM 0 HG23 ILE A 117 -7.885 7.835 -5.549 1.00 0.00 H new ATOM 0 HD11 ILE A 117 -4.592 8.559 -2.979 1.00 0.00 H new ATOM 0 HD12 ILE A 117 -4.906 6.807 -2.939 1.00 0.00 H new ATOM 0 HD13 ILE A 117 -5.064 7.705 -4.468 1.00 0.00 H new ATOM 1778 N THR A 118 -10.301 5.183 -2.694 1.00 0.00 N ATOM 1779 CA THR A 118 -11.154 4.051 -3.038 1.00 0.00 C ATOM 1780 C THR A 118 -12.492 4.147 -2.322 1.00 0.00 C ATOM 1781 O THR A 118 -13.550 4.155 -2.950 1.00 0.00 O ATOM 1782 CB THR A 118 -10.487 2.711 -2.676 1.00 0.00 C ATOM 1783 OG1 THR A 118 -10.217 2.661 -1.269 1.00 0.00 O ATOM 1784 CG2 THR A 118 -9.191 2.523 -3.450 1.00 0.00 C ATOM 0 H THR A 118 -9.994 5.202 -1.722 1.00 0.00 H new ATOM 0 HA THR A 118 -11.312 4.086 -4.116 1.00 0.00 H new ATOM 0 HB THR A 118 -11.173 1.907 -2.944 1.00 0.00 H new ATOM 0 HG1 THR A 118 -9.348 3.076 -1.088 1.00 0.00 H new ATOM 0 HG21 THR A 118 -8.739 1.569 -3.177 1.00 0.00 H new ATOM 0 HG22 THR A 118 -9.401 2.532 -4.519 1.00 0.00 H new ATOM 0 HG23 THR A 118 -8.503 3.333 -3.209 1.00 0.00 H new ATOM 1792 N TRP A 119 -12.427 4.216 -1.001 1.00 0.00 N ATOM 1793 CA TRP A 119 -13.616 4.324 -0.172 1.00 0.00 C ATOM 1794 C TRP A 119 -14.448 5.540 -0.564 1.00 0.00 C ATOM 1795 O TRP A 119 -15.639 5.615 -0.261 1.00 0.00 O ATOM 1796 CB TRP A 119 -13.209 4.422 1.295 1.00 0.00 C ATOM 1797 CG TRP A 119 -13.191 3.100 1.994 1.00 0.00 C ATOM 1798 CD1 TRP A 119 -12.386 2.037 1.706 1.00 0.00 C ATOM 1799 CD2 TRP A 119 -14.013 2.697 3.095 1.00 0.00 C ATOM 1800 NE1 TRP A 119 -12.657 0.996 2.560 1.00 0.00 N ATOM 1801 CE2 TRP A 119 -13.650 1.377 3.423 1.00 0.00 C ATOM 1802 CE3 TRP A 119 -15.018 3.324 3.837 1.00 0.00 C ATOM 1803 CZ2 TRP A 119 -14.259 0.674 4.460 1.00 0.00 C ATOM 1804 CZ3 TRP A 119 -15.621 2.625 4.865 1.00 0.00 C ATOM 1805 CH2 TRP A 119 -15.240 1.312 5.169 1.00 0.00 C ATOM 0 H TRP A 119 -11.553 4.199 -0.476 1.00 0.00 H new ATOM 0 HA TRP A 119 -14.226 3.433 -0.324 1.00 0.00 H new ATOM 0 HB2 TRP A 119 -12.219 4.873 1.361 1.00 0.00 H new ATOM 0 HB3 TRP A 119 -13.898 5.089 1.812 1.00 0.00 H new ATOM 0 HD1 TRP A 119 -11.644 2.017 0.921 1.00 0.00 H new ATOM 0 HE1 TRP A 119 -12.194 0.087 2.553 1.00 0.00 H new ATOM 0 HE3 TRP A 119 -15.318 4.337 3.611 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 -13.967 -0.339 4.696 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 -16.400 3.099 5.444 1.00 0.00 H new ATOM 0 HH2 TRP A 119 -15.730 0.793 5.979 1.00 0.00 H new